LeMaterial
/
LeMat-Bulk
elements
listlengths
1
9
nsites
int32
1
444
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
23
chemical_formula_descriptive
stringlengths
2
34
nelements
int8
1
9
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
4
13
⌀
cartesian_site_positions
listlengths
1
444
species
stringlengths
138
1.25k
species_at_sites
listlengths
1
444
last_modified
stringlengths
19
19
elements_ratios
listlengths
1
9
stress_tensor
listlengths
0
3
energy
float64
-2,749.01
5.19k
magnetic_moments
listlengths
0
444
forces
listlengths
0
444
total_magnetization
float64
-340.3
383
⌀
dos_ef
float64
-14.23
392
⌀
functional
stringclasses
1 value
cross_compatibility
bool
1 class
entalpic_fingerprint
stringlengths
37
62
⌀
[ "B", "H", "K", "O", "P" ]
104
A14B6C4DE
B6H4KO14P
B24 H16 K4 O56 P4
5
[ 1, 1, 1 ]
3
[ [ 12.27398109, 0, 0 ], [ 0, 12.27398009, 0 ], [ 0, 0, 7.68284237 ] ]
mp-758840
[ [ 3.0684952725, 3.0684950225, 6.824034197662814 ], [ 3.0684952725, 3.0684950225, 2.9826130126628145 ], [ 9.2054858175, 9.2054850675, 0.8588081723371858 ], [ 9.2054858175, 9.2054850675, 4.700229357337186 ], [ 0.6610417634011044, 0.87540394880037...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "K", "K", "K", "K", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "...
2014-05-31 18:36:24
[ 0.23076923076923078, 0.15384615384615385, 0.038461538461538464, 0.5384615384615384, 0.038461538461538464 ]
[]
-736.195541
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
-0.058607
pbe
true
08e77c9cf60eaab5a4d8bb0bf2f697ae_130_K4B24P4H16O56
[ "B", "H", "Li", "Mg", "N" ]
188
A34B6C4D2E
B4H34Li2MgN6
B16 H136 Li8 Mg4 N24
5
[ 1, 1, 1 ]
3
[ [ 10.8457114, 0, 0 ], [ 0, 10.8457114, 0 ], [ 0, 0, 13.96244949 ] ]
mp-1199747
[ [ 5.350902430687436, 0.0033970937247080005, 5.1914808292561565 ], [ 5.494808969312564, 10.842314306275293, 12.172705574256156 ], [ 5.426252793724708, 0.071953269312564, 8.682093201756157 ], [ 5.419458606275293, 10.773758130687437, 1.7008684567561565 ], ...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mg", "Mg", "Mg", "Mg", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H"...
2019-01-12 04:17:01
[ 0.0851063829787234, 0.723404255319149, 0.0425531914893617, 0.02127659574468085, 0.1276595744680851 ]
[ [ -0.91431555, 0, 0 ], [ 0, -0.91431555, 0 ], [ 0, 0, -0.66855471 ] ]
-855.561732
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ -0.04276025, -0.03175656, 0.07339657 ], [ 0.04276025, 0.03175656, 0.07339657 ], [ -0.03175656, 0.04276025, 0.07339657 ], [ 0.03175656, -0.04276025, 0.07339657 ], [ 0.03175656, 0.04276025, -0.07339657 ], [ -0.03175656, -0.04276...
0
-2.740263
pbe
true
7c816a9c3f0652c4eb20ae2d606f8442_96_Li8Mg4B16H136N24
[ "B", "H", "Mg", "O", "P" ]
102
A8B6CDE
BH6MgO8P
Mg6 B6 P6 H36 O48
5
[ 1, 1, 1 ]
3
[ [ 9.85715612, -0.02371317, -0.02871319 ], [ -1.59045026, 9.72802945, -0.02871319 ], [ -1.59045026, -1.86703539, 9.54722789 ] ]
agm003280152
[ [ 0.8553631346351269, 1.041541157466696, 7.1460643225 ], [ 0.07861364000000032, 5.90853087549722, 7.116252828912756 ], [ 5.783941194635127, 1.0109709494694752, 7.147162626087244 ], [ 0.8923144053648735, 6.826309940530524, 2.3426388839127554 ], [ 6....
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "B", "B", "B", "B", "B", "B", "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H...
2023-11-16 06:57:59
[ 0.058823529411764705, 0.35294117647058826, 0.058823529411764705, 0.47058823529411764, 0.058823529411764705 ]
[ [ 0.70224136, -0.15520631, -0.18793215 ], [ -0.15520631, 0.6522579, -0.22061424 ], [ -0.18793215, -0.22061424, 0.56732357 ] ]
-619.794732
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ -0.00734039, 0.00625298, 0 ], [ 0, 0.00743495, -0.00614025 ], [ -0.00734039, -0.00118197, 0.00614025 ], [ 0.00734039, 0.00118197, -0.00614025 ], [ 0, -0.00743495, 0.00614025 ], [ 0.00734039, -0.00625298, 0 ], [ -0....
-0.000008
0
pbe
true
b87b372bed9f78873c26bdbd6f8489ab_167_Mg6B6P6H36O48
[ "B", "H", "O", "P", "Rb" ]
60
A9B2C2DE
B2HO9P2Rb
B8 H4 O36 P8 Rb4
5
[ 1, 1, 1 ]
3
[ [ 6.8635493, 0, -0.01787611 ], [ 0, 12.30746778, 0 ], [ -1.16172598, 0, 8.87165397 ] ]
mp-758281
[ [ 0.9287361752643666, 7.636220813913743, 7.184115531559936 ], [ 1.5095991652643665, 10.824980856086256, 2.748288546559935 ], [ 4.192224154735634, 1.4824869239137426, 6.1054893134400645 ], [ 4.773087144735633, 4.671246966086257, 1.6696623284400647 ], [ ...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Rb", "Rb", "B", "B", "B", "B", "B", "B", "B", "B", "P", "P", "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O",...
2014-05-30 07:49:15
[ 0.13333333333333333, 0.06666666666666667, 0.6, 0.13333333333333333, 0.06666666666666667 ]
[]
-424.679522
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
0.331652
pbe
true
cd1cec441e3fdeeb847ef0c67f39e740_14_Rb4B8P8H4O36
[ "Se", "Te", "Ti" ]
3
ABC
SeTeTi
Se1 Te1 Ti1
3
[ 1, 1, 1 ]
3
[ [ -1.83276599, -3.17450028, 0.00003157 ], [ -3.66558062, 0.00002809, 0.00003157 ], [ 0.00003272, 0.00001889, -6.56202401 ] ]
mp-1216648
[ [ 0.00010415326059970001, 0.00006013289850610001, -0.1462739471540932 ], [ -1.832649910215551, -1.0580810178623636, -4.870810248114371 ], [ -3.6657681330450487, -2.1164324150361424, -1.544876674731536 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ti", "Te", "Se" ]
2019-01-12 18:07:15
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.18792148, 0.00935888, -0.0162225 ], [ 0.00935888, 5.17711575, -0.00936606 ], [ -0.01622259, -0.00936611, 7.03701716 ] ]
-17.265435
[ 0, 0, 0 ]
[ [ 0.00154199, 0.00089027, 0.03935747 ], [ -0.00153843, -0.00088821, -0.01361247 ], [ -0.00000355, -0.00000205, -0.025745 ] ]
0
4.96031
pbe
true
c003a7dc04a37099083eeb95d7fd7235_156_Ti1Te1Se1
[ "B", "K", "Li", "Nd", "O" ]
86
A21B9C7D3E3
B7K9Li3Nd3O21
B14 K18 Li6 Nd6 O42
5
[ 1, 1, 1 ]
3
[ [ 0, -10.2087513, 0 ], [ -10.47637371, 0, 4.9436426 ], [ -0.02042343, 0, -11.71945523 ] ]
mp-1195894
[ [ -4.371124283260601, -0.731226414953133, 1.0361623482838425 ], [ -6.125672856739399, -9.477524885046867, -7.811974978283841 ], [ -0.8772742867393992, -0.731226414953133, -4.424068663283841 ], [ -9.6195228532606, -9.477524885046867, -2.3517439667161577 ]...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Li", "Li", "Li", "Li", "Li", "Li", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B"...
2019-01-12 01:10:21
[ 0.16279069767441862, 0.20930232558139536, 0.06976744186046512, 0.06976744186046512, 0.4883720930232558 ]
[ [ 1.33990209, 0, 0.8940069 ], [ 0, 0.31171032, 0 ], [ 0.89400668, 0, 0.6616281 ] ]
-570.774025
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ -0.02696787, 0.0005778, 0.00887574 ], [ 0.02696787, -0.0005778, -0.00887574 ], [ 0.02696787, 0.0005778, -0.00887574 ], [ -0.02696787, -0.0005778, 0.00887574 ], [ 0.01011708, -0.01921542, -0.02720963 ], [ -0.01011708, 0.0192154...
0
0.590953
pbe
true
a2342f057f079afcb62d284af1a9f53f_13_K18Li6Nd6B14O42
[ "B", "K", "Na", "O", "Sr" ]
76
A40B20C9D4E3
B20K3Na9O40Sr4
B20 K3 Na9 O40 Sr4
5
[ 1, 1, 1 ]
3
[ [ 7.07898469, 0.00428587, 2.4411781 ], [ -0.39492587, 13.68838468, 0.44967474 ], [ -0.01449083, 0.02239815, 9.88294364 ] ]
mp-1224320
[ [ 5.972301945327599, 11.988755087677816, 8.135910747826482 ], [ 0.6965649259369746, 1.725846187016969, 4.641393080201872 ], [ 4.035704975595679, 8.564129342156912, 6.0856800542320375 ], [ 0.1812132030689848, 3.3203247007518577, 1.3026181836483424 ], [ ...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "K", "K", "K", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Sr", "Sr", "Sr", "Sr", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "O", "O", "O", "O", "O", "O", "O", "O...
2019-01-13 00:35:12
[ 0.2631578947368421, 0.039473684210526314, 0.11842105263157894, 0.5263157894736842, 0.05263157894736842 ]
[ [ -1.96446724, 0.03946524, -0.07504874 ], [ 0.03946496, -1.5020002, -0.05970898 ], [ -0.07504864, -0.05970925, -0.01964475 ] ]
-539.657063
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ -0.00636773, -0.03579234, -0.02236748 ], [ -0.00366653, 0.02733505, 0.02979518 ], [ 0.01441713, 0.02637465, 0.03164653 ], [ -0.03325586, 0.00370942, -0.01320039 ], [ -0.03328333, -0.00868692, 0.01267631 ], [ 0.05165632, 0.0043...
0
0.336386
pbe
true
f18befb3e5f3337c1dcb4590b268694c_1_K3Na9Sr4B20O40
[ "Cu", "In", "Se", "Te", "Zr" ]
12
A2BCDE
CuInSeTe2Zr
Cu1 In1 Se1 Te2 Zr1
5
[ 1, 1, 1 ]
3
[ [ 1.992681837, -7.543324823, 0 ], [ 1.992681837, 7.543324823, 0 ], [ 0, 0, 10.314909123 ] ]
oqmd-4920784
[ [ 1.99268, 0.4499899999999961, 2.5787300000000006 ], [ 1.99268, -0.4499899999999961, 7.736179999999999 ], [ 1.9926800000000005, -3.5833400000000006, 2.5787300000000006 ], [ 1.9926800000000005, 3.583340000000001, 7.736179999999999 ], [ 1.99268000000...
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Cu", "Cu", "In", "In", "Se", "Se", "Te", "Te", "Te", "Te", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]
[ [ 6.56000434, 0, 0 ], [ 0, 4.05804614, 0 ], [ 0, 0, 4.89454118 ] ]
-57.0586
[ 0, 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0, -0.001, -0.001 ]
[ [ 0, 0.010902, 0 ], [ 0, -0.010902, 0 ], [ 0, 0.024655, 0 ], [ 0, -0.024655, 0 ], [ 0, 0.026911, 0 ], [ 0, -0.026911, 0 ], [ 0, -0.053549, 0.018046 ], [ 0, -0.053549, -0.018046 ], [ 0,...
-0.016538
null
pbe
true
71a83fc6814a1dda338ebb94f88663ac_63_Zr2In2Cu2Te4Se2
[ "Sm", "Tb", "Tm" ]
10
A3BC
Sm3TbTm
Tb2 Sm6 Tm2
3
[ 1, 1, 1 ]
3
[ [ 5.77776404, 0, -0.31608635 ], [ 0, 7.11294458, 0 ], [ -2.44366264, 0, 8.3013601 ] ]
agm003706889
[ [ 3.2325411053705864, 5.334708435, 6.100433038650703 ], [ 0.10156029462941402, 1.778236145, 1.8848407113492975 ], [ 3.05788602115107, 0.0012335268490636, 2.9311958373348075 ], [ 0.2762153788489301, 3.5577058168490634, 5.054077912665193 ], [ 3.22965...
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Tb", "Tb", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Tm", "Tm" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 1.1108772, 0, -0.01184147 ], [ 0, 1.0986097, 0 ], [ -0.01184137, 0, 1.1840925 ] ]
-45.219436
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00085301, 0, -0.00490107 ], [ 0.00085301, 0, 0.00490107 ], [ -0.00029959, 0.00032949, -0.00241644 ], [ 0.00029959, 0.00032949, 0.00241644 ], [ 0.00097918, 0, -0.00401354 ], [ -0.00097918, 0, 0.00401354 ], [ 0.00...
-0.000026
16.625338
pbe
true
f8fa251d058421c298095420f1573e07_63_Tb2Sm6Tm2
[ "Cu", "K", "Pd", "S", "Se" ]
12
A2BCDE
CuKPdSSe2
Cu1 K1 Pd1 S1 Se2
5
[ 1, 1, 1 ]
3
[ [ 1.91638018, -6.910591428, 0 ], [ 1.91638018, 6.910591428, 0 ], [ 0, 0, 10.202350285 ] ]
oqmd-4957125
[ [ 1.91638, -0.5736700000000039, 2.5505900000000024 ], [ 1.91638, 0.5736700000000039, 7.651760000000005 ], [ 1.91638, 3.3291500000000007, 2.5505900000000024 ], [ 1.91638, -3.3291500000000007, 7.651760000000005 ], [ 0, 0, 0 ], [ 0, ...
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Cu", "Cu", "K", "K", "Pd", "Pd", "S", "S", "Se", "Se", "Se", "Se" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]
[ [ -0.99145151, 0, 0 ], [ 0, -0.69504478, 0 ], [ 0, 0, 0.56913112 ] ]
-47.5906
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.015106, 0 ], [ 0, 0.015106, 0 ], [ 0, -0.036025, 0 ], [ 0, 0.036025, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.023267, 0 ], [ 0, 0.023267, 0 ], [ 0, 0.022541, -0.021644 ...
null
null
pbe
true
92762270c8097d144224ea5d34639967_63_K2Cu2Pd2Se4S2
[ "B", "Li", "Mn", "O", "Rb" ]
34
A9B3C2D2E
B3Li2Mn2O9Rb
B6 Li4 Mn4 O18 Rb2
5
[ 1, 1, 1 ]
3
[ [ 6.60860581, 0, 0.09870035 ], [ 0, 5.21608509, 0 ], [ -0.18542803, 0, 12.57228193 ] ]
mp-770725
[ [ -0.1390710225, 1.0951925413967523, 9.4292114475 ], [ -0.0463570075, 4.120892548603248, 3.1430704825 ], [ 3.124256200181351, 0.8060776721056719, 10.929232923244438 ], [ 3.2062075648186488, 0.8060776721056719, 8.027890321755564 ], [ 3.2169702151813...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "B", "B", "B", "B", "B", "B", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-17 21:22:52
[ 0.17647058823529413, 0.11764705882352941, 0.11764705882352941, 0.5294117647058824, 0.058823529411764705 ]
[]
-238.549243
[ 0, 0, 0.001, 0.001, 0.001, 0.001, 3.964, 3.964, 3.964, 3.964, 0.028, 0.028, 0.02, 0.02, 0.028, 0.028, -0.008, -0.008, -0.032, -0.032, -0.036, -0.036, -0.064, -0.063, -0.014, -0.014, -0.063, -0.064, -0.036, -0.036, -0.032, -0.032, -0.008, -0.008 ]
[]
15.426
0.423197
pbe
true
90da3a5b6c94c3a359e89f94e55ae197_13_Rb2Li4Mn4B6O18
[ "B", "Li", "O", "P", "Pb" ]
152
A11B4C2DE
BLiO11P2Pb4
B8 Li8 O88 P16 Pb32
5
[ 1, 1, 1 ]
3
[ [ 0, -6.64782326, 0 ], [ -12.80206393, 0, 0 ], [ 0, 0, -25.79404729 ] ]
mp-1203380
[ [ -3.125937175013867, -3.1404395524554465, -16.16561565443442 ], [ -9.526969140013867, -0.1834720775445532, -9.628431635565585 ], [ -9.676126754986132, -6.464351182455447, -22.525455280565584 ], [ -3.275094789986133, -3.5073837075445535, -3.268592009434416...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "B", "B", "B", "B", "B", "B", "B", "B", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb"...
2019-01-12 07:14:43
[ 0.05263157894736842, 0.05263157894736842, 0.5789473684210527, 0.10526315789473684, 0.21052631578947367 ]
[ [ 0.10777092, 0, 0 ], [ 0, -1.61788, 0 ], [ 0, 0, -1.15085809 ] ]
-1,004.345213
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ 0.13105692, 0.03745629, 0.00824816 ], [ 0.13105692, -0.03745629, -0.00824816 ], [ -0.13105692, 0.03745629, -0.00824816 ], [ -0.13105692, -0.03745629, 0.00824816 ], [ -0.13105692, -0.03745629, -0.00824816 ], [ -0.13105692, 0.03...
0
3.774319
pbe
true
7ecf7e5054dc50c6e62d820a3cf5f875_61_Li8B8P16Pb32O88
[ "B", "Li", "O", "S", "Sn" ]
58
A16B6C4D2E
B4Li6O16SSn2
B8 Li12 O32 S2 Sn4
5
[ 1, 1, 1 ]
3
[ [ 9.56676786, 0, 0 ], [ 4.78338393, 8.28506341, 0 ], [ 4.78338393, 2.7616878, 7.81123274 ] ]
mp-769001
[ [ 4.463847665076892, 5.707859941818147, 0.715503841682719 ], [ 4.463847665076892, 2.5772034656818534, 5.142920713317282 ], [ 7.175075895000001, 7.273188177052287, 5.142920713317282 ], [ 7.175075895000001, 1.0118752304477134, 0.715503841682719 ], [ ...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "B", "B", "B", "B", "B", "B", "B", "B", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-02-17 04:14:10
[ 0.13793103448275862, 0.20689655172413793, 0.5517241379310345, 0.034482758620689655, 0.06896551724137931 ]
[]
-378.78142
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.476417
pbe
true
ccd7c0d7b3d0ddec82794f5594403dac_203_Li12Sn4B8S2O32
[ "B", "Mn", "Na", "O", "P" ]
52
A7B3CDE
BMnNa3O7P
B4 Mn4 Na12 O28 P4
5
[ 1, 1, 1 ]
3
[ [ 0.07996192, 0.00002445, 5.19833799 ], [ 17.60600873, -0.00001872, 0.32425315 ], [ -0.00000803, 7.0346055, 0.00003291 ] ]
mp-768574
[ [ 0.7575134384807881, 1.7585296267165567, 3.988531322674304 ], [ 9.560811227787983, 1.7586355643782483, 4.150830537392255 ], [ 8.125220602564921, 5.2759791120784385, 1.371704465764736 ], [ 16.928527488780635, 5.2759775621289835, 1.5342517899612702 ], [...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Mn", "Mn", "Mn", "Mn", "B", "B", "B", "B", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2020-06-03 18:39:58
[ 0.07692307692307693, 0.07692307692307693, 0.23076923076923078, 0.5384615384615384, 0.07692307692307693 ]
[ [ -1.24506232, -0.00402398, 0.14006518 ], [ -0.00402432, -1.35488108, -0.00147391 ], [ 0.14251339, -0.00147369, -0.71643582 ] ]
-343.258248
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3.997, -3.997, 3.998, 3.998, 0.012, -0.012, -0.012, 0.012, 0.001, -0.001, -0.001, 0.001, -0.028, 0.028, 0.027, -0.028, -0.082, 0.082, 0.082, -0.082, -0.079, 0.079, 0.079, -0.079, 0.007, -0.007, -0.007, ...
[ [ 0.00895068, 0.00017113, 0.0120187 ], [ 0.00983371, -0.00002115, 0.01211764 ], [ -0.01050811, -0.00017094, -0.01159772 ], [ -0.00943869, -0.00015912, -0.01269819 ], [ 0.00428037, 0.00486374, -0.00371808 ], [ 0.00403429, 0.00521...
0.001
1.24199
pbe
true
84149953ef37744ba76620c0dc964806_11_Na12Mn4B4P4O28
[ "B", "Mn", "Na", "O", "Si" ]
52
A7B3CDE
BMnNa3O7Si
B4 Mn4 Na12 O28 Si4
5
[ 1, 1, 1 ]
3
[ [ 0.10475972, 6.46363986, 5.2766369 ], [ 0.10469499, -6.46395467, 5.27702408 ], [ 8.8455866, 0.000196, -5.06872998 ] ]
mp-772970
[ [ 0.8204484058499447, 1.6158359503283968, 4.052507087694065 ], [ 0.8203991494903431, -4.8479949257183, 4.052674494175703 ], [ 8.234705493798202, 4.8478708205869845, 1.432093944822598 ], [ 8.234640258003871, -1.6159349173558066, 1.432461406045653 ], [ ...
[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Mn", "Mn", "Mn", "Mn", "Si", "Si", "Si", "Si", "B", "B", "B", "B", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2020-06-03 13:19:03
[ 0.07692307692307693, 0.07692307692307693, 0.23076923076923078, 0.5384615384615384, 0.07692307692307693 ]
[ [ 1.83310819, -0.01413619, 0.11733137 ], [ -0.01413147, 1.50581575, -0.01605075 ], [ 0.1187937, -0.01603782, 2.14590934 ] ]
-341.943987
[ -0.001, 0.001, -0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, -3.201, -3.201, 3.201, 3.201, -0.001, 0, 0, 0, 0.012, -0.012, 0.012, -0.012, 0.026, -0.026, 0.026, -0.026, -0.08, 0.081, -0.081, 0.081, -0.081, 0.081, -0.081, 0.081, 0.004, -0.004, 0.004...
[ [ -0.00130868, -0.00039264, 0.01738582 ], [ -0.00164058, 0.00010685, 0.01719999 ], [ 0.00032559, -0.00001958, -0.0177845 ], [ 0.000502, -0.00013877, -0.01720357 ], [ 0.00873269, 0.01232169, 0.00508659 ], [ 0.00922163, 0.01090773...
0.001
1.240479
pbe
true
07266630411d1ba71236785db636290f_11_Na12Mn4Si4B4O28
[ "Al", "Li", "P" ]
4
A2BC
AlLiP2
Li1 Al1 P2
3
[ 1, 1, 1 ]
3
[ [ 3.55876107, 0, 0 ], [ 0, 3.55876107, 0 ], [ 0, 0, 4.9893441 ] ]
agm003984906
[ [ 0, 0, 1.871459315149125 ], [ 1.779380535, 1.779380535, 4.36562569512459 ], [ 0, 0, 4.365429564008019 ], [ 1.779380535, 1.779380535, 1.870845725611707 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Al", "Li", "P", "P" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.17685527, 0, 0 ], [ 0, 0.17685527, 0 ], [ 0, 0, 0.06712971 ] ]
-16.879678
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00336354 ], [ 0, 0, -0.00033165 ], [ 0, 0, 0.00366109 ], [ 0, 0, 0.0000341 ] ]
0.000012
2.622118
pbe
true
acf8f1e3cda9c8354eae6e79cabc455d_123_Li1Al1P2
[ "As", "Au", "Cl" ]
4
A2BC
AsAu2Cl
As1 Au2 Cl1
3
[ 1, 1, 1 ]
3
[ [ 2.99732054, 0, 0 ], [ 0, 4.69990436, 0 ], [ 0, 0, 5.63677555 ] ]
agm003988893
[ [ 0, 2.34995218, 2.818387775 ], [ 0, 0, 0 ], [ 1.49866027, 2.34995218, 0 ], [ 1.49866027, 0, 2.818387775 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "As", "Au", "Au", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.6735723, 0, 0 ], [ 0, 2.9458923, 0 ], [ 0, 0, 2.8459096 ] ]
-11.837004
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.368852
pbe
true
85eed4cda1c189c8d3ba6c9b999f6b1c_47_As1Au2Cl1
[ "Bi", "Mn", "Os" ]
5
A3BC
BiMn3Os
Mn3 Bi1 Os1
3
[ 1, 1, 1 ]
3
[ [ 4.76510398, 0, 0 ], [ 0, 4.76510398, 0 ], [ 0, 0, 4.76510398 ] ]
agm002526437
[ [ 0, 2.38255199, 0 ], [ 0, 0, 2.38255199 ], [ 2.38255199, 0, 0 ], [ 0, 0, 0 ], [ 2.38255199, 2.38255199, 2.38255199 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Mn", "Mn", "Mn", "Os", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 2.4348714, 0, 0 ], [ 0, 2.4348714, 0 ], [ 0, 0, 2.4348714 ] ]
-37.708481
[ 3.52, 3.486, 3.527, -0.475, -0.284 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
10.432312
7.629739
pbe
true
201730fbfeea7f3937842fb068c54ddb_221_Mn3Bi1Os1
[ "Ba", "Bi", "Ca", "Cu", "F" ]
40
A14B2C2DE
Ba2Bi2CaCuF14
Ba4 Bi4 Ca2 Cu2 F28
5
[ 1, 1, 1 ]
3
[ [ 5.54999673, -0.00226145, -0.00312981 ], [ -2.77821262, 7.21960884, -0.07831245 ], [ -0.00929657, 0.23435037, 16.36541909 ] ]
mp-1045638
[ [ -0.5425853393093567, 2.805324015587907, 10.206584210655802 ], [ 0.5292347278396009, 2.690292530973714, 2.0183607628644356 ], [ 3.3016779668565226, 4.635890214785322, 6.064885751598157 ], [ 2.220509780878201, 4.746726320248818, 14.26110285973271 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cu", "Cu", "Bi", "Bi", "Bi", "Bi", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-26 21:22:20
[ 0.1, 0.1, 0.05, 0.05, 0.7 ]
[]
-206.002659
[ 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.711, 0.712, 0, 0, 0, 0, 0.001, 0, 0, 0, 0.065, 0.066, 0.001, 0.001, 0, 0, 0.002, 0, 0.002, 0.002, 0.066, 0, 0.067, 0.001, 0.068, 0.067, 0.001, 0.002, 0, 0.068, 0.065, 0.001, 0, 0 ]
[]
1.975
0.38516
pbe
true
6870f87c5d40be4bb0275d4ee62c8117_1_Ba4Ca2Cu2Bi4F28
[ "Ba", "Bi", "Ca", "In", "O" ]
20
A6BCDE
BaBiCaInO6
Ba2 Bi2 Ca2 In2 O12
5
[ 1, 1, 1 ]
3
[ [ 5.92833101, 0.00846941, 0.00602892 ], [ 0.01075928, 6.00440694, -0.0076486 ], [ 0.00864692, -0.01063829, 8.42529237 ] ]
mp-1518025
[ [ 5.901300477221427, 0.21269810627154728, 2.115789568394605 ], [ 0.046436732778573506, 5.789539953728452, 6.307883121605394 ], [ 3.042089254336985, 3.2820982134551486, 2.105710494507554 ], [ 2.9056479556630146, 2.7201398465448516, 6.317962195492445 ], ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Ba", "Ca", "Ca", "In", "In", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 05:30:26
[ 0.1, 0.1, 0.1, 0.1, 0.6 ]
[ [ -0.5486213, -0.453326, -0.32841404 ], [ -0.45332581, 0.45090509, -0.25639461 ], [ -0.32841439, -0.25639427, 0.62853334 ] ]
-118.024629
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.01386902, -0.00706524, -0.00816449 ], [ 0.01386902, 0.00706524, 0.00816449 ], [ 0.01102714, -0.02308312, -0.00617105 ], [ -0.01102714, 0.02308312, 0.00617105 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], ...
0
3.128587
pbe
true
66a1fe520b9b0a56edb40af1ff9ebae3_2_Ba2Ca2In2Bi2O12
[ "As", "Au", "K" ]
4
A2BC
AsAu2K
K1 As1 Au2
3
[ 1, 1, 1 ]
3
[ [ 2.93391705, 0, 0 ], [ 0, 4.26470568, 0 ], [ 0, 0, 7.50106264 ] ]
agm004352166
[ [ 1.466958525, 2.13235284, 6.226747613828655 ], [ 0, 0, 7.302976678100419 ], [ 1.466958525, 2.13235284, 1.5013538896913023 ], [ 0, 0, 3.721578343368996 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "As", "Au", "Au", "K" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.0576663, 0, 0 ], [ 0, 4.3379498, 0 ], [ 0, 0, 4.2495637 ] ]
-12.287073
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00475439 ], [ 0, 0, 0.00142068 ], [ 0, 0, -0.00620778 ], [ 0, 0, 0.00003271 ] ]
-0.000006
1.216273
pbe
true
1a18ea180ffdfda956f9bac354b69195_25_K1As1Au2
[ "Ba", "Bi", "Ce", "O", "Sr" ]
20
A6BCDE
BaBiCeO6Sr
Ba2 Bi2 Ce2 O12 Sr2
5
[ 1, 1, 1 ]
3
[ [ 6.14414828, -0.01076425, -0.01393319 ], [ -0.00584382, 6.27915546, 0.01351263 ], [ -0.01299584, 0.02551902, 8.776325 ] ]
mp-1518927
[ [ 6.095803866200319, 0.221284092976889, 2.2048740121926307 ], [ 0.029504753799680997, 6.072626137023112, 6.571030427807369 ], [ 3.1584267463787463, 3.405146692033787, 2.2220973183534816 ], [ 2.966881873621254, 2.8887635379662133, 6.553807121646519 ], [...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Ba", "Ba", "Sr", "Sr", "Ce", "Ce", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 07:01:48
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ -6.34582984, 0.33100552, -0.09432964 ], [ 0.33100552, -6.60442003, -0.12815756 ], [ -0.09432969, -0.12815758, -5.98902432 ] ]
-136.068703
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00293457, 0.00133132, 0.01268296 ], [ -0.00293457, -0.00133132, -0.01268296 ], [ 0.03786926, 0.02857392, -0.00126736 ], [ -0.03786926, -0.02857392, 0.00126736 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], ...
0
4.049493
pbe
true
f01d0a5ce6eacd9fbf94697466758cfc_2_Ba2Sr2Ce2Bi2O12
[ "Ba", "Bi", "Ce", "O", "Sr" ]
40
A6BCDE
BaBiCeO6Sr
Ba4 Bi4 Ce4 O24 Sr4
5
[ 1, 1, 1 ]
3
[ [ 8.77240187, 0, 0 ], [ 0, 8.79059641, 0 ], [ 0, 0, 8.77761548 ] ]
mp-1519122
[ [ 0, 0, 0 ], [ 4.386200935, 4.395298205, 4.38880774 ], [ 4.386200935, 4.395298205, 0 ], [ 0, 4.395298205, 0 ], [ 0, 4.395298205, 4.38880774 ], [ 4.386200935, 0, 4.38880774 ], [ 4.386200935, 0, 0 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Ba", "Ba", "Ba", "Ba", "Sr", "Sr", "Sr", "Sr", "Ce", "Ce", "Ce", "Ce", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 03:23:28
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ 1.69552203, 0, 0 ], [ 0, 2.12681913, 0 ], [ 0, 0, 1.77345462 ] ]
-271.427363
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0727846, 0.00652148, 0.0112503 ], [ -0.0727846, -0.00652...
0
4.041149
pbe
true
8b6186abdcffc71492098cb84e0b9a75_16_Ba4Sr4Ce4Bi4O24
[ "Ba", "Bi", "Dy", "K", "O" ]
30
A9B2C2DE
Ba2Bi2DyKO9
Ba4 Bi4 Dy2 K2 O18
5
[ 1, 1, 1 ]
3
[ [ 19.76448581, 0.45773964, 20.41182669 ], [ 3.40197156, 4.81111391, 3.40197153 ], [ 4e-8, 5e-8, 6.80394182 ] ]
mp-676664
[ [ 8.92199202604604, 0.9078697809463325, 10.205913345740903 ], [ 14.136581340449231, -0.3738400483664524, 13.60789126320133 ], [ -0.7229745786725514, 0.5112202669562872, 5.578273314891079e-10 ], [ 4.017062135167821, -0.43493017437640724, 3.401977918384403 ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "Ba", "Ba", "Ba", "Ba", "Dy", "Dy", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-11-15 18:24:47
[ 0.13333333333333333, 0.13333333333333333, 0.06666666666666667, 0.06666666666666667, 0.6 ]
[]
-158.555902
[ 0.004, 0.004, -0.012, -0.012, -0.046, -0.046, 0.026, 0.026, -0.035, 0.02, 0.818, 0.02, 0.708, 0.766, 0.643, 0.265, 0.253, 0.279, -0.687, -0.706, -0.669, 0.077, 0.054, 0.101, -0.686, -0.668, -0.706, 0.265, 0.279, 0.252 ]
[]
0.587
1.87914
pbe
true
747999122ef2a01d6cc837522e67c97e_164_K2Ba4Dy2Bi4O18
[ "Ba", "Bi", "Gd", "O", "Sr" ]
20
A6BCDE
BaBiGdO6Sr
Ba2 Sr2 Gd2 Bi2 O12
5
[ 1, 1, 1 ]
3
[ [ 6.10337003, 0.00496114, 0.00090686 ], [ 0.0077798, 6.14601527, 0.00129043 ], [ 0.02986266, 0.01645264, 8.6529492 ] ]
agm005256133
[ [ 0.062364096955032096, 0.1780831334917311, 6.490828507100373 ], [ 6.078648393044968, 5.989345916508269, 2.1643179828996266 ], [ 3.02936144486442, 3.2985580253104505, 6.483906752544615 ], [ 3.111651045135579, 2.86887102468955, 2.1712397374553856 ], [ ...
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
[ "Ba", "Ba", "Sr", "Sr", "Gd", "Gd", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ 0.58715016, 0.03686203, -0.0111016 ], [ 0.03686191, 0.5138407, 0.00548806 ], [ -0.01110168, 0.00548802, 0.6362942 ] ]
-150.350128
[ 0.001, 0.001, 0.001, 0.001, 6.89, 6.893, 0.008, 0.008, -0.002, -0.001, -0.002, -0.001, -0.002, 0, -0.002, 0, 0, 0, 0, 0 ]
[ [ 0.0017663, -0.00085675, 0.00032704 ], [ -0.0017663, 0.00085675, -0.00032704 ], [ 0.00183318, -0.00254947, -0.00079191 ], [ -0.00183318, 0.00254947, 0.00079191 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [...
13.93294
-0.000052
pbe
true
4e23a792b3267f270738d2c246879e05_2_Ba2Sr2Gd2Bi2O12
[ "Al", "Ni" ]
24
AB
AlNi
Al1 Ni1
2
[ 1, 1, 1 ]
3
[ [ 4.878420957, 0, 0 ], [ -2.439210479, 4.224836479, 0 ], [ 0, 0, 14.708324601 ] ]
oqmd-6015891
[ [ 0, 0, 1.3439199999999998 ], [ -2.2773585877019315e-16, 2.81656, 1.87305 ], [ 2.4392099999999997, 1.40828, 2.3043199999999997 ], [ 2.4392099999999997, 1.40828, 5.04984 ], [ -2.2773585877019315e-16, 2.81656, 5.48111 ], [ 0, 0, ...
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2024-11-01 00:00:00
[ 0.5, 0.5 ]
[ [ 17.86008534, 0, 0 ], [ 0, 17.86008534, 0 ], [ 0, 0, 0.14904139 ] ]
-123.151
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0 ]
[ [ 0, 0, -0.052065 ], [ 0, 0, -0.018263 ], [ 0, 0, -0.037612 ], [ 0, 0, 0.037612 ], [ 0, 0, 0.018263 ], [ 0, 0, 0.052065 ], [ 0, 0, -0.052065 ], [ 0, 0, -0.018263 ], [ 0, 0, -0....
0.00616
null
pbe
true
54949da65aec96e89643ace4346ba919_194_Al12Ni12
[ "Ba", "Bi", "Nb", "O", "Pb" ]
56
A18B4C4DE
BaBi4Nb4O18Pb
Ba2 Bi8 Nb8 O36 Pb2
5
[ 1, 1, 1 ]
3
[ [ 5.66769032, -0.00000355, -2.7e-7 ], [ 0.00000712, -11.36309748, 0.00031159 ], [ -0.00000119, 2.84118867, -12.50459892 ] ]
mp-1228636
[ [ 4.25077850788383, -7.054161558409229, 0.000039300491607400004 ], [ 4.2507871334208716, -1.3726189551855241, -0.00009548674539669998 ], [ 4.250766613427523, -4.188516090208642, -2.181441465237707 ], [ 4.250775557739556, -9.870074403460066, -2.181290546738...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "Ba", "Ba", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2019-01-13 04:19:31
[ 0.03571428571428571, 0.14285714285714285, 0.14285714285714285, 0.6428571428571429, 0.03571428571428571 ]
[ [ 7.26695188, 0.00195841, 0.00009164 ], [ 0.00195851, 7.2054212, -0.00526142 ], [ 0.00009173, -0.00526133, 7.58845167 ] ]
-416.312606
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00001209, -0.02539856, 0.00023413 ], [ -0.0000441, -0.02532873, 0.00040102 ], [ 0.0000734, -0.0101287, 0.04862754 ], [ -0.00010182, -0.01003619, 0.04901188 ], [ 0.00003458, 0.00943611, 0.02712921 ], [ 0.00004727, 0.00960769...
0
3.718101
pbe
true
48c4163724290a3aedb22220af66e73d_38_Ba2Nb8Bi8Pb2O36
[ "Ba", "Bi", "O", "Pb", "Tl" ]
33
A17B8C4D2E2
Ba8Bi2O17Pb4Tl2
Ba8 Bi2 O17 Pb4 Tl2
5
[ 1, 1, 1 ]
3
[ [ 5.4992674, 0.08853608, -3.38736741 ], [ -1.67420826, 5.30857151, -3.27400196 ], [ -1.34488831, -1.4575909, 24.70925576 ] ]
mp-677325
[ [ -0.9926039363735845, 2.8565401948557763, 18.254860520867087 ], [ -0.612093246680519, 3.038386777262216, 12.092559750484675 ], [ 2.591468289660506, -0.061079457070900456, 18.31198317954241 ], [ -0.41378232849797053, 3.6522871393417122, 6.221974380900617 ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Tl", "Tl", "Bi", "Bi", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-11-17 07:50:04
[ 0.24242424242424243, 0.06060606060606061, 0.5151515151515151, 0.12121212121212122, 0.06060606060606061 ]
[]
-183.412956
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.902976
pbe
true
4a5463bcd978d1d7c9550677efbb933c_1_Ba8Tl2Bi2Pb4O17
[ "Co", "Li", "Sc" ]
4
A2BC
CoLiSc2
Li1 Sc2 Co1
3
[ 1, 1, 1 ]
3
[ [ 3.52182922, 0, 0 ], [ 0, 3.44754292, 0 ], [ 0, 0, 6.13309734 ] ]
agm004171470
[ [ 0, 0, 2.7157749992988696 ], [ 1.76091461, 1.72377146, 4.5201197865392695 ], [ 0, 0, 0.0062715213469638 ], [ 1.76091461, 1.72377146, 1.9574797641458703 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Co", "Li", "Sc", "Sc" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.0371222, 0, 0 ], [ 0, 5.0342813, 0 ], [ 0, 0, 2.2835996 ] ]
-21.281186
[ 0.003, 0, 0, -0.001 ]
[ [ 0, 0, -0.02120895 ], [ 0, 0, -0.01053274 ], [ 0, 0, 0.01562709 ], [ 0, 0, 0.01611459 ] ]
0.001761
4.073929
pbe
true
80474eb20f15bb5012c0e58fd46b92a5_25_Li1Sc2Co1
[ "Ba", "Bi", "O", "Sr", "Ti" ]
20
A6BCDE
BaBiO6SrTi
Ba2 Sr2 Ti2 Bi2 O12
5
[ 1, 1, 1 ]
3
[ [ 5.93520717, 0.02568729, -0.01014702 ], [ -0.00088062, 5.92591601, -0.01503873 ], [ -0.04142082, -0.05548621, 8.36634192 ] ]
agm005243011
[ [ 2.8516820473321842, 2.920106792602651, 6.2830081240202995 ], [ 3.041223682667815, 2.9760102973973495, 2.0581480459797006 ], [ 5.75733549987862, 0.03708238505462899, 6.269409116623332 ], [ 0.1355702301213807, 5.859034704945371, 2.071747053376668 ], [ ...
[{"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
[ "Ba", "Ba", "Sr", "Sr", "Ti", "Ti", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.1, 0.1 ]
[ [ 0.57025725, 0.01710445, -0.05408999 ], [ 0.01710437, 0.46053115, -0.03950353 ], [ -0.05409003, -0.03950354, 0.53758544 ] ]
-138.075651
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00006139, 0.00083753, -0.00429881 ], [ 0.00006139, -0.00083753, 0.00429881 ], [ -0.00110495, -0.0019382, -0.00217003 ], [ 0.00110495, 0.0019382, 0.00217003 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [...
0.000051
4.384446
pbe
true
3d6cb79ee244c9adfe4c1dfe0cb84c80_2_Ba2Sr2Ti2Bi2O12
[ "Bi", "Mn", "Pr" ]
6
ABC
BiMnPr
Pr2 Mn2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 4.50827625, 0.00017455, 0.00080605 ], [ 0.00017455, 4.50827625, 0.00080605 ], [ -2.25285979, -2.25285979, 7.88959526 ] ]
agm002345582
[ [ 0.001216125460204032, 0.00121612546020381, 5.316408666504544 ], [ 2.254374884539796, 2.254374884539796, 2.5747986934954556 ], [ 2.254138125, 0.000087275, 0.000403025 ], [ 0.000087275, 2.254138125, 0.000403025 ], [ -0.00010869181903772827, -0....
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Pr", "Pr", "Mn", "Mn", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.7986103, 0.02366035, -0.06851572 ], [ 0.02366035, 0.7986103, -0.06851572 ], [ -0.06851583, -0.06851583, 0.9774536 ] ]
-37.124588
[ -0.014, -0.014, 3.841, 3.689, -0.056, -0.056 ]
[ [ 0.00026816, 0.00026816, -0.00168347 ], [ -0.00026816, -0.00026816, 0.00168347 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00031383, -0.00031383, -0.00693793 ], [ 0.00031383, 0.00031383, 0.00693793 ] ]
7.864525
6.601199
pbe
true
7d969718deb3ad0f43c63189cfc851b6_139_Pr2Mn2Bi2
[ "Bi", "N", "Te" ]
4
A2BC
Bi2NTe
Bi2 Te1 N1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.63087233, 3.63087233 ], [ 3.63087233, 0, 3.63087233 ], [ 3.63087233, 3.63087233, 0 ] ]
agm002706651
[ [ 3.63087233, 3.63087233, 3.63087233 ], [ 1.815436165, 1.815436165, 1.815436165 ], [ 5.446308495, 5.446308495, 5.446308495 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Te", "Bi", "Bi", "N" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.573801, 0, 0 ], [ 0, 0.573801, 0 ], [ 0, 0, 0.573801 ] ]
-14.965562
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
1.281949
pbe
true
22f1f4de7a428df3e4000f160110c270_225_Bi2Te1N1
[ "Al", "Tc" ]
15
A4B
Al4Tc
Al4 Tc1
2
[ 1, 1, 1 ]
3
[ [ 2.600205497, -8.812771199, 0 ], [ 2.600205497, 8.812771199, 0 ], [ -0.975531196, 0, 5.067099715 ] ]
oqmd-9682075
[ [ 2.6511399999999994, -4.3836, 0.3549 ], [ 2.65114, 4.3836, 0.3549 ], [ 2.4303399999999997, 4.4897816510636875e-17, 0.7447 ], [ 4.054209999999999, -2.10962, 1.09379 ], [ 4.054209999999999, 2.10962, 1.09379 ], [ 0.2651899999999999, ...
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Tc", "Tc", "Tc" ]
2024-11-01 00:00:00
[ 0.8, 0.2 ]
[ [ -0.36193097, 0, -0.44497971 ], [ 0, 2.09211165, 0 ], [ -0.44497971, 0, 0.59924083 ] ]
-81.6603
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.018228, 0.007003, -0.011373 ], [ -0.018228, -0.007003, -0.011373 ], [ -0.029604, 0, -0.006473 ], [ 0.018114, 0.012058, 0.017145 ], [ 0.018114, -0.012058, 0.017145 ], [ 0.014131, 0, -0.013924 ], [ 0.005237, 0...
0.001989
null
pbe
true
5838aa313171a59a15fa3391eca74c4b_8_Al12Tc3
[ "Ba", "C", "Co", "F", "O" ]
52
A6B2C2D2E
Ba2C2CoF2O6
Ba8 C8 Co4 F8 O24
5
[ 1, 1, 1 ]
3
[ [ 6.74940866, 0, 0 ], [ 0, 9.08833446, 0 ], [ 0, 0, 11.70411295 ] ]
mp-562662
[ [ 6.651062351474275, 8.10137769098184, 7.8993979646142325 ], [ 3.473050638525726, 3.55721046098184, 3.8047149853857682 ], [ 3.473050638525726, 8.10137769098184, 2.047341489614232 ], [ 6.651062351474275, 3.55721046098184, 9.656771460385768 ], [ 3.27...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Co", "Co", "Co", "Co", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2013-06-22 06:37:21
[ 0.15384615384615385, 0.15384615384615385, 0.07692307692307693, 0.15384615384615385, 0.46153846153846156 ]
[]
-360.837593
[ 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 2.743, 2.743, 2.742, 2.742, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.029, 0.033, 0.029, 0.033, 0.033, 0.033, 0.033, 0.005, 0.029, 0.033, 0.005, 0.029, 0.005, 0.029, 0...
[]
11.786
2.245835
pbe
true
d6529b9aa6e85c8405647dbefd2b9d97_61_Ba8Co4C8O24F8
[ "Bi", "Li", "Tl" ]
5
A2B2C
Bi2LiTl2
Li1 Tl2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 4.5973574, 0, 0 ], [ 0, 4.5973574, 0 ], [ 2.2986787, 2.2986787, 7.93027019 ] ]
agm002929176
[ [ 4.5973574, 2.2986787, 3.965135095 ], [ 2.2986787, 4.5973574, 3.965135095 ], [ 2.298678677013213, 2.298678677013213, 1.481842278130508 ], [ 4.5973574229867875, 4.5973574229867875, 6.4484279118694925 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Tl", "Tl", "Bi", "Bi", "Li" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 2.071855, 0, 0 ], [ 0, 2.071855, 0 ], [ 0, 0, 1.1186963 ] ]
-14.198473
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01162595 ], [ 0, 0, -0.01162595 ], [ 0, 0, 0 ] ]
0
2.547921
pbe
true
3c276b45e9809143d72a1177b2e2ecda_139_Li1Tl2Bi2
[ "Ba", "C", "N", "O", "Re" ]
92
A11B6C3D2E
BaC3N6O11Re2
Ba4 C12 N24 O44 Re8
5
[ 1, 1, 1 ]
3
[ [ 0, -7.8263753, 0 ], [ -15.16453143, 0, 1.06274782 ], [ -0.07626792, 0, -15.40615145 ] ]
mp-1215113
[ [ -13.183043383687346, -6.6134918664778475, -8.228614324231717 ], [ -2.0577559663126537, -1.2128834335221519, -6.114789305768281 ], [ -2.095889926312654, -2.700304216477848, -13.817865030768282 ], [ -13.144909423687347, -5.126071083522152, -0.5255385992317...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Ba", "Ba", "Ba", "Ba", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N"...
2019-01-12 16:50:45
[ 0.043478260869565216, 0.13043478260869565, 0.2608695652173913, 0.4782608695652174, 0.08695652173913043 ]
[ [ -0.32771002, 0, -0.77874394 ], [ 0, -2.89852042, 0 ], [ -0.77874387, 0, 0.27241518 ] ]
-684.865123
[ 0.003, 0.003, 0.003, 0.003, 0.004, 0.004, 0.004, 0.004, 0, 0, 0, 0, -0.08, -0.08, -0.08, -0.08, 0, 0, 0, 0, 0, 0, 0, 0, 0.573, 0.573, 0.573, 0.573, 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0.001, 0.001, 0.001, 0.001, 0.586, 0.586, 0....
[ [ -0.00949344, 0.01474177, 0.04262539 ], [ 0.00949344, -0.01474177, -0.04262539 ], [ 0.00949344, 0.01474177, -0.04262539 ], [ -0.00949344, -0.01474177, 0.04262539 ], [ 0.06913748, -0.05773456, 0.03267121 ], [ -0.06913748, 0.0577...
5.824
-1.516855
pbe
true
8bee3e3da82de2925ea7df6b5f8c6846_14_Ba4Re8C12N24O44
[ "Bi", "Li", "Zn" ]
4
A2BC
Bi2LiZn
Li1 Zn1 Bi2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.64277033, 3.64277033 ], [ 3.64277033, 0, 3.64277033 ], [ 3.64277033, 3.64277033, 0 ] ]
agm002695934
[ [ 3.64277033, 3.64277033, 3.64277033 ], [ 1.821385165, 1.821385165, 1.821385165 ], [ 5.464155495, 5.464155495, 5.464155495 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Bi", "Bi", "Li" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.1942704, 0, 0 ], [ 0, 2.1942704, 0 ], [ 0, 0, 2.1942704 ] ]
-11.124091
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.234626
pbe
true
733c49ce6d279471eeb58ba83ba0032c_225_Li1Zn1Bi2
[ "Ba", "Ca", "Cr", "Cu", "F" ]
40
A14B2C2DE
Ba2CaCr2CuF14
Ba4 Ca2 Cr4 Cu2 F28
5
[ 1, 1, 1 ]
3
[ [ 5.42267863, -0.00024646, 0.00215511 ], [ -2.71170674, 7.03325147, -0.1777059 ], [ 0.00588999, 0.00466289, 15.01532847 ] ]
mp-582663
[ [ -0.38541088433124204, 2.640934499866896, 9.261223457845993 ], [ 0.3806098511718203, 2.6332213011016092, 1.755554407227457 ], [ 3.103155025470187, 4.387103101070543, 5.552954997009785 ], [ 2.3270400686661774, 4.402675477576374, 13.055840768588533 ], [...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cr", "Cr", "Cr", "Cr", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2014-02-13 15:42:47
[ 0.1, 0.05, 0.1, 0.05, 0.7 ]
[]
-227.197029
[ 0.002, 0.002, 0.002, 0.002, 0.003, 0.003, 2.945, 2.945, 2.945, 2.945, 0.725, 0.726, 0.003, -0.002, -0.002, 0.001, 0.067, 0.067, -0.002, 0.003, -0.005, 0, 0.002, 0, 0.002, 0.001, 0.067, -0.005, 0.051, 0.003, 0.051, 0.052, -0.002, 0.002, -0.005, 0....
[]
13.71
0.606389
pbe
true
de842e5e95542f98cbc0097fbf6827df_1_Ba4Ca2Cr4Cu2F28
[ "Ba", "Ca", "Cu", "F", "Ni" ]
40
A14B2C2DE
Ba2CaCuF14Ni2
Ba4 Ca2 Cu2 F28 Ni4
5
[ 1, 1, 1 ]
3
[ [ 5.40119068, 0.01622946, -0.01808705 ], [ -2.67917452, 6.87009028, -0.21433412 ], [ -0.05019397, -0.09886006, 14.87971224 ] ]
mp-1046122
[ [ -0.33932514471146336, 2.5744364453678816, 9.218316606591188 ], [ 0.2965618142651232, 2.62632116706332, 1.7253089220589006 ], [ 3.030763399263868, 4.1818185867270214, 5.486827562998871 ], [ 2.3663379073178237, 4.127299518825563, 12.89151451176721 ], [...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cu", "Cu", "Ni", "Ni", "Ni", "Ni", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-27 13:18:08
[ 0.1, 0.05, 0.05, 0.7, 0.1 ]
[]
-191.104431
[ 0.003, 0.002, 0.001, 0, 0.001, 0.001, -0.91, 0.551, 1.578, 2.281, 1.255, 2.278, -0.048, -0.013, 0.114, 0.138, 0.06, -0.097, -0.096, 0.124, 0.036, -0.074, -0.014, -0.051, -0.008, 0.114, -0.091, 0.08, -0.003, 0.122, -0.079, 0.113, 0.073, 0.113, 0.041...
[]
7.926
0.087759
pbe
true
1498f420e0b862ce2ce3b92bbaa6a1aa_1_Ba4Ca2Cu2Ni4F28
[ "Bi", "Nb", "Nd" ]
4
A2BC
Bi2NbNd
Nd1 Nb1 Bi2
3
[ 1, 1, 1 ]
3
[ [ 3.53554345, 0, 0 ], [ 1.76777172, 3.06187044, 0 ], [ 1.76777172, 1.02062348, 10.88631215 ] ]
agm002008844
[ [ 3.535543445, 2.04124696, 5.443156075 ], [ 0, 0, 0 ], [ 1.767773506462889, 1.0206245108297147, 7.576497352041461 ], [ 5.303313383537111, 3.0618694091702854, 3.30981479795854 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Nb", "Nd", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.040689, 0, 0 ], [ 0, 2.040689, 0 ], [ 0, 0, 2.1631598 ] ]
-22.049397
[ 0.025, 0.058, 0.002, 0.002 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00799582 ], [ 0, 0, -0.00799582 ] ]
0.17994
5.081098
pbe
true
1996ec6bb4cf70381d15f14df452bf43_166_Nd1Nb1Bi2
[ "Ba", "Ca", "Cu", "Hg", "O" ]
73
A37B15C12D6E3
Ba6Ca12Cu15Hg3O37
Ba6 Ca12 Cu15 Hg3 O37
5
[ 1, 1, 1 ]
3
[ [ -3.85976523, 3.85976527, 0 ], [ -3.84474255, -7.70450691, 0.00005871 ], [ -0.0051234, 3.85464185, 22.45377595 ] ]
mp-1229082
[ [ -5.784499107653922, 1.9350281294664917, 19.80415786620115 ], [ -1.935795367929531, 1.9239740024069731, 19.65407649872811 ], [ -5.774149407941449, -1.9143833057832444, 19.654850660150384 ], [ -1.9304742170661104, -1.930470022792696, 2.7990035698300444 ]...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Hg", "Hg", "Hg", "O", "O", "O", "O", ...
2019-01-13 04:43:05
[ 0.0821917808219178, 0.1643835616438356, 0.2054794520547945, 0.0410958904109589, 0.5068493150684932 ]
[ [ 23.54407363, -0.46720324, 0.00892992 ], [ -0.46720324, 23.54407036, 0.00893012 ], [ 0.00892928, 0.00892948, 16.58038025 ] ]
-405.704054
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001, 0.002, -0.001, -0.001, 0.002, 0, 0, 0, 0, 0, 0, -0.002, -0.002, 0.006, 0.001, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,...
[ [ -0.00279673, -0.00279672, 0.02383108 ], [ 0.01765227, 0.01765227, 0.03350493 ], [ -0.01396334, -0.01396334, 0.02969475 ], [ 0.01396334, 0.01396334, -0.02969475 ], [ -0.01765227, -0.01765227, -0.03350493 ], [ 0.00279673, 0.0027...
0.016
3.388681
pbe
true
c23f128d4acb9b831ba7dae6a81ea4d6_12_Ba6Ca12Cu15Hg3O37
[ "Al", "Ni" ]
30
A8B7
Al8Ni7
Al8 Ni7
2
[ 1, 1, 1 ]
3
[ [ 8.841883896, 0, 0 ], [ 0, 8.841883896, 0 ], [ 0, 0, 4.96619478 ] ]
oqmd-6133124
[ [ 6.62304, 0.42639, 0 ], [ 4.16593, 1.33856, 0 ], [ 8.41549, 2.21884, 0 ], [ 1.33856, 4.16593, 0 ], [ 7.50332, 4.67595, 0 ], [ 0.42639, 6.62304, 0 ], [ 4.67595, 7.50332, 0 ], [ 2.21884, 8.41549, ...
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]
2024-11-01 00:00:00
[ 0.5333333333333333, 0.4666666666666667 ]
[ [ 10.35516297, 0, 0 ], [ 0, 10.35516297, 0 ], [ 0, 0, 16.26640166 ] ]
-146.911
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, 0, -0.001, -0.001, -0.001, -0.001, -0.001 ]
[ [ 0.006353, -0.005113, 0 ], [ 0.013982, -0.009819, 0 ], [ 0.005113, -0.006353, 0 ], [ -0.009819, 0.013982, 0 ], [ 0.009819, -0.013982, 0 ], [ -0.005113, 0.006353, 0 ], [ -0.013982, 0.009819, 0 ], [ -0...
-0.023886
null
pbe
true
cfab85a8a2150b16ed1aa9ec04661d67_136_Al16Ni14
[ "Al", "O" ]
44
A8B3
Al8O3
Al32 O12
2
[ 1, 1, 1 ]
3
[ [ 5.72966074, 0.02330337, -0.07791949 ], [ 2.8838613, 4.95997309, -0.10042228 ], [ -0.67443445, -0.61830422, 49.63665153 ] ]
mp-1244893
[ [ 4.260000730490629, 2.488584764485386, -0.027441324092650307 ], [ 7.122071243803942, 2.4984831765086852, -0.04598593610841628 ], [ 5.698269366533593, 4.9666572441525885, -0.0647325894732472 ], [ 1.3788937986557535, 0.798866418814073, 2.392523084078114 ]...
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "O", "O", "O", "O", "O", "O", "O", "O", "O",...
2019-07-02 00:35:06
[ 0.7272727272727273, 0.2727272727272727 ]
[ [ 0.63769726, -0.28302477, -0.10267875 ], [ -0.28302483, 0.2103762, 0.46826233 ], [ -0.1026787, 0.46826229, 0.23812733 ] ]
-232.136185
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.02276736, -0.03093291, 0.00038201 ], [ -0.02710619, -0.02196506, 0.00097593 ], [ -0.02479099, -0.02484017, 0.00135619 ], [ -0.00972214, -0.01348527, -0.00215124 ], [ -0.01482049, -0.00940351, 0.00472945 ], [ -0.01092238, -0...
0
1.479943
pbe
true
5088693d4d721e0987939752a9768097_1_Al32O12
[ "Al", "Os" ]
3
A2B
Al2Os
Al2 Os1
2
[ 1, 1, 1 ]
3
[ [ 3.17956438, 0, 0 ], [ 0, 3.17956438, 0 ], [ -1.58978219, -1.58978219, 4.16668008 ] ]
agm003271524
[ [ 0, 0, 0 ], [ 7.770045652088697e-17, 7.770045652088697e-17, 2.8182969892991276 ], [ 1.58978219, 1.58978219, 1.3483830907008718 ] ]
[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Os", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ 5.8557982, 0, 0 ], [ 0, 5.8557982, 0 ], [ 0, 0, 5.3792653 ] ]
-20.401267
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00178436 ], [ 0, 0, -0.00178436 ] ]
0
-0.01589
pbe
true
9450ce91dafe6b7722caba323b7c5863_139_Al2Os1
[ "Al", "P" ]
2
AB
AlP
Al1 P1
2
[ 1, 1, 1 ]
3
[ [ 3.89279629, 0, 0 ], [ 1.94639815, 3.37126048, 0 ], [ 1.94639815, 1.12375349, 3.17845486 ] ]
agm003157747
[ [ 5.8391944425, 3.3712604775, 2.383841145 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "Al" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 0.19540712, 0, 0 ], [ 0, 0.19540712, 0 ], [ 0, 0, 0.19540712 ] ]
-10.376655
[ 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
0
pbe
true
028bfa9cf5a92b7e3cdcee58e741f7ab_216_Al1P1
[ "Al", "Pm" ]
4
A3B
AlPm3
Al1 Pm3
2
[ 1, 1, 1 ]
3
[ [ 0, 3.869372, 3.869372 ], [ 3.869372, 0, 3.869372 ], [ 3.869372, 3.869372, 0 ] ]
oqmd-1990491
[ [ 5.804060000000001, 5.804060000000001, 5.804060000000001 ], [ 0, 0, 0 ], [ 1.934690000000002, 1.934690000000002, 1.934690000000002 ], [ 3.869369999999998, 3.869369999999998, 3.869369999999998 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Al", "Pm", "Pm", "Pm" ]
2024-11-01 00:00:00
[ 0.25, 0.75 ]
[ [ 0.15802, 0, 0 ], [ 0, 0.15802, 0 ], [ 0, 0, 0.15802 ] ]
-18.1057
[ -0.007, 0.142, 0.219, 0.142 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.84065
null
pbe
true
5260ec76d720010ab7beb9dc555fb8f6_225_Pm3Al1
[ "Ba", "Ca", "H", "O", "P" ]
58
A16B6C4D2E
Ba2CaH6O16P4
Ba4 Ca2 H12 O32 P8
5
[ 1, 1, 1 ]
3
[ [ 5.55754042, 0, 0.01974093 ], [ 0, 10.38231734, 0 ], [ -2.30005065, 0, 12.20846124 ] ]
mp-758007
[ [ -1.1043084160162706, 3.5813626126703486, 10.026783628802198 ], [ 0.04571690898372949, 1.6097960573296515, 3.9225530088021974 ], [ 3.21177286101627, 8.772521282670349, 8.305649161197802 ], [ 4.36179818601627, 6.800954727329651, 2.2014185411978024 ], [...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "P", "P", "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2014-05-05 08:42:18
[ 0.06896551724137931, 0.034482758620689655, 0.20689655172413793, 0.5517241379310345, 0.13793103448275862 ]
[]
-380.591463
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
0.704279
pbe
true
49efb01a70472c82f3fd72c8403fdcb5_14_Ba4Ca2P8H12O32
[ "Al", "Pt" ]
4
AB
AlPt
Al2 Pt2
2
[ 1, 1, 1 ]
3
[ [ 3.37976082, 0, 0 ], [ 0, 3.37976082, 0 ], [ 0, 0, 5.4012415 ] ]
agm003835766
[ [ 0, 0, 5.242280424071495 ], [ 1.68988041, 1.68988041, 1.509271450928505 ], [ 0, 0, 2.4239936279939953 ], [ 1.68988041, 1.68988041, 4.327558247006006 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Al", "Al", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 4.8799725, 0, 0 ], [ 0, 4.8799725, 0 ], [ 0, 0, 4.8508964 ] ]
-23.140046
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.0015927 ], [ 0, 0, -0.0015927 ], [ 0, 0, -0.00416383 ], [ 0, 0, 0.00416383 ] ]
-0.000001
2.130215
pbe
true
9201b7fcf9705df64e359691a99970f4_129_Al2Pt2
[ "Ba", "Ca", "K", "O", "U" ]
78
A24B6C6D2E
Ba2CaK6O24U6
Ba4 Ca2 K12 O48 U12
5
[ 1, 1, 1 ]
3
[ [ 7.12409536, -0.00039473, -2.5185063 ], [ -3.56238952, 6.16945062, -2.5185063 ], [ 0.00189806, 0.00328754, 30.2274461 ] ]
mp-691065
[ [ 1.8124630820171521, 3.13927835831999, 23.933095871264776 ], [ 0.0011862875, 0.0020547125, 18.892153812500002 ], [ -0.0025173958198296464, 6.165485084098917, 18.882645480939328 ], [ 1.7820392075, 3.0865826575, 16.3736475125 ], [ 3.5546030020498485...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2013-11-19 13:17:22
[ 0.05128205128205128, 0.02564102564102564, 0.15384615384615385, 0.6153846153846154, 0.15384615384615385 ]
[]
-625.122576
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
3.02775
pbe
true
3e62cc2a471ca966503d1760d3a235d7_67_K12Ba4Ca2U12O48
[ "As", "Be", "Fe" ]
4
A2BC
As2BeFe
Be1 Fe1 As2
3
[ 1, 1, 1 ]
3
[ [ 4.11493725, 0, 0 ], [ 0, 4.11493725, 0 ], [ 0, 0, 3.22049061 ] ]
agm004110784
[ [ 2.057468625, 0, 1.610245305 ], [ 0, 0, 0 ], [ 2.057468625, 2.057468625, 0 ], [ 0, 2.057468625, 1.610245305 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]
[ "Be", "As", "As", "Fe" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.59397, 0, 0 ], [ 0, 3.59397, 0 ], [ 0, 0, 3.1075418 ] ]
-19.997008
[ -0.05, -0.022, -0.022, 1.572 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.360462
2.198885
pbe
true
6244444bbf4d3aeed8fdd4c3703ba0a5_123_Be1Fe1As2
[ "Ba", "Ca", "O", "P", "Zr" ]
140
A96B24C16D3E
BaCa3O96P24Zr16
Ba1 Ca3 O96 P24 Zr16
5
[ 1, 1, 1 ]
3
[ [ 8.93566185, -0.0000586, -0.00000134 ], [ -0.00003753, 5.15939831, 15.4607758 ], [ 4.46791364, -12.89745062, 7.73003063 ] ]
mp-1229190
[ [ 4.467844135, -2.5791912275, 15.46059683 ], [ 4.468344585915952, -12.894279387077795, 7.731125162905833 ], [ 8.935693825, -5.1589196825000005, 7.7302082599999995 ], [ 4.467381214084048, 2.576498622077796, 7.7292926970941656 ], [ 4.4677016968690415...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Ba", "Ca", "Ca", "Ca", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P...
2019-01-13 04:48:47
[ 0.007142857142857143, 0.02142857142857143, 0.6857142857142857, 0.17142857142857143, 0.11428571428571428 ]
[ [ -2.87044221, -0.00699752, -0.02898369 ], [ -0.00699751, -2.83037831, -0.03233496 ], [ -0.02898396, -0.03233486, -3.98389398 ] ]
-1,138.534936
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ 0, 0, 0 ], [ 0.00465757, 0.01886619, 0.02542877 ], [ 0, 0, 0 ], [ -0.00465757, -0.01886619, -0.02542877 ], [ -0.00420309, 0.00557059, -0.01555525 ], [ -0.0033355, -0.0409868, 0.05082332 ], [ 0.00218617, -0.0093...
0
0.270029
pbe
true
48ddce99ef227b31804a43c137eaf620_2_Ba1Ca3Zr16P24O96
[ "Bi", "Lu", "Ni" ]
9
ABC
BiLuNi
Bi1 Lu1 Ni1
3
[ 1, 1, 1 ]
3
[ [ 8.164277878, 0, 0 ], [ -4.082138939, 7.070472046, 0 ], [ 0, 0, 3.482146399 ] ]
oqmd-5991571
[ [ 4.08214, 2.3568200000000004, 0 ], [ -1.0846804139585656e-16, 4.71365, 0 ], [ 0, 0, 1.7410699999999997 ], [ 2.40484, 0, 0 ], [ -1.2024185381113308, 2.08265, 0 ], [ 2.8797200000000007, 4.98782, 0 ], [ 5.39888, 0,...
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Bi", "Bi", "Bi", "Lu", "Lu", "Lu", "Ni", "Ni", "Ni" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 22.00370219, 0, 0 ], [ 0, 22.00370219, 0 ], [ 0, 0, 9.42207461 ] ]
-42.46
[ 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.001986, 0, 0 ], [ -0.000993, 0.00172, 0 ], [ -0.000993, -0.00172, 0 ], [ 0.04913, 0, 0 ], [ -0.024565, -0.042548, 0 ], [ -0.024565, 0.042...
-0.001386
null
pbe
true
407572054330dc31bc8756c2559844ea_189_Lu3Ni3Bi3
[ "Ba", "Ca", "O", "Ru", "Sr" ]
60
A36B12C8D3E
Ba12Ca3O36Ru8Sr
Ba12 Ca3 O36 Ru8 Sr1
5
[ 1, 1, 1 ]
3
[ [ -2.99385083, -5.18549906, 0.00004152 ], [ -2.99378141, 5.18545898, -0.00001322 ], [ 0.00014381, 0.00015916, -30.20472809 ] ]
mp-1229266
[ [ -2.9938191833570302, -1.7284755045621345, -9.25677836370408 ], [ -2.993733685887988, -1.7284019808851931, -24.164336410835144 ], [ -2.993841429840475, 1.7284519650191943, -1.459680744543306 ], [ -2.993701732237984, 1.7285709889811058, -16.627517162771063...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Sr", "Ca", "Ca", "Ca", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2019-01-13 04:52:51
[ 0.2, 0.05, 0.6, 0.13333333333333333, 0.016666666666666666 ]
[ [ -1.1880699, -0.00625687, 0.00179685 ], [ -0.00625692, -1.18829947, 0.00112504 ], [ 0.00179689, 0.00112476, -0.36247383 ] ]
-405.976788
[ 0.018, 0.016, 0.016, 0.016, 0.018, 0.016, 0.016, 0.016, 0.017, 0.016, 0.017, 0.016, 0.015, 0.01, 0.01, 0.01, 1.897, 1.902, 1.897, 1.902, 1.897, 1.902, 1.897, 1.902, 0.091, 0.092, 0.091, 0.092, 0.091, 0.092, 0.091, 0.092, 0.091, 0.092, 0.091, 0.09...
[ [ 0.00007456, -0.00007227, -0.16652719 ], [ -8.1e-7, -0.00005676, -0.02485493 ], [ 0.00010494, 0.000045, 0.04595929 ], [ 0.00005937, 0.00004503, -0.04501651 ], [ -0.00007456, 0.00007227, 0.16652719 ], [ 8.1e-7, 0.00005676, 0...
21.349
3.189212
pbe
true
2e6632848286757ea7ae49492a2e7032_147_Ba12Sr1Ca3Ru8O36
[ "Ba", "Ca", "O", "Sr", "W" ]
40
A6BCDE
BaCaO6SrW
Ba4 Ca4 O24 Sr4 W4
5
[ 1, 1, 1 ]
3
[ [ 8.50903514, 0, 0 ], [ 0, 8.57758506, 0 ], [ 0, 0, 8.54044697 ] ]
mp-1519963
[ [ 0, 0, 0 ], [ 4.25451757, 4.28879253, 4.270223485 ], [ 0, 4.28879253, 0 ], [ 0, 0, 4.270223485 ], [ 6.337996177939781, 6.431396680153415, 6.365618732910711 ], [ 2.1710389620602197, 2.1461883798465857, 6.365618732910711 ],...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Ba", "Ba", "Ba", "Ba", "Sr", "Sr", "Sr", "Sr", "Ca", "Ca", "Ca", "Ca", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 02:31:47
[ 0.1, 0.1, 0.6, 0.1, 0.1 ]
[ [ -0.65737369, 0, 0 ], [ 0, -3.71379864, 0 ], [ 0, 0, 0.13425432 ] ]
-276.490115
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02352911, 0.00497567, 0.01532379 ], [ 0.02352911, -0.00497567, 0.01532379 ], [ 0.02352911, 0.00497567, -0.01532379 ], [ -0.02352911, -0.004...
0
1.848288
pbe
true
314fe7bf20a3ad2570e98e284e539c1b_16_Ba4Sr4Ca4W4O24
[ "Ba", "Ca", "O", "Tl", "W" ]
23
A12B4C3D2E2
Ba2Ca3O12Tl2W4
Ba2 Ca3 O12 Tl2 W4
5
[ 1, 1, 1 ]
3
[ [ 4.06650095, 2e-8, -0.37445558 ], [ -0.03448063, 4.06635469, -0.37445558 ], [ 0.1138515, 0.11482131, 23.50424263 ] ]
mp-1843918
[ [ 0.7212032488713143, 0.7273447120357179, 7.8320723483099925 ], [ 3.424668571128686, 3.4538313079642817, 14.923259121690009 ], [ 0.32956691391877296, 0.33237336697525255, 3.5790179029473412 ], [ 3.816304906081227, 3.8488026530247477, 19.17631356705266 ],...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Ba", "Ba", "Ca", "Ca", "Ca", "Tl", "Tl", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-22 18:02:36
[ 0.08695652173913043, 0.13043478260869565, 0.5217391304347826, 0.08695652173913043, 0.17391304347826086 ]
[ [ 0.66809853, -0.03790224, -0.40813453 ], [ -0.03790224, 0.66745571, -0.41161002 ], [ -0.40813453, -0.41161002, -3.72656286 ] ]
-144.624041
[ 0.007, 0.007, 0.003, 0.003, 0.007, 0.007, 0.007, 1.93, 1.833, 1.833, 1.93, 0.028, 0.034, 0.024, 0.034, 0.024, 0.028, 0.028, 0.066, 0.028, 0.034, 0.034, 0.066 ]
[ [ 0.00005956, 0.00006007, 0.00064681 ], [ -0.00005956, -0.00006007, -0.00064681 ], [ 0.00536399, 0.00540967, 0.05825164 ], [ -0.00536399, -0.00540967, -0.05825164 ], [ 0, 0, 0 ], [ 0.00426566, 0.00430198, 0.04632401 ], [...
7.995
4.497999
pbe
true
b2c0883808f60dbe8ef996f26802c8c8_139_Ba2Ca3Tl2W4O12
[ "Ba", "Ce", "Hf", "O", "Sr" ]
40
A6BCDE
BaCeHfO6Sr
Ba4 Ce4 Hf4 O24 Sr4
5
[ 1, 1, 1 ]
3
[ [ 8.58173361, 0, 0 ], [ 0, 8.58226683, 0 ], [ 0, 0, 8.57373087 ] ]
mp-1522444
[ [ 0, 0, 0 ], [ 4.290866805, 4.291133415, 4.286865435 ], [ 0, 4.291133415, 0 ], [ 0, 0, 4.286865435 ], [ 0, 4.291133415, 4.286865435 ], [ 4.290866805, 0, 4.286865435 ], [ 4.290866805, 4.291133415, 0 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Ba", "Ba", "Ba", "Ba", "Sr", "Sr", "Sr", "Sr", "Ce", "Ce", "Ce", "Ce", "Hf", "Hf", "Hf", "Hf", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 09:29:18
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ -0.4315524, 0, 0 ], [ 0, 0.71788489, 0 ], [ 0, 0, -0.4137748 ] ]
-326.984427
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02906524, -0.01469578, 0.02820382 ], [ 0.02906524, 0.01...
0
2.54471
pbe
true
dc0ac0aa81f902241f5e9907aebadc5d_16_Ba4Sr4Ce4Hf4O24
[ "Ba", "Cl", "Co", "F", "Fe" ]
24
A7B2CDE
Ba2ClCoF7Fe
Ba4 Fe2 Co2 Cl2 F14
5
[ 1, 1, 1 ]
3
[ [ 5.9297045, 0, 0 ], [ 0, 7.79359606, -0.00906175 ], [ 0, 2.59480947, 8.69548557 ] ]
agm003230486
[ [ 1.482426125, 6.719506048382811, 5.123071417422785 ], [ 4.447278375, 3.66889948161719, 3.5633524025772165 ], [ 1.482426125, 5.611721824535246, 0.6301510909175593 ], [ 4.447278375, 4.7766837054647535, 8.05627272908244 ], [ 1.482426125, 3.240124...
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]
[ "Ba", "Ba", "Ba", "Ba", "Fe", "Fe", "Co", "Co", "Cl", "Cl", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.08333333333333333, 0.08333333333333333, 0.5833333333333334, 0.08333333333333333 ]
[ [ 1.3922551, 0, 0 ], [ 0, 1.5066756, -0.05523109 ], [ 0, -0.05523095, 1.6262822 ] ]
-129.498565
[ 0.001, 0.001, 0, 0, 3.8, 3.8, 2.776, 2.776, 0.03, 0.03, 0.052, 0.052, 0.05, 0.05, 0.05, 0.05, 0.033, 0.033, 0.033, 0.033, 0.024, 0.024, 0.024, 0.024 ]
[ [ 0, 0.00144808, -0.00096271 ], [ 0, -0.00144808, 0.00096271 ], [ 0, 0.00194443, 0.00012137 ], [ 0, -0.00194443, -0.00012137 ], [ 0, -0.00558836, 0.01300624 ], [ 0, 0.00558836, -0.01300624 ], [ 0, 0.00025369, ...
13.999993
0
pbe
true
a6bdd2b5fce320e02775fabb2ba5635f_11_Ba4Fe2Co2Cl2F14
[ "Ba", "Cl", "Cu", "O", "Te" ]
50
A11B4C4D4E2
Ba2Cl4Cu4O11Te4
Ba4 Cl8 Cu8 O22 Te8
5
[ 1, 1, 1 ]
3
[ [ 9.29049083, 0.00491586, -1.35939088 ], [ -3.46697753, 8.07017205, -3.36681125 ], [ -0.00839278, 0.01063471, 12.3821891 ] ]
mp-561174
[ [ 2.1212708487753704, 6.33567608823517, 3.5636823255590433 ], [ 6.616880576102971, 5.8181209211823335, 1.8000350750855154 ], [ 3.693849671224629, 1.7500465317648306, 4.092304644440956 ], [ -0.8017600561029711, 2.2676016988176664, 5.855951894914485 ], [...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Ba", "Ba", "Ba", "Ba", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "...
2014-03-07 03:15:12
[ 0.08, 0.16, 0.16, 0.44, 0.16 ]
[]
-251.793005
[ 0.001, 0, 0.001, 0, 0.123, 0.123, 0.541, 0.089, 0.089, 0.54, 0.54, 0.541, 0.005, 0.003, 0.003, 0.005, 0.005, 0.005, 0.003, 0.003, 0.015, 0.015, 0.006, 0.004, 0.006, 0.004, 0.023, 0.023, 0.008, 0.071, 0.063, 0.016, 0.016, 0.062, 0.071, 0.063, 0....
[]
3.864
3.476153
pbe
true
b292857735a959a3dba612b5f55adc10_2_Ba4Cu8Te8Cl8O22
[ "Bi", "Mg", "Pa" ]
4
A2BC
BiMg2Pa
Mg2 Pa1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 3.21272576, 0, 0 ], [ 0, 3.21272576, 0 ], [ 0, 0, 10.06352331 ] ]
agm001151728
[ [ 0, 0, 7.513992576432188 ], [ 0, 0, 2.5495307335678126 ], [ 1.60636288, 1.60636288, 5.031761655 ], [ 1.60636288, 1.60636288, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Pa", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.12156359, 0, 0 ], [ 0, 0.12156359, 0 ], [ 0, 0, 0.24774937 ] ]
-16.038499
[ 0.001, 0.001, 0.788, 0 ]
[ [ 0, 0, 0.00611228 ], [ 0, 0, -0.00611228 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.974166
5.271755
pbe
true
f42d0b76e0d9f374834548d85e383e3d_123_Mg2Pa1Bi1
[ "Bi", "Nb", "Np" ]
6
ABC
BiNbNp
Np2 Nb2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 3.45536383, 0, 0 ], [ -1.72768192, 5.85808069, -0.45431142 ], [ 0, -2.49093159, 7.76976275 ] ]
agm001057237
[ [ -8.09632868870188e-10, -0.8565275873126792, 5.556958745145649 ], [ 1.727681910809633, 4.223676687312679, 1.7584925848543513 ], [ -3.533804019774979e-9, 2.7717585688571034, 3.947573000793858 ], [ 1.7276819135338042, 0.5953905311428963, 3.367878329206142 ...
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Np", "Np", "Nb", "Nb", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.0356922, 0, 0 ], [ 0, 2.937755, -0.04383909 ], [ 0, -0.04383956, 2.8685036 ] ]
-52.007524
[ 3.903, 3.903, -0.021, -0.021, -0.023, -0.023 ]
[ [ 0, 0.00013936, -0.00150018 ], [ 0, -0.00013936, 0.00150018 ], [ 0, -0.0003058, -0.00004504 ], [ 0, 0.0003058, 0.00004504 ], [ 0, -0.0020792, 0.00311761 ], [ 0, 0.0020792, -0.00311761 ] ]
8.442016
11.96326
pbe
true
32ba4519b0725f24aa42e0c3b542941c_12_Np2Nb2Bi2
[ "Bi", "Nb", "O" ]
10
A2B2C
Bi2NbO2
Nb2 Bi4 O4
3
[ 1, 1, 1 ]
3
[ [ 6.01210178, 0, 0 ], [ 0, 6.01210178, 0 ], [ 0, 0, 5.37813285 ] ]
agm003005658
[ [ 0, 0, 0 ], [ 3.00605089, 3.00605089, 0 ], [ 1.1781169155224924, 4.184167805522492, 2.689066425 ], [ 4.184167805522492, 4.833984864477508, 2.689066425 ], [ 4.833984864477508, 1.8279339744775076, 2.689066425 ], [ 1.8279339744775076,...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Nb", "Nb", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 1.4429063, 0, 0 ], [ 0, 1.4429063, 0 ], [ 0, 0, -0.96411747 ] ]
-63.348202
[ -0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00583608, -0.00583608, 0 ], [ -0.00583608, 0.00583608, 0 ], [ 0.00583608, 0.00583608, 0 ], [ 0.00583608, -0.00583608, 0 ], [ -0.00132726, -0.00132726, 0 ], [ -0.00132726...
-0
6.288617
pbe
true
75aecf614d0d1adaf65cf2e693871bf7_127_Nb2Bi4O4
[ "Al", "Pt" ]
24
A5B
AlPt5
Al1 Pt5
2
[ 1, 1, 1 ]
3
[ [ 11.113820154, 0, 0 ], [ 0, 3.947892922, 0 ], [ 0, 0, 8.361402732 ] ]
oqmd-7889718
[ [ 6.368809999999999, 2.96092, 0.84404 ], [ 0.8119, 2.96092, 3.3366599999999997 ], [ 10.30192, 0.9869699999999998, 5.02474 ], [ 4.745009999999999, 0.9869699999999998, 7.51736 ], [ 3.69591, 2.96092, 0.54013 ], [ 0.71551, 2.96092, ...
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Al", "Al", "Al", "Al", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.8333333333333334 ]
[ [ 6.98860982, 0, 0 ], [ 0, 6.5590775, 0 ], [ 0, 0, 8.13100501 ] ]
-147.142
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00263, 0, 0.024392 ], [ -0.00263, 0, -0.024392 ], [ 0.00263, 0, 0.024392 ], [ 0.00263, 0, -0.024392 ], [ 0.05793, 0, -0.007082 ], [ -0.005476, 0, -0.023483 ], [ 0.019614, 0, 0.005594 ], [ -0.0252...
0.002345
null
pbe
true
cf9ea3f66bb43e3920c66dd015056e9a_62_Al4Pt20
[ "Al", "Pu" ]
4
A3B
AlPu3
Pu3 Al1
2
[ 1, 1, 1 ]
3
[ [ 4.85671191, 0, 0 ], [ 2.42835596, 4.2060359, 0 ], [ 2.42835596, 1.40201197, 3.96548867 ] ]
agm001418663
[ [ 4.856711915, 2.804023935, 1.982744335 ], [ 0, 0, 0 ], [ 7.2850678725, 4.2060359025, 2.9741165025000003 ], [ 2.4283559575, 1.4020119675, 0.9913721675 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Al", "Pu", "Pu", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.75 ]
[ [ 6.9769444, 0, 0 ], [ 0, 6.9769444, 0 ], [ 0, 0, 6.9769444 ] ]
-46.530669
[ 0.011, -4.346, 4.726, 4.726 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.419634
12.671465
pbe
true
c55a4a52a37adf8b31439440a2d17685_225_Pu3Al1
[ "Al", "Re" ]
6
A5B
Al5Re
Al5 Re1
2
[ 1, 1, 1 ]
3
[ [ 2.44169278, -4.22913596, 0 ], [ 2.44169278, 4.22913596, 0 ], [ 0, 0, 4.68134075 ] ]
agm005420394
[ [ 2.44169278, 1.4097120148609066, 0 ], [ 2.44169278, -1.4097120148609064, 0 ], [ 1.22084639, -2.11456798, 2.340670375 ], [ 1.22084639, 2.11456798, 2.340670375 ], [ 2.44169278, 0, 2.340670375 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Al", "Al", "Al", "Al", "Re" ]
2023-11-16 06:57:59
[ 0.8333333333333334, 0.16666666666666666 ]
[ [ 3.4805098, 0, 0 ], [ 0, 3.4805098, 0 ], [ 0, 0, 3.4809282 ] ]
-28.590041
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000002
1.584158
pbe
true
20f947b7377378edace2a4b5287b3452_191_Al5Re1
[ "Ba", "Co", "La", "O", "Si" ]
42
A26B8C6DE
BaCoLa8O26Si6
Ba1 Co1 La8 O26 Si6
5
[ 1, 1, 1 ]
3
[ [ -0.00101778, 0.00193902, -7.23802303 ], [ -4.90473592, -8.50152804, 0.00158586 ], [ -4.90549923, 8.50196862, -0.00295455 ] ]
mp-1228420
[ [ -4.904870569625823, -2.833061018841275, -3.12863154878948 ], [ -8.578996396541294, 1.9718071571768565, -1.313070869212306 ], [ -3.8167094239626342, 6.447919887633902, -1.3133854559194722 ], [ -2.32143104527091, 0.08079645118143941, -1.311283659265766 ]...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Ba", "La", "La", "La", "La", "La", "La", "La", "La", "Co", "Si", "Si", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-13 04:08:05
[ 0.023809523809523808, 0.023809523809523808, 0.19047619047619047, 0.6190476190476191, 0.14285714285714285 ]
[ [ -11.95512439, -0.15024444, -0.14459975 ], [ -0.15024436, -12.04256637, -0.13359227 ], [ -0.14459977, -0.1335923, -13.56968262 ] ]
-339.932546
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 2.772, 0.001, 0.001, 0.002, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0, 0, 0, 0, 0.016, 0.014, 0.013, 0.029, 0.027, 0.026, 0, 0, 0, 0.003, 0.002, 0.003, 0.001, 0.001, 0.003, 0, 0 ]
[ [ 0.00379632, -0.00708413, 0.01987264 ], [ -0.09894292, 0.01756324, -0.02155535 ], [ 0.04424635, 0.03213024, -0.00725048 ], [ 0.02193332, -0.03353916, -0.01628808 ], [ 0.00625181, 0.04088753, 0.0530743 ], [ 0.02514192, -0.023845...
2.916
4.378048
pbe
true
2ac19537f7e50a4949d95f1b1a857825_1_Ba1La8Co1Si6O26
[ "As", "Bi", "W" ]
4
A2BC
AsBi2W
Bi2 As1 W1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.5640197, 3.5640197 ], [ 3.5640197, 0, 3.5640197 ], [ 3.5640197, 3.5640197, 0 ] ]
agm002637580
[ [ 0, 0, 0 ], [ 1.78200985, 1.78200985, 1.78200985 ], [ 5.34602955, 5.34602955, 5.34602955 ], [ 3.5640197, 3.5640197, 3.5640197 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "As", "Bi", "Bi", "W" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.9191138, 0, 0 ], [ 0, 0.9191138, 0 ], [ 0, 0, 0.9191138 ] ]
-21.466235
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.491278
pbe
true
4c78658dfcbfb9923516d5d9d1481104_225_Bi2As1W1
[ "Co", "Lu", "Mo" ]
4
A2BC
Co2LuMo
Co2 Lu1 Mo1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.080176909, 3.080176909 ], [ 3.080176909, 0, 3.080176909 ], [ 3.080176909, 3.080176909, 0 ] ]
oqmd-5733711
[ [ 0, 0, 0 ], [ 4.6202700000000005, 4.6202700000000005, 4.6202700000000005 ], [ 1.54009, 1.54009, 1.54009 ], [ 3.08018, 3.08018, 3.08018 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Co", "Co", "Lu", "Mo" ]
2024-11-01 00:00:00
[ 0.5, 0.25, 0.25 ]
[ [ 6.92288052, 0, 0 ], [ 0, 6.92288052, 0 ], [ 0, 0, 6.92288052 ] ]
-28.2736
[ -0.76, -0.49, 0.086, 0.158 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.951179
null
pbe
true
2e17d0ad9113f0cb72832e35cfe80f67_216_Lu1Co2Mo1
[ "Bi", "Mg", "Pa" ]
7
A4B2C
Bi4MgPa2
Mg1 Pa2 Bi4
3
[ 1, 1, 1 ]
3
[ [ 5.03662049, 0, 0 ], [ 0, 6.29403266, -1.77571203 ], [ 0, 0.28425653, 6.533544 ] ]
agm005993511
[ [ 2.518310245, 3.2891445950000002, 2.378915985 ], [ 0, 4.6973191589292975, 0.43194113377170074 ], [ 0, 1.8809700310707027, 4.325890836228299 ], [ 0, 5.047220207190774, 3.650466704611733 ], [ 0, 1.531068982809226, 1.1073652653882669 ], [...
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Pa", "Pa", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5714285714285714, 0.14285714285714285, 0.2857142857142857 ]
[ [ 0.38813475, 0, 0 ], [ 0, 0.5089196, 0.01129817 ], [ 0, 0.01129817, 0.50147 ] ]
-37.132942
[ 0, 0.092, 0.092, -0.003, -0.003, -0.004, -0.004 ]
[ [ 0, 0, 0 ], [ 0, -0.00203804, 0.00281784 ], [ 0, 0.00203804, -0.00281784 ], [ 0, 0.00024281, 0.00017562 ], [ 0, -0.00024281, -0.00017562 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.200002
5.842923
pbe
true
f6295a7f3938f718db8685fd183c5231_65_Mg1Pa2Bi4
[ "As", "Cd", "K" ]
4
A2BC
As2CdK
K1 Cd1 As2
3
[ 1, 1, 1 ]
3
[ [ 3.89967164, 0, 0 ], [ 0, 3.89972167, 0 ], [ 0, 0, 6.98316929 ] ]
agm003997017
[ [ 0, 0, 0.5269693678340261 ], [ 0, 0, 2.964615277165974 ], [ 1.94983582, 1.949860835, 1.7457923225 ], [ 1.94983582, 1.949860835, 5.2373769675 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "As", "As", "Cd", "K" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.2522426, 0, 0 ], [ 0, 2.2523003, 0 ], [ 0, 0, 2.2630634 ] ]
-11.784515
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00161288 ], [ 0, 0, -0.00161288 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
0.861231
pbe
true
e86191b1131fa90fbd30d11946e41ac5_123_K1Cd1As2
[ "Co", "Lu", "N" ]
4
A2BC
CoLuN2
Lu1 Co1 N2
3
[ 1, 1, 1 ]
3
[ [ 3.28681163, 0, 0 ], [ -1.64340581, 2.84646237, 0 ], [ 0, 0, 5.08274399 ] ]
agm002292244
[ [ -1.3100724972051219e-8, 1.8976415894882077, 1.0029620642128911 ], [ 0, 0, 3.2468419175446694 ], [ 0, 0, 5.040210215950803 ], [ 1.6434058331007249, 0.948820780511792, 2.6407107700186367 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Co", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.0273414, 0, 0 ], [ 0, 1.0273414, 0 ], [ 0, 0, 1.0870982 ] ]
-30.454974
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00102455 ], [ 0, 0, -0.00328463 ], [ 0, 0, 0.00264485 ], [ 0, 0, -0.00038477 ] ]
0.000419
2.436811
pbe
true
3502f831cb71eacfa2204e0718ea035b_156_Lu1Co1N2
[ "Ba", "Cr", "Na", "O", "Ru" ]
58
A17B6C2D2E2
Ba6Cr2Na2O17Ru2
Ba12 Cr4 Na4 O34 Ru4
5
[ 1, 1, 1 ]
3
[ [ 5.92461641, 0, 0 ], [ -2.9623087, 5.13086888, 0 ], [ 0, 0, 30.19064554 ] ]
mp-559863
[ [ 2.9623110023083696, 1.7102879163770401, 2.780446446939046 ], [ -0.000003292308370066444, 3.4205809636229603, 9.650185037812642 ], [ -0.000003292308370066444, 3.4205809636229603, 5.445137732187358 ], [ 2.9623110023083696, 1.7102879163770401, 20.5404605021...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Na", "Na", "Na", "Na", "Cr", "Cr", "Cr", "Cr", "Ru", "Ru", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-02-18 09:22:35
[ 0.20689655172413793, 0.06896551724137931, 0.06896551724137931, 0.5862068965517241, 0.06896551724137931 ]
[]
-380.410117
[ 0.014, 0.015, 0.015, 0.015, 0.014, 0.014, 0.014, 0.015, 0.015, 0.015, 0.001, 0.001, 0, 0, 0, 0, 1.283, 1.283, 1.283, 1.283, 1.852, 1.852, 1.852, 1.852, 0.22, 0.08, 0.22, 0.2, -0.055, 0.22, -0.074, 0.2, -0.052, 0.205, 0.205, -0.064, -0.055, 0....
[]
14.698
2.864413
pbe
true
93a4f92e46a64a036dfea3f18823ebf1_194_Ba12Na4Cr4Ru4O34
[ "Ba", "Cu", "F", "Mg", "Mo" ]
40
A14B2C2DE
Ba2CuF14MgMo2
Ba4 Cu2 F28 Mg2 Mo4
5
[ 1, 1, 1 ]
3
[ [ 5.30535027, 0.00459041, 0.00054164 ], [ -2.64727352, 7.20396767, -0.14531941 ], [ 0.00183881, 0.0766067, 15.2152749 ] ]
mp-1045901
[ [ -0.4677092922569104, 2.6717452916342874, 9.441605076247304 ], [ 0.4804337531143386, 2.633423856995983, 1.8354818153395 ], [ 3.12824642216406, 4.619769818208114, 5.638368857532361 ], [ 2.1862129327532527, 4.650270155681755, 13.242368968191162 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Ba", "Ba", "Ba", "Ba", "Mg", "Mg", "Cu", "Cu", "Mo", "Mo", "Mo", "Mo", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-27 10:42:52
[ 0.1, 0.05, 0.7, 0.05, 0.1 ]
[]
-217.58521
[ 0, 0, 0, 0, 0.001, 0.001, -0.679, -0.679, 2.751, 2.751, 2.752, 2.751, 0.019, 0.016, 0.016, 0.023, -0.057, -0.058, 0.016, 0.019, 0.015, 0.023, 0.014, 0.023, 0.014, 0.014, -0.057, 0.015, -0.047, 0.019, -0.047, -0.047, 0.016, 0.014, 0.015, -0.047, ...
[]
9.579
0.890547
pbe
true
8fd6becba95b9cbef77e7a65b615086d_1_Ba4Mg2Cu2Mo4F28
[ "Ba", "Cu", "F", "Mg", "Sb" ]
40
A14B2C2DE
Ba2CuF14MgSb2
Ba4 Cu2 F28 Mg2 Sb4
5
[ 1, 1, 1 ]
3
[ [ 5.35192894, -0.03163051, 0.03301501 ], [ -2.71813822, 7.28081301, -0.11975141 ], [ 0.09099396, 0.19686788, 16.22224051 ] ]
mp-1045695
[ [ -0.4246034494832309, 2.6978513780672824, 10.1351629039315 ], [ 0.4532849265530565, 2.5781813695087012, 2.0333707865769877 ], [ 3.1564380515973225, 4.745271444360305, 5.99613504244675 ], [ 2.2827637686531066, 4.86679010074549, 14.101596573397421 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Ba", "Ba", "Ba", "Ba", "Mg", "Mg", "Cu", "Cu", "Sb", "Sb", "Sb", "Sb", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-27 00:20:47
[ 0.1, 0.05, 0.7, 0.05, 0.1 ]
[]
-201.873681
[ 0.002, 0.002, 0.002, 0.002, 0, 0, 0.701, 0.702, 0, 0, 0.001, 0.001, 0.001, 0, 0, 0, 0.068, 0.068, 0.001, 0.001, 0, 0, 0.003, 0, 0.003, 0.003, 0.068, 0, 0.069, 0.001, 0.069, 0.068, 0.001, 0.003, 0, 0.068, 0.067, 0.001, 0, 0 ]
[]
1.976
1.049008
pbe
true
df2770ae6a99ec78a7b22c66329af296_1_Ba4Mg2Cu2Sb4F28
[ "Ba", "Cu", "F", "Mn", "Zn" ]
40
A14B2C2DE
Ba2CuF14Mn2Zn
Ba4 Cu2 F28 Mn4 Zn2
5
[ 1, 1, 1 ]
3
[ [ 5.36788507, -0.00539034, -0.00440783 ], [ -2.69086992, 6.93242542, -0.2840763 ], [ -0.01277651, -0.23588724, 14.81736394 ] ]
mp-1045867
[ [ -0.4053522403842526, 2.453558586422025, 9.176684781345443 ], [ 0.3763064684925336, 2.5603092429674397, 1.7623054917048029 ], [ 3.05301985268138, 4.24769529713369, 5.361591785940723 ], [ 2.2801354274799617, 4.119366782916055, 12.780509168601005 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ba", "Ba", "Ba", "Ba", "Mn", "Mn", "Mn", "Mn", "Zn", "Zn", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-27 08:17:43
[ 0.1, 0.05, 0.7, 0.1, 0.05 ]
[]
-209.658225
[ 0.001, 0.001, 0.001, 0.001, 3.833, 3.833, 3.834, 3.834, -0.001, -0.001, -0.702, -0.702, -0.01, -0.004, -0.003, -0.017, -0.062, -0.062, -0.003, -0.009, 0.04, -0.015, 0.001, -0.016, 0.001, 0, -0.061, 0.041, -0.027, -0.009, -0.026, -0.027, -0.003, 0.002...
[]
13.633
0.349262
pbe
true
007c7245b9d22dca3fb2fd5772ac8b86_1_Ba4Mn4Zn2Cu2F28
[ "Co", "Lu", "Se" ]
3
ABC
CoLuSe
Lu1 Co1 Se1
3
[ 1, 1, 1 ]
3
[ [ 3.66201786, 0, 0 ], [ 0, 3.66201786, 0 ], [ -1.83100893, -1.83100893, 4.14070467 ] ]
agm001847642
[ [ 1.831008948310089, 1.831008948310089, 3.6325208304753636 ], [ -8.988849293379246e-17, -8.988849293379246e-17, 2.59756366484536 ], [ 1.8310089116899104, 1.8310089116899104, 0.8091051622699359 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
[ "Lu", "Co", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.7306872, 0, 0 ], [ 0, 0.7306872, 0 ], [ 0, 0, 0.9921415 ] ]
-16.372908
[ -0.038, 0.157, 0.007 ]
[ [ 0, 0, 0.00074109 ], [ 0, 0, -0.00034401 ], [ 0, 0, -0.00039708 ] ]
0.109492
2.647659
pbe
true
07b4e039dfadae65d0566d084acd9da1_107_Lu1Co1Se1
[ "Ba", "Cu", "F", "Sn", "Zn" ]
40
A14B2C2DE
Ba2CuF14Sn2Zn
Ba4 Cu2 F28 Sn4 Zn2
5
[ 1, 1, 1 ]
3
[ [ 5.46561924, 0.04116319, -0.07222153 ], [ -2.67638565, 7.37153082, -0.09825706 ], [ -0.2031131, 0.10825913, 15.52013123 ] ]
mp-1045777
[ [ -0.5961776945026894, 2.648344776106316, 9.520747988936849 ], [ 0.4902575447015623, 2.6015316456349495, 2.0006943858270074 ], [ 3.1418700502857635, 4.7075546187928845, 5.636544478924364 ], [ 2.1228564896219186, 4.887880864023501, 13.485526505358619 ], ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ba", "Ba", "Ba", "Ba", "Zn", "Zn", "Cu", "Cu", "Sn", "Sn", "Sn", "Sn", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2017-11-27 02:03:12
[ 0.1, 0.05, 0.7, 0.1, 0.05 ]
[]
-193.891634
[ 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0.001
2.763275
pbe
true
1765b195c53ea549af9cf33fb80cb09c_1_Ba4Zn2Cu2Sn4F28
[ "Al", "Re" ]
8
A7B
AlRe7
Al1 Re7
2
[ 1, 1, 1 ]
3
[ [ 0, 3.91150554, 3.91150554 ], [ 3.91150554, 0, 3.91150554 ], [ 3.91150554, 3.91150554, 0 ] ]
agm005491686
[ [ 0, 0, 0 ], [ 1.95575277, 1.95575277, 0 ], [ 0, 1.95575277, 1.95575277 ], [ 1.95575277, 0, 1.95575277 ], [ 1.95575277, 1.95575277, 3.91150554 ], [ 3.91150554, 1.95575277, 1.95575277 ], [ 1.95575277, 3.91150554, ...
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Re", "Re", "Re", "Re", "Re", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.125, 0.875 ]
[ [ 18.359589, 0, 0 ], [ 0, 18.359589, 0 ], [ 0, 0, 18.359589 ] ]
-89.710856
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000021
8.518823
pbe
true
bc4f448824de5d8e09dbea14420b7f78_225_Al1Re7
[ "Ba", "Cu", "K", "N", "O" ]
22
A12B6C2DE
BaCuK2N6O12
K2 Ba1 Cu1 N6 O12
5
[ 1, 1, 1 ]
3
[ [ 7.90893593, 0.00347022, -0.00475278 ], [ 4.17674491, 6.69317944, -0.00528557 ], [ 3.73219103, 2.03674318, 6.37211793 ] ]
agm003227943
[ [ 3.9544679675000003, 2.18334821, 1.590519895 ], [ 11.8634039025, 6.55004463, 4.771559685 ], [ 7.908935935000001, 4.36669642, 3.18103979 ], [ 0, 0, 0 ], [ 10.225750840222895, 2.922496350555813, 5.159000199177529 ], [ 5.5921210297771...
[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "K", "K", "Ba", "Cu", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.045454545454545456, 0.045454545454545456, 0.09090909090909091, 0.2727272727272727, 0.5454545454545454 ]
[ [ 0.60181624, -0.01213354, 0.01661796 ], [ -0.01213354, 0.59787804, -0.00454465 ], [ 0.01661796, -0.00454465, 0.60078406 ] ]
-134.888094
[ 0, 0, 0.008, 0.499, 0.07, 0.07, 0.003, 0.003, 0.065, 0.065, 0.026, 0.026, 0.026, 0.002, 0.002, 0.002, 0.022, 0.022, 0.022, 0.022, 0.002, 0.026 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00537823, 0.00335255, -0.00459162 ], [ 0.00537823, -0.00335255, 0.00459162 ], [ -0.00396953, -0.00221436, 0.00303276 ], [ 0.00396953, 0.002...
1.0566
1.082986
pbe
true
c99952fbfffe580eea8b6e46e12dcf40_69_K2Ba1Cu1N6O12
[ "As", "In", "Se" ]
3
ABC
AsInSe
In1 As1 Se1
3
[ 1, 1, 1 ]
3
[ [ 6.27028273, 0.0060824, 1e-8 ], [ 4.09779896, 4.74600107, 1e-8 ], [ -5.18404158, -2.37604207, 2.60703269 ] ]
agm003954479
[ [ 0.4764375112858377, 0.2183693078009851, 9.190466e-10 ], [ 1.1884891513385591, 0.5447294724993896, 2.6070327022925937 ], [ -1.6649280289435797, -0.7630994027795399, 2.60703269678836 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "As", "Se", "In" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 1.8468933, 0.13240996, -4.4e-7 ], [ 0.13240996, 1.6186901, -2e-7 ], [ -4.4e-7, -2e-7, 1.5579995 ] ]
-10.638892
[ 0, 0, 0 ]
[ [ 0.00283196, 0.001298, 0 ], [ 0.00111872, 0.00051275, 0 ], [ -0.00395068, -0.00181075, 0 ] ]
-0.000001
1.117721
pbe
true
e53fa2d6692b450bfbc0c5cd67273d4f_107_In1As1Se1
[ "Al", "Re" ]
12
AB
AlRe
Al6 Re6
2
[ 1, 1, 1 ]
3
[ [ 7.91184, 0, 0 ], [ -3.95592, 6.85185443, 0 ], [ 0, 0, 4.30854 ] ]
agm004469470
[ [ 3.955919999999999, 4.0284792935742, 1.077135 ], [ -1.5108054072, 5.4401668617871, 3.2314049999999996 ], [ 2.4451145928, 1.4116875682129, 1.077135 ], [ 3.772893535369803e-17, 2.8233751364258, 3.2314049999999996 ], [ 5.466725407199999, 1.411687...
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Al", "Al", "Al", "Al", "Al", "Re", "Re", "Re", "Re", "Re", "Re" ]
2023-11-16 06:57:59
[ 0.5, 0.5 ]
[ [ 7.438091, 0, 0 ], [ 0, 7.438091, 0 ], [ 0, 0, 7.860611 ] ]
-96.59205
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00001632, 0 ], [ 0.00001413, -0.00000816, 0 ], [ 0.00001413, 0.00000816, 0 ], [ 0, 0.00001632, 0 ], [ -0.00001413, 0.00000816, 0 ], [ -0.00001413, -0.00000816, 0 ], [ 0, 0.01312491, 0 ], [ -0....
-0.000001
7.156439
pbe
true
f7c30908cb1cd1aadca5fe4c089aa372_194_Al6Re6
[ "Ac", "La", "Pr", "Sm" ]
10
A2BCD
AcLaPrSm2
Ac2 La2 Pr2 Sm4
4
[ 1, 1, 1 ]
3
[ [ 6.04346554, 0, 0 ], [ 0, 6.45981583, 1.12180352 ], [ 0, 1.5803067, 9.8741619 ] ]
agm004998997
[ [ 4.532599155, 3.9663633596737555, 2.5927836416646532 ], [ 1.510866385, 4.073759170326245, 8.403181778335348 ], [ 4.532599155, 3.2629402471086397, 6.306127797872931 ], [ 1.510866385, 4.77718228289136, 4.689837622127069 ], [ 1.510866385, 6.98147...
[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Ac", "Ac", "La", "La", "Pr", "Pr", "Sm", "Sm", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.83952177, 0, 0 ], [ 0, 0.86004096, -0.01093629 ], [ 0, -0.01093643, 0.8737767 ] ]
-46.098179
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00419142, -0.00008137 ], [ 0, -0.00419142, 0.00008137 ], [ 0, 0.00419089, 0.00050536 ], [ 0, -0.00419089, -0.00050536 ], [ 0, -0.00187674, -0.00124033 ], [ 0, 0.00187674, 0.00124033 ], [ 0, -0.0006392, ...
0.000016
17.04104
pbe
true
4cf70491eedfb970551e90248e783ae2_11_Ac2La2Pr2Sm4
[ "Ba", "Cu", "Nd", "O", "Ti" ]
19
A11B2C2D2E2
Ba2Cu2Nd2O11Ti2
Ba2 Cu2 Nd2 O11 Ti2
5
[ 1, 1, 1 ]
3
[ [ 3.93789264, 0, 0 ], [ 0, 3.93789264, 0 ], [ 0, 0, 16.03637035 ] ]
mp-557043
[ [ 1.96894632, 1.96894632, 3.748454422383671 ], [ 1.96894632, 1.96894632, 12.287915927616329 ], [ 1.96894632, 1.96894632, 0 ], [ 1.96894632, 1.96894632, 8.018185175 ], [ 0, 0, 10.032855550079361 ], [ 0, 0, 6.003514799920637 ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ba", "Ba", "Nd", "Nd", "Ti", "Ti", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-03-21 17:50:18
[ 0.10526315789473684, 0.10526315789473684, 0.10526315789473684, 0.5789473684210527, 0.10526315789473684 ]
[]
-141.66773
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
4.008478
pbe
true
267e283c3a36d332ddb806fe0c431404_123_Ba2Nd2Ti2Cu2O11
[ "As", "Ir", "Pb" ]
4
A2BC
As2IrPb
As2 Ir1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 4.68752427, 0, 0 ], [ 0, 4.1237795, 0 ], [ 0, 0, 4.1237795 ] ]
agm004171215
[ [ 2.343762135, 0, 2.06188975 ], [ 0, 0, 0 ], [ 0, 2.06188975, 2.06188975 ], [ 2.343762135, 2.06188975, 0 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Pb", "As", "As", "Ir" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.430175, 0, 0 ], [ 0, 3.9175, 0 ], [ 0, 0, 3.9175 ] ]
-19.740036
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
1.831893
pbe
true
561247baae80e4cc52ddecf44a929a8d_123_As2Ir1Pb1
[ "Bi", "Mg", "Ru" ]
5
A3BC
BiMgRu3
Mg1 Bi1 Ru3
3
[ 1, 1, 1 ]
3
[ [ 4.96827253, 0, 0 ], [ 0, 4.96827253, 0 ], [ 0, 0, 4.96827253 ] ]
agm002521185
[ [ 0, 2.484136265, 0 ], [ 0, 0, 2.484136265 ], [ 2.484136265, 0, 0 ], [ 2.484136265, 2.484136265, 2.484136265 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Ru", "Ru", "Ru", "Mg", "Bi" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 3.559376, 0, 0 ], [ 0, 3.559376, 0 ], [ 0, 0, 3.559376 ] ]
-24.966616
[ 1.052, 1.196, 0.847, -0.021, -0.097 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.980479
5.208027
pbe
true
a775110a35325adce4846ad630c00503_221_Mg1Bi1Ru3
[ "Bi", "Mg", "Sb" ]
3
ABC
BiMgSb
Mg1 Bi1 Sb1
3
[ 1, 1, 1 ]
3
[ [ 5.0287034, 0, 0 ], [ 2.5143517, 4.3549849, 0 ], [ 2.5143517, 1.45166163, 4.10591914 ] ]
agm001240540
[ [ 5.0287034, 2.903323265, 2.05295957 ], [ 2.5143517, 1.4516616325, 1.026479785 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Sb", "Mg", "Bi" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.09233002, 0, 0 ], [ 0, 0.09233002, 0 ], [ 0, 0, 0.09233002 ] ]
-9.778703
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
0.642251
pbe
true
a81b3f9c34656f42ce12418aff78688a_216_Mg1Bi1Sb1
[ "Bi", "Mg", "Sc" ]
4
A2BC
BiMgSc2
Mg1 Sc2 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.48392762, 0, 0 ], [ 2.24196381, 3.88319522, 0 ], [ 2.24196381, 1.29439841, 6.44332936 ] ]
agm005121803
[ [ 4.483927597580362, 2.58879680207544, 3.2592115710130596 ], [ 2.24196381, 1.2943984092465468, 4.9869050292163335 ], [ 2.241963787580362, 1.2943983944632957, 1.4316042394891848 ], [ 6.725889165616553, 3.8831939159843554, 6.430596116952061 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Mg", "Sc", "Sc", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.8911258, 0, 0 ], [ 0, 1.8911258, 0 ], [ 0, 0, 1.8284351 ] ]
-18.498389
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.0073134 ], [ 0, 0, 0.00103217 ], [ 0, 0, -0.00651958 ], [ 0, 0, -0.001826 ] ]
-0.000003
2.776415
pbe
true
e4ff1501efbad1f70ddd43e14d320e7c_160_Mg1Sc2Bi1
[ "N", "Rb", "Te" ]
4
A2BC
N2RbTe
Rb1 Te1 N2
3
[ 1, 1, 1 ]
3
[ [ 2.63379907, 0, 7.04692321 ], [ -1.31689953, 2.2809369, 7.04692321 ], [ -1.31689953, -2.2809369, 7.04692321 ] ]
agm002769975
[ [ 0, 0, 0 ], [ 4.999999969612645e-9, 0, 10.570384815 ], [ 9.092206496278289e-9, 1.0679011576999642e-16, 19.221624727304253 ], [ 9.077932896071419e-10, -1.182704086635411e-17, 1.9191449026957481 ] ]
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Te", "Rb", "N", "N" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.26923415, 0, 0 ], [ 0, 0.26923415, 0 ], [ 0, 0, 1.1997378 ] ]
-16.341482
[ 0.091, 0.011, 0.297, 0.297 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.02018108 ], [ 0, 0, 0.02018108 ] ]
0.999666
2.13703
pbe
true
9c52ceb58ed2edc237f5575227629bf3_166_Rb1Te1N2
[ "Ba", "Dy", "O", "Pt", "Zn" ]
102
A57B17C16D8E4
Ba17Dy16O57Pt4Zn8
Ba17 Dy16 O57 Pt4 Zn8
5
[ 1, 1, 1 ]
3
[ [ 5.68354697, 0.00004903, 1.00499413 ], [ 2.84192117, 16.36155946, 0.50246152 ], [ -0.00735412, -0.00003642, 16.61417343 ] ]
mp-556377
[ [ 4.285374759263886, 10.24261569019997, 8.91309518602684 ], [ 6.145303526394548, 6.358317023200582, 14.966464240470037 ], [ 5.658812019264742, 11.326525418066492, 1.1463284539763823 ], [ 4.232739260736114, 6.118956379800026, 9.20853389397316 ], [ 5...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn"...
2014-02-23 05:41:56
[ 0.16666666666666666, 0.1568627450980392, 0.5588235294117647, 0.0392156862745098, 0.0784313725490196 ]
[]
-688.69477
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
2.650203
pbe
true
eeb5a8a56517c55314c0495e3c076f08_87_Ba17Dy16Zn8Pt4O57
[ "Ba", "Er", "Ir", "O", "Ru" ]
30
A9B3CDE
Ba3ErIrO9Ru
Ba6 Er2 Ir2 Ru2 O18
5
[ 1, 1, 1 ]
3
[ [ 5.93720777, 0, 0 ], [ -2.9686032, 5.14177315, 0 ], [ 0, 0, 14.62715841 ] ]
agm003239493
[ [ 0, 0, 3.6504493144156016 ], [ 0, 0, 10.964028519415601 ], [ -0.000002511936990169406, 3.42785048059105, 8.633865870142722 ], [ 2.96860708193699, 1.7139226694089498, 5.951869743684414 ], [ 2.96860708193699, 1.7139226694089498, 1.3202866651...
[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]
[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Er", "Er", "Ir", "Ir", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.06666666666666667, 0.06666666666666667, 0.6, 0.06666666666666667 ]
[ [ 0.76202947, 1e-7, 0 ], [ 1e-7, 0.7620296, 0 ], [ 0, 0, 0.8557465 ] ]
-211.495051
[ 0.006, 0.006, 0.005, 0.001, 0.005, 0.001, -0.007, -0.007, -0.07, -0.07, 1.032, 1.032, 0.058, 0.058, 0.058, 0.058, 0.058, 0.058, 0.084, 0.084, 0.084, -0.006, -0.006, -0.006, 0.084, 0.084, 0.084, -0.006, -0.006, -0.006 ]
[ [ 0, 0, -0.00065821 ], [ 0, 0, -0.00065821 ], [ 0, 0, -0.00260357 ], [ 0, 0, -0.00194579 ], [ 0, 0, -0.00260357 ], [ 0, 0, -0.00194579 ], [ 0, 0, -0.00008671 ], [ 0, 0, -0.00008671 ], [ ...
3.072377
12.263333
pbe
true
5fc7eecf238a0531d179c80dd398bfa4_186_Ba6Er2Ir2Ru2O18
[ "N", "Ru", "Zr" ]
16
A2BC
NRuZr2
Zr8 Ru4 N4
3
[ 1, 1, 1 ]
3
[ [ 4.52116019, 0, 0 ], [ 0, 12.0196693, 0 ], [ 0, 0, 4.60287876 ] ]
agm002108101
[ [ 0, 1.329604639673551, 1.15071969 ], [ 0, 10.690064660326449, 3.4521590700000004 ], [ 2.260580095, 7.339439289673551, 1.15071969 ], [ 2.260580095, 4.680230010326449, 3.4521590700000004 ], [ 0, 4.807785385265295, 1.15071969 ], [ 0, ...
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Ru", "Ru", "Ru", "Ru", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.29257092, 0, 0 ], [ 0, 0.32249594, 0 ], [ 0, 0, 0.35685465 ] ]
-154.848432
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00500264, 0 ], [ 0, -0.00500264, 0 ], [ 0, 0.00500264, 0 ], [ 0, -0.00500264, 0 ], [ 0, 0.00008075, 0 ], [ 0, -0.00008075, 0 ], [ 0, 0.00008075, 0 ], [ 0, -0.00008075, 0 ], [ 0,...
0
8.426137
pbe
true
f7c547bc67e0ad5067d277f8c3de5174_63_Zr8Ru4N4
[ "Ba", "Eu", "O", "Sb", "Sm" ]
40
A6BCDE
BaEuO6SbSm
Ba4 Eu4 O24 Sb4 Sm4
5
[ 1, 1, 1 ]
3
[ [ 8.51920032, 0, 0 ], [ 0, 8.52216004, 0 ], [ 0, 0, 8.50785355 ] ]
mp-1516671
[ [ 0, 0, 0 ], [ 4.25960016, 4.26108002, 4.253926775 ], [ 0, 4.26108002, 0 ], [ 0, 0, 4.253926775 ], [ 2.15345338411247, 2.1360557224210885, 2.1321900171713715 ], [ 6.365746935887529, 6.386104317578911, 2.1321900171713715 ],...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ba", "Ba", "Ba", "Ba", "Sm", "Sm", "Sm", "Sm", "Eu", "Eu", "Eu", "Eu", "Sb", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 08:57:24
[ 0.1, 0.1, 0.6, 0.1, 0.1 ]
[ [ 2.72956994, 0, 0 ], [ 0, 3.45070496, 0 ], [ 0, 0, 3.10958732 ] ]
-306.599681
[ -0.001, 0, 0.001, -0.001, 0, 0, 0, 0, 6.851, -6.842, 6.837, -6.848, 0, 0, 0, 0, -0.004, -0.004, -0.004, -0.004, 0.012, 0.012, 0.012, 0.012, -0.002, -0.002, -0.002, -0.002, -0.005, -0.005, -0.005, -0.005, -0.009, -0.009, -0.009, -0.009, 0.008, ...
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00763643, -0.01915016, -0.03689173 ], [ 0.00763643, 0.01915016, -0.03689173 ], [ 0.00763643, -0.01915016, 0.03689173 ], [ -0.00763643, 0.01...
-0.003
6.19649
pbe
true
c2999d4d03280a6e6179496d3dc992e5_16_Ba4Sm4Eu4Sb4O24
[ "Ba", "Eu", "O", "Sn", "W" ]
40
A6BCDE
BaEuO6SnW
Ba4 Eu4 O24 Sn4 W4
5
[ 1, 1, 1 ]
3
[ [ 8.63234665, 0, 0 ], [ 0, 8.67337432, 0 ], [ 0, 0, 8.58207652 ] ]
mp-1516734
[ [ 0, 0, 0 ], [ 4.316173325, 4.33668716, 4.29103826 ], [ 4.316173325, 0, 0 ], [ 0, 0, 4.29103826 ], [ 0, 4.33668716, 4.29103826 ], [ 4.316173325, 0, 4.29103826 ], [ 4.316173325, 4.33668716, 0 ], [ 0, ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Ba", "Ba", "Ba", "Ba", "Eu", "Eu", "Eu", "Eu", "Sn", "Sn", "Sn", "Sn", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-05-08 11:25:49
[ 0.1, 0.1, 0.6, 0.1, 0.1 ]
[ [ 10.08561906, 0, 0 ], [ 0, 12.32648855, 0 ], [ 0, 0, 12.26808071 ] ]
-301.893643
[ 0.004, 0.003, 0.003, 0.004, 6.771, 6.845, 6.758, 6.724, 0.006, 0.006, 0.006, 0.006, 0.136, 0.136, 0.136, 0.136, -0.004, -0.004, -0.004, -0.004, -0.006, -0.006, -0.006, -0.006, -0.019, -0.019, -0.019, -0.019, -0.018, -0.018, -0.018, -0.018, -0.011, -0...
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0166223, 0.05099836, 0.0034318 ], [ 0.0166223, -0.05099...
27.392
5.622179
pbe
true
f0ad2426c3a982b1abef588322d5bc9c_16_Ba4Eu4Sn4W4O24
[ "Bi", "Mg", "Se" ]
5
A3BC
Bi3MgSe
Mg1 Bi3 Se1
3
[ 1, 1, 1 ]
3
[ [ 5.59076742, 0, 0 ], [ 0, 5.59076742, 0 ], [ 0, 0, 5.59076742 ] ]
agm002518106
[ [ 2.79538371, 2.79538371, 2.79538371 ], [ 0, 2.79538371, 0 ], [ 0, 0, 2.79538371 ], [ 2.79538371, 0, 0 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Bi", "Bi", "Bi", "Se" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 0.2308728, 0, 0 ], [ 0, 0.2308728, 0 ], [ 0, 0, 0.2308728 ] ]
-14.402551
[ 0, -0.002, 0.002, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
4.058492
pbe
true
d147fb852a8a4ddf5e22e7cedbe54d3c_221_Mg1Bi3Se1
[ "Ba", "Fe", "H", "O", "P" ]
56
A17B4C4D2E
BaFe2H4O17P4
Ba2 Fe4 H8 O34 P8
5
[ 1, 1, 1 ]
3
[ [ 0, 8.10592322, 0 ], [ 0.04970171, 0, 9.41658613 ], [ 8.48846262, 0, -4.35065425 ] ]
mp-1228787
[ [ 7.214770028334631, 6.870969524527327, 2.6433627252999816 ], [ 1.3233943016653689, 2.818007914527328, 2.4225691547000197 ], [ 6.343914434987219, 2.753327753963356, 3.9627297532138313 ], [ 2.194249895012781, 6.806289363963356, 1.1032021267861702 ], [ ...
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Ba", "Ba", "Fe", "Fe", "Fe", "Fe", "P", "P", "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2019-01-13 04:27:34
[ 0.03571428571428571, 0.07142857142857142, 0.14285714285714285, 0.6071428571428571, 0.14285714285714285 ]
[ [ 1.7860859, 0, -0.31241516 ], [ 0, -0.00906358, 0 ], [ -0.3124152, 0, -1.79714899 ] ]
-365.621036
[ 0.009, 0.009, 4.414, 4.414, 4.414, 4.414, 0.014, 0.014, 0.015, 0.015, 0.011, 0.011, 0.013, 0.013, 0, 0, 0.001, 0.001, 0, 0, 0, 0, 0.069, 0.069, 0.006, 0.006, 0.066, 0.066, -0.066, -0.066, 0.058, 0.058, 0.043, 0.043, 0.075, 0.075, 0.073, 0.073...
[ [ 0.00827114, -0.00468008, -0.01971033 ], [ -0.00827114, -0.00468008, 0.01971033 ], [ -0.0207925, -0.05591997, 0.01197886 ], [ 0.0207925, -0.05591997, -0.01197886 ], [ 0.04027204, -0.00676204, -0.00998906 ], [ -0.04027204, -0.00...
16.324
0.754626
pbe
true
519835eaeb874276aac38e01130498ca_4_Ba2Fe4P8H8O34
[ "Al", "Au", "Pt", "Sr" ]
6
A2B2CD
Al2Au2PtSr
Sr1 Al2 Pt1 Au2
4
[ 1, 1, 1 ]
3
[ [ 4.77501418, 0, 0 ], [ 0, 4.77501418, 0 ], [ 0, 0, 5.92470969 ] ]
agm004747951
[ [ 0, 0, 2.962354845 ], [ 2.38750709, 0, 0 ], [ 0, 2.38750709, 0 ], [ 0, 0, 0 ], [ 2.38750709, 2.38750709, 4.364348996469926 ], [ 2.38750709, 2.38750709, 1.560360693530075 ] ]
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
[ "Sr", "Al", "Al", "Pt", "Au", "Au" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]
[ [ 3.6242707, 0, 0 ], [ 0, 3.6242707, 0 ], [ 0, 0, 3.4500709 ] ]
-25.395585
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00116001 ], [ 0, 0, 0.00116001 ] ]
0
1.819902
pbe
true
f05c5c7e6a0d0cc204f1c1335ef469cf_123_Sr1Al2Pt1Au2
[ "N", "Se", "Si" ]
10
A2B2C
N2SeSi2
Si4 Se2 N4
3
[ 1, 1, 1 ]
3
[ [ 3.19814155, 2.9e-7, 0 ], [ 0.00012851, 12.12389139, 0 ], [ 0, 0, 16.83845838 ] ]
agm2000067004
[ [ 3.1680322473300127, 6.506640498096679, 8.824606319500141 ], [ 3.167987757655658, 2.2399999126944623, 8.014002764702358 ], [ 1.5688972173287272, 0.4446945368577651, 8.82460665626931 ], [ 1.5689812696357885, 8.301945341455552, 8.01400326985611 ], [ ...
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Si", "Si", "Si", "Si", "Se", "Se", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 0.03240126, 0.0000011, -4.5e-7 ], [ 0.0000011, 0.10383087, -0.04203131 ], [ -4.5e-7, -0.04203091, -0.15549605 ] ]
-65.146779
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00051732, -0.00140032, -0.00193415 ], [ 0.00051735, 0.00140032, 0.00193415 ], [ 0.00051732, -0.00140032, -0.00193415 ], [ 0.00051735, 0.00140032, 0.00193415 ], [ 0.00243867, 0, 0 ], [ 0.00243867, 0, 0 ], [ -0.001...
0
0
pbe
true
0b23b666f20fd002813c094ba1d45a09_5_Si4Se2N4
[ "N", "Se", "Sr" ]
80
A12B5C3
N5Se3Sr12
Sr48 Se12 N20
3
[ 1, 1, 1 ]
3
[ [ 14.46997, 0, 0 ], [ -4.82332334, 13.64241855, 0 ], [ -4.82332334, -6.82120928, 11.81468103 ] ]
agm001254100
[ [ 8.440815829999998, 4.26325579625, 1.47683512875 ], [ 8.4408158275, 9.3791627525, 1.47683512875 ], [ -1.2058308425000004, 5.9685581125, 7.38417564375 ], [ 1.2058308299999998, -0.8526511612499998, 4.430505386249999 ], [ 10.852477497499999, -1.2...
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", ...
2023-11-16 06:57:59
[ 0.25, 0.15, 0.6 ]
[ [ 0.15277456, 0, 0 ], [ 0, 0.15277456, 0 ], [ 0, 0, 0.15277456 ] ]
-356.923545
[ -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.001, -0.007, -0.002, -0.002, -0.007, -0.002, -0.002, -0.007, -0.007, -0.007, -0.007, -0.007, -0.002, -0.002, -0.002, -0.007, -0.007, -0.002, -0.007, -0.007, -0.007...
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ],...
3.626265
33.33649
pbe
true
23fe2f18de7086f577bf753e9cad6fc4_230_Sr48Se12N20
[ "Ba", "Fe", "O", "Tl", "Zn" ]
19
A10B3C2D2E2
Ba2Fe3O10Tl2Zn2
Ba2 Tl2 Zn2 Fe3 O10
5
[ 1, 1, 1 ]
3
[ [ 3.97395494, 0.00890273, 0.0077047 ], [ -0.02593998, 4.01729848, 0.03638576 ], [ -1.25291933, -1.35718084, 17.71849677 ] ]
agm005526205
[ [ 0.013605804850884976, 0.3380831433051541, 1.5796931957997629 ], [ 2.5937464057717636, -1.164745846231489, 16.145089821797264 ], [ 0.4754249697856773, 0.6620419093315205, 10.009667577652182 ], [ 2.4537561810212276, 2.6958296572487095, 7.771414999685681 ...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "Tl", "Tl", "Ba", "Ba", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Fe", "Fe", "Fe" ]
2023-11-16 06:57:59
[ 0.10526315789473684, 0.15789473684210525, 0.5263157894736842, 0.10526315789473684, 0.10526315789473684 ]
[ [ 0.6821571, 0.02033903, -0.00444318 ], [ 0.02033836, 0.88248605, 0.0167457 ], [ -0.00444279, 0.01674576, 0.8520955 ] ]
-103.390329
[ 0.01, 0.01, -0.01, -0.011, -0.002, -0.001, 0.042, 0.012, 0.038, -0.017, 0.044, 0.043, 0.01, 0.042, -0.015, 0.045, 3.695, 3.698, 3.71 ]
[ [ -0.0009191, 0.00175827, -0.00033565 ], [ -0.00092194, 0.00672419, -0.00030908 ], [ -0.00095646, -0.0014631, -0.00303465 ], [ -0.00123798, 0.00073772, -0.00039587 ], [ -0.00005185, -0.00247479, 0.00276834 ], [ -0.00062628, 0.00...
11.506917
1.950716
pbe
true
a7eab484df16cfeb1566363853673db6_1_Ba2Tl2Zn2Fe3O10
[ "N", "W", "Zr" ]
4
A2BC
N2WZr
Zr1 W1 N2
3
[ 1, 1, 1 ]
3
[ [ 0, 2.77877727, 2.77877727 ], [ 2.77877727, 0, 2.77877727 ], [ 2.77877727, 2.77877727, 0 ] ]
agm002708193
[ [ 0, 0, 0 ], [ 2.77877727, 2.77877727, 2.77877727 ], [ 1.389388635, 1.389388635, 1.389388635 ], [ 4.168165905, 4.168165905, 4.168165905 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Zr", "W", "N", "N" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.7966888, 0, 0 ], [ 0, 0.7966888, 0 ], [ 0, 0, 0.7966888 ] ]
-39.259385
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0
pbe
true
56885ef204d5d2e51bc34b8e4a5dd663_225_Zr1W1N2
[ "Bi", "Mg", "Sn" ]
10
A2B2C
BiMg2Sn2
Mg4 Sn4 Bi2
3
[ 1, 1, 1 ]
3
[ [ 8.82290766, 0, 0 ], [ 0, 8.82290766, 0 ], [ 0, 0, 3.38275584 ] ]
agm002994020
[ [ 1.1565315284433246, 5.567985358443325, 1.69137792 ], [ 5.567985358443325, 7.666376131556675, 1.69137792 ], [ 7.666376131556675, 3.2549223015566757, 1.69137792 ], [ 3.2549223015566757, 1.1565315284433246, 1.69137792 ], [ 0, 0, 0 ], [ ...
[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Mg", "Mg", "Bi", "Bi", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 3.6467807, 0, 0 ], [ 0, 3.6467807, 0 ], [ 0, 0, -0.50524354 ] ]
-30.730921
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.01393611, 0.01393611, 0 ], [ 0.01393611, -0.01393611, 0 ], [ -0.01393611, -0.01393611, 0 ], [ -0.01393611, 0.01393611, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00015949, -0.00015949, 0 ], [ -0.00015949...
0
5.8711
pbe
true
51dfacc4a7dc9c2dc16f3a602004d7b9_127_Mg4Sn4Bi2