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
[ "Li", "Ni", "O", "P" ]
48
A7B2C2D
Li2NiO7P2
Li8 Ni4 O28 P8
4
[ 1, 1, 1 ]
3
[ [ 3.94139897, 6.45113065, -0.04772919 ], [ -3.94139897, 6.45113065, 0.04772919 ], [ -0.32750895, 0, 10.95475571 ] ]
mp-765564
[ [ -0.38219898792255175, 3.7170637444056673, 10.936148542841929 ], [ -0.21844451292255154, 9.185197555594332, 5.458770687841928 ], [ -0.24563171250000007, 3.6676312461756706, 8.2160667825 ], [ -0.24563171250000018, 9.117765628715158, 8.2160667825 ], [ ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-02-16 04:28:22
[ 0.16666666666666666, 0.08333333333333333, 0.5833333333333334, 0.16666666666666666 ]
[]
-307.096778
[ 0, 0, 0, 0, 0, 0, 0, 0, 1.81, 1.81, 1.81, 1.81, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.003, 0.027, 0.027, 0.026, 0.026, 0.024, 0.024, 0.027, 0.027, 0.004, 0.003, 0.004, 0.004, 0.004, 0.004, 0.003, 0.004, 0.027, 0...
[]
7.722
1.484498
pbe
true
2c98ec543d97eb1ab1162a0e2d5076c2_15_Li8Ni4P8O28
[ "Li", "Ni", "O", "P" ]
52
A8B2C2D
LiNi2O8P2
Li4 Ni8 O32 P8
4
[ 1, 1, 1 ]
3
[ [ 10.01811004, 0, 0 ], [ 0, 14.02993068, 0 ], [ 0, 0, 4.97831258 ] ]
mp-766097
[ [ 2.2642405359819895, 10.534175909654024, 2.7375370988795305 ], [ 2.7448144840180104, 3.5192105696540255, 2.7375370988795305 ], [ 7.273295555981989, 10.534175909654024, 2.2407754811204694 ], [ 7.75386950401801, 3.5192105696540255, 2.2407754811204694 ], ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-02-16 11:57:41
[ 0.07692307692307693, 0.15384615384615385, 0.6153846153846154, 0.15384615384615385 ]
[]
-322.227206
[ 0.001, 0.001, 0.001, 0.001, 2.056, 1.814, 1.814, 2.056, 2.056, 1.814, 1.814, 2.056, 0.003, 0.002, 0.002, 0.003, 0.003, 0.002, 0.002, 0.003, 0.204, 0.09, 0.11, 0.217, 0.031, 0.111, 0.095, 0.033, 0.034, 0.096, 0.111, 0.031, 0.216, 0.11, 0.091, 0.20...
[]
19.07
0.661261
pbe
true
4ccff1ce376ab3f4a8f203d90d804830_29_Li4Ni8P8O32
[ "Li", "Ni", "O", "P" ]
56
A4BCD
LiNiO4P
Li8 Ni8 O32 P8
4
[ 1, 1, 1 ]
3
[ [ 7.54523716, 0, 0.18592764 ], [ 0, 4.85470608, 0 ], [ -0.10352337, 0, 18.00657369 ] ]
mp-850709
[ [ 0.0461503929576513, 3.7202732186262044, 10.5915591348012 ], [ 0.09791207795765129, 3.561785901373795, 1.5882722898011992 ], [ 3.7363249218642562, 1.738103231468352, 14.84625036335311 ], [ 3.788086606864256, 0.689249808531648, 5.842963518353112 ], [ ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-07-05 23:38:30
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[]
-347.540914
[ 0.001, 0.001, 0, 0, 0, 0, 0.001, 0.001, 1.781, 1.781, 1.778, 1.778, 1.778, 1.778, 1.781, 1.781, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.076, 0.076, 0.046, 0.026, 0.039, 0.02, 0.046, 0.026, 0.039, 0.02, 0.025, 0.025, 0.035, 0...
[]
15.536
1.557787
pbe
true
78b7b2d62b4ae8c956acc02752739ba5_14_Li8Ni8P8O32
[ "Mg", "Re", "Tl" ]
4
A2BC
MgReTl2
Mg1 Tl2 Re1
3
[ 1, 1, 1 ]
3
[ [ 4.99040796, 0, 0 ], [ 2.49520398, 4.32182007, 0 ], [ 2.49520398, 1.44060669, 4.07465103 ] ]
agm004103731
[ [ 4.99040796, 2.88121338, 2.037325515 ], [ 7.485611939999999, 4.32182007, 3.0559882725 ], [ 0, 0, 0 ], [ 2.49520398, 1.44060669, 1.0186627575 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Re", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.882206, 0, 0 ], [ 0, 5.882206, 0 ], [ 0, 0, 5.882206 ] ]
-14.800903
[ -0.008, 1.566, -0.002, 0.014 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.85016
3.610358
pbe
true
19e9a01966e61b9d2a485a763cd711c2_216_Mg1Tl2Re1
[ "Li", "Ni", "O", "P" ]
66
A21B7C3D2
Li3Ni2O21P7
Li6 Ni4 O42 P14
4
[ 1, 1, 1 ]
3
[ [ 6.85808867, 0.3401831, -0.09139917 ], [ -2.87251628, 6.31248172, -0.01984749 ], [ -2.96397835, 0.0540398, 18.26994682 ] ]
mp-859106
[ [ -2.6164380747692757, 5.1251889291762955, 13.768884051517084 ], [ 0.60700717075986, 1.845572851654384, 10.019933753833024 ], [ 0.4225098745605686, 5.91933461087656, 15.911462681812305 ], [ 0.5990841654394311, 0.7873700091234404, 2.2472374781876963 ], ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-10-24 19:41:56
[ 0.09090909090909091, 0.06060606060606061, 0.6363636363636364, 0.21212121212121213 ]
[]
-439.011123
[ 0, 0, 0, 0, 0, 0, 1.818, 1.816, 1.816, 1.818, 0.006, 0.004, 0.002, 0.001, 0.004, 0.003, 0.004, 0.004, 0.003, 0.004, 0.001, 0.002, 0.004, 0.006, 0.002, 0.001, 0.028, 0, 0.003, 0.023, 0.005, 0.02, 0, 0.019, 0.022, 0.001, 0.02, 0.002, 0.024, ...
[]
7.852
1.281192
pbe
true
3c2e16eadca93d8c3523d35b010348e9_2_Li6Ni4P14O42
[ "Cu", "La" ]
6
A2B
Cu2La
La2 Cu4
2
[ 1, 1, 1 ]
3
[ [ 4.0264513, 0, 0 ], [ -2.01322512, 8.08541184, 0.00018913 ], [ 0, 1.00247402, 3.89966099 ] ]
agm003200964
[ [ 4.2462170056793593e-7, 7.366798116517192, 2.2636030615746754 ], [ 3.7037829926341135e-7, 5.5131751584828095, 0.6614263759253247 ], [ 2.013225755378299, 1.7210877434828098, 1.6362470584253246 ], [ 1.5962170073517584e-7, 3.073473691517191, 1.28859324907467...
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
[ "Cu", "Cu", "Cu", "Cu", "La", "La" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ -5.1423106, -3.4e-7, 9e-8 ], [ -3.4e-7, -5.1913633, 0.01261025 ], [ 9e-8, 0.01261025, -5.145552 ] ]
-27.49054
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00930034, -0.00239081 ], [ 0, -0.00930034, 0.00239081 ], [ 0, -0.00930034, 0.00239081 ], [ 0, 0.00930034, -0.00239081 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
3.518685
pbe
true
c5d7cb013fdf22e7fcba394a1a56de49_141_La2Cu4
[ "Li", "Ni", "O", "P" ]
76
A12B4C2D
Li2NiO12P4
Li8 Ni4 O48 P16
4
[ 1, 1, 1 ]
3
[ [ 0.00000736, -0.00027001, 9.37950738 ], [ 10.37052048, -2.5375851, 4.68983933 ], [ 7.83758406, 7.80266643, -0.00020932 ] ]
mp-761495
[ [ 10.370417328282393, -2.537557454115253, 7.950577184702283 ], [ 14.28917364469205, 1.363416328692756, 12.640215903517806 ], [ 7.144588217890417, 0.6820631138679876, 3.260329994426914 ], [ 11.063236860021739, 4.583210601753603, 7.950012322908086 ], [ ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2020-04-30 01:22:24
[ 0.10526315789473684, 0.05263157894736842, 0.631578947368421, 0.21052631578947367 ]
[ [ 1.50543161, -0.20489867, -0.0093164 ], [ -0.20333718, 2.69372497, 0.0133884 ], [ -0.00932075, 0.01344193, 0.24131866 ] ]
-508.489939
[ 0, 0, 0, 0, 0, 0, 0, 0, -1.831, -1.831, 1.832, 1.831, -0.002, 0.002, -0.001, 0.001, 0.002, -0.002, -0.001, 0.001, -0.002, 0.002, 0.005, -0.005, 0.002, -0.002, 0.005, -0.005, -0.001, 0.001, 0, 0, 0.001, -0.001, 0, 0, 0.001, -0.001, -0.001, ...
[ [ 0.00037512, -0.00121318, 0.0127252 ], [ 0.00039387, 0.00021459, 0.01176562 ], [ 0.00106297, 0.00060888, 0.01555508 ], [ -0.00053536, -0.0008193, 0.01488796 ], [ -0.00027829, -0.00031825, 0.01446405 ], [ -0.00026047, 0.00117109...
0.001
0.822181
pbe
true
1d99bb54cf0cfc6bebf5af410524c9e2_5_Li8Ni4P16O48
[ "Li", "Ni", "O", "P" ]
80
A12B4C3D
LiNi4O12P3
Li4 Ni16 O48 P12
4
[ 1, 1, 1 ]
3
[ [ 6.24392016, 0, 0 ], [ 0, 14.17130351, 0 ], [ 0, 0, 9.7702979 ] ]
mp-757510
[ [ 0.3573717693848256, 3.5428258775, 7.292395591041263 ], [ 2.7645883106151743, 10.6284776325, 2.407246641041264 ], [ 3.4793318493848253, 3.5428258775, 7.363051258958736 ], [ 5.886548390615174, 10.6284776325, 2.4779023089587358 ], [ 0.91829852038493...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2014-05-08 11:29:41
[ 0.05, 0.2, 0.6, 0.15 ]
[]
-495.43613
[ 0, 0, 0, 0, 1.808, 1.808, 1.797, 1.797, 1.797, 1.797, 1.808, 1.808, 1.808, 1.808, 1.797, 1.797, 1.797, 1.797, 1.808, 1.808, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.062, 0.062, 0.055, 0.058, 0.058, ...
[]
31.368
3.752557
pbe
true
263b1c90e9ddf657b730928c1fec33a1_62_Li4Ni16P12O48
[ "Mg", "Rh", "Th" ]
12
ABC
MgRhTh
Th4 Mg4 Rh4
3
[ 1, 1, 1 ]
3
[ [ 4.17192003, 0, 0 ], [ 0, 7.21772419, 0 ], [ 0, 0, 8.81085191 ] ]
agm002344677
[ [ 3.1289400225, 2.676182867115751, 4.8988127802409736 ], [ 1.0429800075, 4.541541322884249, 3.9120391297590267 ], [ 1.0429800075, 0.9326792278842493, 0.4933868252409733 ], [ 3.1289400225, 6.285044962115752, 8.317465084759027 ], [ 1.0429800075, ...
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Mg", "Mg", "Mg", "Mg", "Rh", "Rh", "Rh", "Rh", "Th", "Th", "Th", "Th" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.8150275, 0, 0 ], [ 0, 3.5044491, 0 ], [ 0, 0, 3.0886219 ] ]
-73.436675
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00077717, -0.00219354 ], [ 0, -0.00077717, 0.00219354 ], [ 0, -0.00077717, -0.00219354 ], [ 0, 0.00077717, 0.00219354 ], [ 0, -0.0137936, 0.0023557 ], [ 0, -0.0137936, -0.0023557 ], [ 0, 0.0137936, -0....
-0.000001
8.993484
pbe
true
2e309c4fdc4c2afed69fe3501cc4879d_62_Th4Mg4Rh4
[ "Li", "Ni", "O", "P" ]
168
A4BCD
LiNiO4P
Li24 Ni24 O96 P24
4
[ 1, 1, 1 ]
3
[ [ 9.90099397, 0.00000594, 0 ], [ -4.95050144, 8.57450914, 0 ], [ 0, 0, 22.58012939 ] ]
mp-757867
[ [ -4.256483187206257, 8.076627080896998, 9.331448239819533 ], [ -2.145859124234484, 4.9891906526921135, 20.623144123366668 ], [ -1.9343149468313408, 4.444859057347269, 5.748070445535035 ], [ -2.2599212790021945, 4.000687473368474, 13.272968337352351 ], ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni"...
2015-01-30 04:32:28
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[]
-1,039.122058
[ 0, 0.001, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0.001, 0, 1.802, 1.792, 1.773, 1.792, 1.784, 1.784, 1.784, 1.802, 1.774, 1.773, 1.793, 1.802, 1.802, 1.793, 1.773, 1.774, 1.802, 1.784, 1.784, 1.784, ...
[]
46.506
1.754505
pbe
true
e7a231d40d40e181a5e822e6724be2ed_170_Li24Ni24P24O96
[ "Ge", "Li", "Sm" ]
10
A2B2C
Ge2LiSm2
Li2 Sm4 Ge4
3
[ 1, 1, 1 ]
3
[ [ 4.33629257, 0, 0 ], [ 0, 7.36881496, 0 ], [ 0, 0, 7.36881496 ] ]
agm002283640
[ [ 0, 6.462851509765674, 4.590370930234326 ], [ 0, 0.9059634502343256, 2.7784440297656743 ], [ 0, 2.7784440297656743, 6.462851509765674 ], [ 0, 4.590370930234326, 0.9059634502343256 ], [ 2.168146285, 4.9969234102718945, 6.056299029728105 ]...
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Ge", "Ge", "Ge", "Ge", "Sm", "Sm", "Sm", "Sm", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ -0.8084124, 0, 0 ], [ 0, 2.1084566, 0 ], [ 0, 0, 2.1084566 ] ]
-48.337088
[ 0, -0.001, 0, 0.001, -0.002, 0.001, 0.002, -0.001, 0, 0 ]
[ [ 0, 0.00744112, -0.00744112 ], [ 0, -0.00744112, 0.00744112 ], [ 0, 0.00744112, 0.00744112 ], [ 0, -0.00744112, -0.00744112 ], [ 0, 0.0044702, -0.0044702 ], [ 0, -0.0044702, 0.0044702 ], [ 0, 0.0044702, 0.00...
-0.000008
8.758857
pbe
true
5d96973ea035620e13c046258d199f8c_127_Li2Sm4Ge4
[ "Li", "Ni", "O", "Sb" ]
20
A10B5C3D2
Li5Ni3O10Sb2
Li5 Ni3 Sb2 O10
4
[ 1, 1, 1 ]
3
[ [ 4.36151505, -1.65885664, -2.47132491 ], [ -3.42565949, 6.80840505, 2.70202358 ], [ -3.78456893, -0.64538014, 10.05916842 ] ]
agm005277367
[ [ -3.9637237962403242, 4.7405139825277764, 5.8712552381761665 ], [ 0.2469656003838237, -0.8488765207099136, 7.088205252865859 ], [ -1.892284465, -0.32269007, 5.02958421 ], [ -3.0956789703838234, 5.353044790709914, 3.2016618371341417 ], [ 1.11501042...
[{"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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Li", "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.15, 0.5, 0.1 ]
[ [ 3.5081728, -1.2070963, -4.1613917 ], [ -1.2070967, 1.664233, 2.2860892 ], [ -4.161392, 2.2860885, 8.492546 ] ]
-105.969384
[ -0.002, 0.004, 0.006, 0.004, -0.002, 1.704, 1.711, 1.711, -0.042, -0.042, 0.037, 0.06, 0.008, 0.025, 0.011, 0.011, 0.025, 0.008, 0.06, 0.037 ]
[ [ 0.00127252, -0.00092464, -0.00092675 ], [ -0.00299053, -0.00097911, 0.00041263 ], [ 0, 0, 0 ], [ 0.00299053, 0.00097911, -0.00041263 ], [ -0.00127252, 0.00092464, 0.00092675 ], [ 0, 0, 0 ], [ 0.00114421, -0.000...
5.341691
2.014757
pbe
true
f2c7ada815d5c96b43cbd767a4aa42f4_2_Li5Ni3Sb2O10
[ "Ge", "Mg", "Si" ]
5
A2B2C
Ge2MgSi2
Mg1 Si2 Ge2
3
[ 1, 1, 1 ]
3
[ [ 3.66551589, 0, 0 ], [ 0, 3.66551589, 0 ], [ 1.83275795, 1.83275795, 7.04124645 ] ]
agm002931452
[ [ 0, 0, 0 ], [ 1.8327579460977848, 1.8327579460977848, 1.545954524347863 ], [ 3.6655158939022154, 3.6655158939022154, 5.495291925652137 ], [ 3.6655158925, 1.8327579475, 3.520623225 ], [ 1.8327579475, 3.6655158925, 3.520623225 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Mg", "Ge", "Ge", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 2.1189015, 0, 0 ], [ 0, 2.1189015, 0 ], [ 0, 0, 1.7270654 ] ]
-20.308005
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.01099222 ], [ 0, 0, 0.01099222 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.160776
pbe
true
bf49cd87b8c3e89dea881c587b76aafc_139_Mg1Si2Ge2
[ "Li", "Ni", "O", "Si" ]
22
A6B2C2D
Li2NiO6Si2
Li4 Si4 Ni2 O12
4
[ 1, 1, 1 ]
3
[ [ 5.56913265, 0.00353622, 0.0039389 ], [ -2.53932032, 4.95652129, 0.0039389 ], [ -0.15917874, -0.26058897, 9.40048668 ] ]
agm003281954
[ [ 2.9608632313929206, 1.741117976934054, 8.286696999090502 ], [ 0.27695974251803956, 3.559470457916844, 3.586453659090502 ], [ 2.593673847481961, 1.1399980820831563, 5.8219108209094985 ], [ -0.0902296413929205, 2.958350563065947, 1.1216674809094982 ], ...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.09090909090909091, 0.5454545454545454, 0.18181818181818182 ]
[ [ 0.551004, 0.05474671, 0.13924006 ], [ 0.05474671, 0.60718733, 0.2279477 ], [ 0.13924, 0.22794756, 0.5606755 ] ]
-144.067356
[ 0.001, 0.001, 0.001, 0.001, 0.002, 0.002, 0.002, 0.002, 1.809, 1.809, 0.004, 0.004, 0.004, 0.004, 0.037, 0.037, 0.037, 0.037, 0.03, 0.03, 0.03, 0.03 ]
[ [ 0.0009855, 0.00427885, -0.00012298 ], [ 0.00335702, 0.00283023, -0.00012298 ], [ -0.00335702, -0.00283023, 0.00012298 ], [ -0.0009855, -0.00427885, 0.00012298 ], [ -0.00240386, 0.00052298, 0.00301598 ], [ 0.00156273, -0.001899...
4.066751
0
pbe
true
1e76375508483a1e648058dbf39622c0_15_Li4Si4Ni2O12
[ "Li", "Ni", "O", "Si" ]
56
A7B4C2D
Li4NiO7Si2
Li16 Ni4 O28 Si8
4
[ 1, 1, 1 ]
3
[ [ 0.00000157, 5.47441298, -0.00000558 ], [ -13.32243392, -0.00000314, 0.23209627 ], [ -0.64492089, -0.0000081, 8.0179239 ] ]
mp-767687
[ [ -6.217541756709599, 0.8681599485274567, 7.1230430970820855 ], [ -12.878924464688883, 3.6055503965098934, 7.238924323621035 ], [ -5.895246891049614, 4.606062798402835, 3.113916343486468 ], [ -12.556297688183163, 1.8690411967843146, 3.2301295378039367 ],...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "...
2020-06-05 03:34:08
[ 0.2857142857142857, 0.07142857142857142, 0.5, 0.14285714285714285 ]
[ [ 0.33366899, 0.00214811, -0.38853813 ], [ 0.00214426, -0.42636782, -0.00189752 ], [ -0.32898434, -0.00188385, 0.65801194 ] ]
-353.162611
[ 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, -0.001, -1.804, -1.804, 1.804, 1.804, 0.001, -0.001, -0.001, 0.001, 0, 0, 0, 0, -0.001, 0.001, 0.001, -0.001, 0.031, -0.031, -0.031,...
[ [ -0.00664288, 0.00237393, 0.00840281 ], [ -0.00548628, 0.00568961, 0.00738331 ], [ -0.0055383, -0.00599248, 0.00724125 ], [ -0.00636435, -0.00286621, 0.00864969 ], [ 0.00951779, -0.00051108, -0.00074106 ], [ 0.00891624, 0.00018...
0
1.624825
pbe
true
4a2949a2ab5574c36bc6b21564180a85_9_Li16Si8Ni4O28
[ "Li", "Ni", "O", "Si" ]
66
A6B2C2D
Li2NiO6Si2
Li12 Ni6 O36 Si12
4
[ 1, 1, 1 ]
3
[ [ 10.07667359, 0.00000448, -0.00003292 ], [ 0.00000315, 7.10415341, -0.00000596 ], [ -0.00003188, -0.00000823, 9.77233249 ] ]
mp-766931
[ [ 0.0000219779596517, 5.674506250214747, 2.3741541984773407 ], [ 10.07651234349481, 5.502337595027169, 7.518464777257635 ], [ 2.272019825991501, 2.0961590349895753, 4.489936474877645 ], [ 2.274170773505871, 1.5487081798017381, 0.31324925247894037 ], [ ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2019-10-22 20:32:18
[ 0.18181818181818182, 0.09090909090909091, 0.5454545454545454, 0.18181818181818182 ]
[ [ 0.50049983, 0.00016761, -0.0098619 ], [ 0.00016763, -0.76997437, -0.00494394 ], [ -0.00986244, -0.00494399, -0.17951356 ] ]
-432.208585
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.007, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.007, 0.006, 0.006, 0.006, 0.006, 1.789, 1.801, 1.808, 1.801, 1.808, 1.789, 0.046, 0.033, 0.045, 0.027, 0.051, 0.002, 0.002, 0.054, 0.024, 0.021, 0.00...
[ [ -0.00099717, 0.01625082, 0.02211117 ], [ -0.00147276, -0.02209554, -0.0160232 ], [ 0.00707989, -0.00189073, -0.00061056 ], [ 0.00533728, -0.00980745, -0.00889895 ], [ -0.00604314, 0.01089073, -0.00945662 ], [ -0.0071517, 0.001...
11.794
3.393235
pbe
true
01fa172f735261db7cdf863cebd6ad01_31_Li12Si12Ni6O36
[ "Li", "Ni", "O", "Si" ]
98
A30B12C5D2
Li2Ni5O30Si12
Li4 Ni10 O60 Si24
4
[ 1, 1, 1 ]
3
[ [ 10.12702965, -0.00000801, -0.0001347 ], [ -5.06352362, 8.77037372, 0.00023272 ], [ -0.00020203, 0.00027138, 14.46865559 ] ]
mp-772287
[ [ -0.00018872099140066945, 5.846912840888903, 0.0011227656107998 ], [ 5.062770066236263, 8.769900276195365, 10.848755008658248 ], [ -0.0014613841035139997, 0.0034663116820847005, 3.6190302922295055 ], [ 5.0632760938422585, 2.923605847531068, 7.233865016522...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", ...
2019-10-22 22:24:07
[ 0.04081632653061224, 0.10204081632653061, 0.6122448979591837, 0.24489795918367346 ]
[ [ -0.09635779, -0.01595825, 0.00725794 ], [ -0.01595844, -0.09847736, -0.00780359 ], [ 0.00725746, -0.00780414, -0.16934559 ] ]
-693.025551
[ 0, 0, 0, 0, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 1.786, 1.786, 1.81, 1.81, 1.786, 1.786, 1.81, 1.81, 1.786, 1.7...
[ [ 0.00127585, 0.00069023, -0.00017243 ], [ -0.00078302, -0.00042942, -0.00169802 ], [ -0.00140809, 0.00269051, 0.00136329 ], [ -0.00002697, 0.00027174, 0.00028287 ], [ 0.00599727, -0.0128049, 0.01047298 ], [ 0.00594421, -0.01024...
19.48
1.691008
pbe
true
5da158a9dbada01c2e31ca6b82f16c46_190_Li4Si24Ni10O60
[ "Li", "Ni", "O", "Si" ]
100
A15B6C3D
Li3NiO15Si6
Li12 Ni4 O60 Si24
4
[ 1, 1, 1 ]
3
[ [ 7.11274957, 8.52261338, 0.00000278 ], [ -7.11276017, 8.52262231, 0.0000051 ], [ -0.00000169, 0.00000472, 10.06961327 ] ]
mp-757292
[ [ -3.66441161160068, 8.522613753355035, 0.000012593305799 ], [ -3.5563851308059022, 12.610785698576036, 2.517412446250923 ], [ -3.5563759833692723, 4.434484829502287, 7.552214999262718 ], [ -3.448358686543183, 8.522627057130032, 5.034816172191313 ], [ ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ni", "Ni", "Ni", "Ni"...
2019-10-23 09:44:21
[ 0.12, 0.04, 0.6, 0.24 ]
[ [ 1.4504671, 0.00097351, -0.00081414 ], [ 0.00097353, 1.40470831, -0.00084283 ], [ -0.00081404, -0.00084283, 0.85676059 ] ]
-704.248813
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.005, 0.005, 0.005, 0.005, 0.006, 0.006, 0.006, 0.006, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.004, 0.006, 0.006, 0.006, 0.006, 0.005, 0.005, 0.005, 0.005, 2.238, 2.238, 2.238, 2.238, 0.00...
[ [ -0.00639327, -0.0002505, 0.00037508 ], [ -0.00016036, 0.00480374, 0.00045954 ], [ 0.00006687, -0.00459215, -0.00004032 ], [ 0.0062815, 0.00024194, 0.00037533 ], [ -0.00010453, 0.03492714, 0.0341723 ], [ -0.00026502, 0.03508229...
11.556
2.033393
pbe
true
860e67f3f6fe0748f77e21a75c3a6cc6_64_Li12Si24Ni4O60
[ "Li", "Ni", "O", "Sn" ]
22
A6B2C2D
Li2Ni2O6Sn
Li4 Ni4 O12 Sn2
4
[ 1, 1, 1 ]
3
[ [ 5.14597322, 0.11115811, -0.00033542 ], [ -2.48993319, 4.50437746, 0.0001499 ], [ -0.00065975, -0.00002584, 10.11239298 ] ]
mp-774781
[ [ -0.8791172802738845, 2.8887570491675456, 7.584588715327866 ], [ -0.28265744513395435, 3.9230423384463964, 2.5285984458830297 ], [ 2.9395758640107497, 0.6916844315227278, 7.584287862140949 ], [ 3.534294142643007, 1.726661179778521, 2.528096063114633 ], ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Ni", "Ni", "Ni", "Ni", "Sn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2020-06-04 06:00:36
[ 0.18181818181818182, 0.18181818181818182, 0.5454545454545454, 0.09090909090909091 ]
[ [ 2.33888112, 0.08658254, 0.02889853 ], [ 0.08635564, 2.41455544, 0.04138001 ], [ 0.02889762, 0.04134092, 1.4008172 ] ]
-115.551441
[ 0, 0, 0, 0, -1.149, -1.149, 1.149, 1.149, 0, 0, 0, 0, 0, 0, 0.108, -0.108, -0.108, -0.108, 0.108, 0.108, 0.108, -0.108 ]
[ [ -0.00974584, -0.01355729, -0.00170882 ], [ 0.01064634, 0.01544516, -0.00272192 ], [ -0.00841205, -0.01603802, -0.00051 ], [ 0.00713311, 0.01533556, -0.00210306 ], [ -0.02004994, 0.00743808, 0.00464239 ], [ -0.00963666, -0.0131...
0
2.833468
pbe
true
0c9db1b208a985a486c96758112736fd_64_Li4Ni4Sn2O12
[ "Ge", "Mn", "Pd" ]
4
A2BC
GeMnPd2
Mn1 Ge1 Pd2
3
[ 1, 1, 1 ]
3
[ [ 3.28432431, 0, 0 ], [ 0, 3.28432431, 0 ], [ 0, 0, 5.70551804 ] ]
agm001114237
[ [ 1.642162155, 1.642162155, 0 ], [ 1.642162155, 1.642162155, 2.85275902 ], [ 0, 0, 4.285167607968049 ], [ 0, 0, 1.4203504320319518 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Ge", "Mn", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 8.90915, 0, 0 ], [ 0, 8.90915, 0 ], [ 0, 0, 8.922924 ] ]
-25.24734
[ -0.033, 3.871, 0.13, 0.13 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00378992 ], [ 0, 0, 0.00378992 ] ]
4.229164
2.229041
pbe
true
14761784ec465433a1f7980f9119e393_123_Mn1Ge1Pd2
[ "Ge", "Mn", "Ta" ]
5
A3BC
GeMnTa3
Ta3 Mn1 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.60995572, 0, 0 ], [ 0, 4.60995572, 0 ], [ 0, 0, 4.60995572 ] ]
agm002528285
[ [ 2.30497786, 2.30497786, 2.30497786 ], [ 0, 0, 0 ], [ 0, 2.30497786, 0 ], [ 0, 0, 2.30497786 ], [ 2.30497786, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Ge", "Mn", "Ta", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -23.336367, 0, 0 ], [ 0, -23.336367, 0 ], [ 0, 0, -23.336367 ] ]
-45.648364
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000003
3.088532
pbe
true
f0ba74763cc4c5f922b10d2564e64265_221_Ta3Mn1Ge1
[ "Bi", "Cs", "K" ]
8
A5B2C
Bi2Cs5K
Cs5 K1 Bi2
3
[ 1, 1, 1 ]
3
[ [ 6.42233098, -8.7e-7, 2.03248388 ], [ 2.8895533, 5.73557461, 2.03248388 ], [ -0.52871889, -0.32565974, 12.83368595 ] ]
agm005875773
[ [ 4.391582695, 2.704957, 8.449326854999999 ], [ 3.1735543422804273, 1.9547230944822078, 12.298115340686408 ], [ 5.609611047719573, 3.4551909055177923, 4.6005383693135915 ], [ 1.7926410175590521, 1.1041615820341752, 5.498577305411913 ], [ 6.99052437...
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "K", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.25, 0.625, 0.125 ]
[ [ 0.28522536, 0.00164392, -0.00843381 ], [ 0.00164392, 0.28356895, -0.00519473 ], [ -0.00843381, -0.00519473, 0.30920568 ] ]
-15.575043
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ -0.00033532, -0.00020654, 0.00105956 ], [ 0.00033532, 0.00020654, -0.00105956 ], [ -0.00041877, -0.00025793, 0.00132323 ], [ 0.00041877, 0.00025793, -0.00132323 ], [ 0, 0, 0 ], [ 0.00007087, 0.0000...
-0
7.772074
pbe
true
1532b930132e20590aa1b3f4aaf0da73_166_Cs5K1Bi2
[ "Ge", "Sc", "Si" ]
5
A3BC
GeScSi3
Sc1 Si3 Ge1
3
[ 1, 1, 1 ]
3
[ [ 4.74041046, 0, 0 ], [ 0, 4.74041046, 0 ], [ 0, 0, 4.74041046 ] ]
agm002602877
[ [ 2.37020523, 2.37020523, 2.37020523 ], [ 0, 0, 0 ], [ 0, 2.37020523, 0 ], [ 0, 0, 2.37020523 ], [ 2.37020523, 0, 0 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Sc", "Ge", "Si", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 2.6404102, 0, 0 ], [ 0, 2.6404102, 0 ], [ 0, 0, 2.6404102 ] ]
-23.475813
[ 0, 0, 0, 0, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
4.721688
pbe
true
2de48c3052c6770deed825238df56a4a_221_Sc1Si3Ge1
[ "Ge", "Np", "Pd" ]
13
A8B4C
Ge8Np4Pd
Np4 Ge8 Pd1
3
[ 1, 1, 1 ]
3
[ [ 4.01810866, 0, 8.6e-7 ], [ 0, 4.2349363, 2e-8 ], [ 0.0000015, -9.7e-7, 15.65475311 ] ]
agm006080847
[ [ 1.3018557e-7, 4.234936215813332, 1.3586819912230819 ], [ 4.018109576430775, 2.1174675573747654, 9.564332553353974 ], [ 2.0090549418932153, 2.1174677543090543, 6.386025247006098 ], [ 2.00905567912595, -8.72434781e-7, 14.080156204362803 ], [ 4.0181...
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Np", "Np", "Np", "Np", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pd" ]
2023-11-16 06:57:59
[ 0.6153846153846154, 0.3076923076923077, 0.07692307692307693 ]
[ [ 3.1846602, 0, 9.7e-7 ], [ 0, 3.0867856, -1.7e-7 ], [ 9.7e-7, -1.7e-7, 2.9684243 ] ]
-96.177236
[ 3.477, 3.527, 3.819, 3.506, -0.051, -0.049, -0.055, -0.04, -0.044, -0.018, -0.04, -0.028, -0.051 ]
[ [ 0, 0, 0.00040362 ], [ 0, 0, -0.00786886 ], [ 0, 0, -0.00132126 ], [ 0, 0, -0.00484897 ], [ 0, 0, 0.0043634 ], [ 0, 0, 0.00878342 ], [ 0, 0, 0.00576461 ], [ 0, 0, -0.00223585 ], [ 0, ...
14.752609
32.028816
pbe
true
6da9ca79b4059e0c3181030f88074b17_25_Np4Ge8Pd1
[ "Li", "Ni", "O", "Ti" ]
28
A16B5C4D3
Li4Ni3O16Ti5
Li4 Ni3 O16 Ti5
4
[ 1, 1, 1 ]
3
[ [ 5.90957343, 0.04206023, -0.0543468 ], [ -2.91845342, 5.04072743, -0.01162891 ], [ -0.08883886, -0.07263129, 9.55726145 ] ]
mp-771000
[ [ -0.10624358482325269, 3.2733536987501153, 8.540343478630396 ], [ 2.822533205613199, 4.949744382316048, 9.414879501638028 ], [ -0.0420716714775754, -0.0288946260743569, 4.7245563071851 ], [ 2.973979157699799, 1.7135054017381925, 3.7974478651703536 ], ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"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"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-18 05:24:43
[ 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.17857142857142858 ]
[]
-198.217898
[ 0, -0.002, 0, -0.001, 0.007, 0.038, 0.007, 0.026, 0.042, 1.735, 1.193, 1.158, 0.027, -0.003, 0.034, 0.023, -0.098, 0.034, 0.028, 0.028, -0.001, -0.061, 0.03, 0.042, -0.149, 0.013, -0.124, 0.012 ]
[]
4.038
2.622331
pbe
true
b7648b456e3a7b3afa6b484dfcdd729f_1_Li4Ti5Ni3O16
[ "Li", "Ni", "O", "Ti" ]
59
A32B12C11D4
Li11Ni4O32Ti12
Li11 Ti12 Ni4 O32
4
[ 1, 1, 1 ]
3
[ [ 8.42282974, 0.00023147, 0.00023187 ], [ -0.01408273, 8.42281797, 0.00023187 ], [ -0.01408273, -0.01410668, 8.42280616 ] ]
agm003282433
[ [ 1.04355901701493, 1.0453340059908167, 1.047115043997382 ], [ 2.0952361664565142, 6.302997971502226, 4.2116349500000005 ], [ 2.0719479257038222, 4.200859385946421, 6.33340716268515 ], [ 4.237030177728504, -0.0068821064661765, 4.17891784092144 ], [ ...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2023-11-16 06:57:59
[ 0.1864406779661017, 0.06779661016949153, 0.5423728813559322, 0.2033898305084746 ]
[ [ 0.98484886, -0.00486501, -0.0048733 ], [ -0.00486501, 0.98483235, -0.00488159 ], [ -0.0048733, -0.00488159, 0.9848157 ] ]
-432.59906
[ 0, 0.002, -0.001, 0.003, 0.002, -0.001, 0.003, -0.001, 0.002, 0, 0.003, 0.086, 0.217, 0.217, 0.217, 0.351, 0.217, 0.217, 0.217, 0.086, 0.351, 0.086, 0.351, 1.739, 1.76, 1.739, 1.739, 0.035, 0, 0.035, 0.045, 0.035, 0.025, -0.009, 0.039, 0.045, 0...
[ [ 0.00058244, 0.00058343, 0.00058443 ], [ 0.01363174, -0.01360859, 0 ], [ -0.0111854, -0.00001901, 0.01116639 ], [ 0.00028885, 4.9e-7, -0.00028836 ], [ 0, 0.01363176, -0.01360857 ], [ 0, 0.01118541, -0.01116639 ], [ ...
10.863451
8.201314
pbe
true
06ca7d83c7733eb6c8b6f865213d0e1d_155_Li11Ti12Ni4O32
[ "Li", "Ni", "O", "V" ]
20
A12B4C3D
Li3NiO12V4
Li3 V4 Ni1 O12
4
[ 1, 1, 1 ]
3
[ [ 4.32550991, 5.25001301, -0.01195713 ], [ -4.32550991, 5.25001301, -0.01195713 ], [ 0, 2.21198294, 5.40077357 ] ]
agm005270907
[ [ 3.5721580820962373, 6.35600448, 2.688429655 ], [ 1.9373144825924937, 5.25001301, -0.01195713 ], [ -2.0141950576104555, 6.35600448, 2.688429655 ], [ -0.8278782874083056, 7.524948870202718, 0.0532742462290048 ], [ -0.8278782874083058, 5.1870600...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "V", "V", "V", "V", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.05, 0.6, 0.2 ]
[ [ 0.9280099, 0, 0 ], [ 0, 1.004545, 0.09752364 ], [ 0, 0.09752358, 1.132829 ] ]
-134.884633
[ 0, 0, 0, 0.59, 0.59, 0.096, 0.096, 1.77, 0.007, 0.007, -0.006, -0.006, -0.018, -0.018, -0.025, -0.025, -0.018, -0.018, -0.031, -0.031 ]
[ [ 0.00012085, 0, 0 ], [ -0.00136506, 0, 0 ], [ 0.00261832, 0, 0 ], [ -0.00314014, -0.00073491, -0.00059836 ], [ -0.00314014, 0.00073491, 0.00059836 ], [ -0.00043168, -0.00080549, -0.00213626 ], [ -0.00043168, 0.0...
3.000001
6.632734
pbe
true
0795a5c4ec2829fc01cc9a9d71fa16dd_5_Li3V4Ni1O12
[ "Li", "Ni", "Os", "P" ]
5
A2BCD
LiNiOsP2
Li1 Ni1 P2 Os1
4
[ 1, 1, 1 ]
3
[ [ 3.84556433, 0, 0 ], [ 0, 3.84556433, 0 ], [ -1.92278216, -1.92278216, 4.77596409 ] ]
agm005021485
[ [ 0, 0, 0 ], [ 2.500000095828625e-9, 1.9227821675000003, 2.387982045 ], [ 1.922782166175018, 1.922782166175018, 1.1223685635821605 ], [ 3.824982413393205e-9, 3.824982413393205e-9, 3.65359552641784 ], [ 1.9227821675000003, 2.500000095828625e-9, ...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Ni", "P", "P", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ -2.1504078, 0, 0 ], [ 0, -2.1504078, 0 ], [ 0, 0, -2.4705935 ] ]
-32.113905
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00202035 ], [ 0, 0, -0.00202035 ], [ 0, 0, 0 ] ]
-0.000231
2.452955
pbe
true
1c5efcd798432f5d07340385d7335c26_119_Li1Ni1P2Os1
[ "La", "Ni", "Tm" ]
4
A2BC
LaNi2Tm
La1 Tm1 Ni2
3
[ 1, 1, 1 ]
3
[ [ 3.41814692, 0, 0 ], [ 0, 3.41814692, 0 ], [ 0, 0, 6.91722952 ] ]
agm001135664
[ [ 0, 0, 5.387181513688205 ], [ 0, 0, 1.5300480063117952 ], [ 1.70907346, 1.70907346, 0 ], [ 1.70907346, 1.70907346, 3.45861476 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Ni", "Ni", "Tm", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -4.259392, 0, 0 ], [ 0, -4.259392, 0 ], [ 0, 0, -4.486744 ] ]
-22.29256
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00263912 ], [ 0, 0, -0.00263912 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000014
3.786098
pbe
true
417a0566f8adf4f7fbb1269b2b5a65ed_123_La1Tm1Ni2
[ "Ge", "Pa", "Ru" ]
12
A4BC
GePa4Ru
Pa8 Ge2 Ru2
3
[ 1, 1, 1 ]
3
[ [ 7.88579396, -0.35038976, 0 ], [ -1.55384816, 5.65267151, 0 ], [ -3.1659729, -2.65114087, 6.12554781 ] ]
agm003743657
[ [ 6.427949582877975, 1.4004532372960152, 0.7139335773431496 ], [ 3.846893212660507, 3.726633577342771, 0.7139335773431496 ], [ -0.10441762797057257, 2.1325445649171426, 4.277123390972432 ], [ 3.270390527970573, 0.5185963150828572, 1.8484244190275678 ], ...
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Ge", "Ge", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]
[ [ 1.0720317, -0.04663546, 0 ], [ -0.04663485, 1.0765109, 0 ], [ 0, 0, 0.98538864 ] ]
-107.328066
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00005045, -0.00046001, -0.00021715 ], [ -0.00005045, 0.00046001, -0.00021715 ], [ 0.00321672, -0.00318838, 0.00224366 ], [ -0.00321672, 0.00318838, -0.00224366 ], [ 0.00321672, -0.00318838, -0.00224366 ], [ 0.00005045, -0.00...
0.000137
23.460423
pbe
true
586099c4d18c2e027188e0042e4e7b3b_15_Pa8Ge2Ru2
[ "Li", "Ni", "Pr", "Se" ]
12
A3BCD
LiNiPrSe3
Li1 Ni1 Pr1 Se3
4
[ 1, 1, 1 ]
3
[ [ 1.974719, -6.295468, 0 ], [ 1.974719, 6.295468, 0 ], [ 0, 0, 11.018706 ] ]
oqmd-4575686
[ [ 1.97472, -2.862390000000001, 2.754670000000001 ], [ 1.97472, 2.862390000000001, 8.264029999999998 ], [ 1.9747200000000007, 6.089690000000003, 2.754670000000001 ], [ 1.9747200000000007, -6.089690000000003, 8.264029999999998 ], [ 1.97472, -6.85...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Li", "Li", "Ni", "Ni", "Pr", "Pr", "Se", "Se", "Se", "Se", "Se", "Se" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 16.85677, 0, 0 ], [ 0, 9.40885, 0 ], [ 0, 0, 17.57435 ] ]
-57.9079
[ 0.001, 0.001, 0.574, 0.576, 0.021, 0.019, 0.078, 0.08, 0.079, 0.08, 0.08, 0.079 ]
[ [ 0, 0.072797, 0 ], [ 0, -0.072797, 0 ], [ 0, -0.028729, 0 ], [ 0, 0.028729, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.024104, -0.066294 ], [ 0, 0.058985, 0 ], [ 0, -0.024104, 0.0...
2.05106
null
pbe
true
10f06d3b156c9a1b20b6b714a501ae3e_63_Li2Pr2Ni2Se6
[ "Li", "Ni", "S", "Zr" ]
12
A3BCD
LiNiS3Zr
Li1 Ni1 S3 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.767757856, -6.205648597, 0 ], [ 1.767757856, 6.205648597, 0 ], [ 0, 0, 9.61230747 ] ]
oqmd-8897380
[ [ 1.7677600000000002, 3.337330000000001, 2.40308 ], [ 1.76776, -3.33733, 7.20923 ], [ 1.7677600000000002, -0.2335700000000003, 2.40308 ], [ 1.7677600000000002, 0.23357000000000025, 7.20923 ], [ 1.76776, -1.72688, 0.71724 ], [ 1.7677...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Li", "Li", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 4.55476425, 0, 0 ], [ 0, 2.90180794, 0 ], [ 0, 0, 7.27928622 ] ]
-70.724
[ 0.001, 0.001, 0.243, 0.244, 0.021, 0.032, 0.02, 0.02, 0.032, 0.021, -0.005, -0.006 ]
[ [ 0, 0.063254, 0 ], [ 0, -0.063254, 0 ], [ 0, 0.000727, 0 ], [ 0, -0.000727, 0 ], [ 0, -0.029547, -0.021824 ], [ 0, 0.031769, 0 ], [ 0, -0.029547, 0.021824 ], [ 0, 0.029547, -0.021824 ], [...
0.712385
null
pbe
true
f0544abe40c79f7bb331063dd8b9cbaf_63_Li2Zr2Ni2S6
[ "Ni", "Pb", "Ti" ]
3
ABC
NiPbTi
Ti1 Ni1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 4.28290721, 0, 0 ], [ -2.1414536, 3.70898671, 0.00018839 ], [ 0, 2.47277755, 3.49694368 ] ]
agm002191269
[ [ 2.1414536050000024, 1.2363543538610657, 1.74842095954858 ], [ 2.4999978318640438e-9, 2.4727121983490004, 0.8743670076729324 ], [ 9.999999954158404e-17, 0.0000099405621587, 0.000013952809051 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Pb", "Ni", "Ti" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ -3.5180383, 0, 0 ], [ 0, -3.508151, -0.01975348 ], [ 0, -0.01975376, -3.4936078 ] ]
-18.022158
[ 0, 0, 0 ]
[ [ 0, 0.00013425, 0.00020247 ], [ 0, -0.00014372, -0.0002168 ], [ 0, 0.00000947, 0.00001433 ] ]
0
0
pbe
true
9f63761b586652833b9de63d35c2ede2_216_Ti1Ni1Pb1
[ "Li", "Ni", "Se", "Zr" ]
12
A3BCD
LiNiSe3Zr
Li1 Ni1 Se3 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.826896571, -6.611015487, 0 ], [ 1.826896571, 6.611015487, 0 ], [ 0, 0, 9.880203866 ] ]
oqmd-8897399
[ [ 1.8269, 3.80101, 2.4700499999999996 ], [ 1.8268999999999995, -3.80101, 7.410149999999999 ], [ 1.8269, -0.25734000000000035, 2.4700499999999996 ], [ 1.8269, 0.25733999999999996, 7.410149999999999 ], [ 1.8268999999999995, -1.86731, 0.704879...
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Li", "Li", "Ni", "Ni", "Se", "Se", "Se", "Se", "Se", "Se", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 2.03731269, 0, 0 ], [ 0, 0.98993823, 0 ], [ 0, 0, 5.04336802 ] ]
-65.1905
[ 0, 0, 0.029, 0.031, 0.003, 0.004, 0.002, 0.002, 0.004, 0.002, -0.001, -0.001 ]
[ [ 0, 0.032894, 0 ], [ 0, -0.032894, 0 ], [ 0, -0.033078, 0 ], [ 0, 0.033078, 0 ], [ 0, 0.024747, -0.025636 ], [ 0, -0.074654, 0 ], [ 0, 0.024747, 0.025636 ], [ 0, -0.024747, -0.025636 ], [...
0.092404
null
pbe
true
bbaedcbdb71ebb915cfe0898150a1369_63_Li2Zr2Ni2Se6
[ "La", "Os", "Pt" ]
4
A2BC
LaOsPt2
La1 Os1 Pt2
3
[ 1, 1, 1 ]
3
[ [ 3.37579994, 0, 0 ], [ 0, 3.37579994, 0 ], [ 0, 0, 6.83212557 ] ]
agm004372918
[ [ 1.68789997, 1.68789997, 1.7080313925 ], [ 1.68789997, 1.68789997, 5.1240941775 ], [ 0, 0, 6.453634353578962 ], [ 0, 0, 3.7945540014210377 ] ]
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "La", "Os", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.6647196, 0, 0 ], [ 0, 6.6647196, 0 ], [ 0, 0, 6.2303395 ] ]
-28.486734
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02224233 ], [ 0, 0, -0.02224233 ] ]
-0.000001
3.262068
pbe
true
dbc06731e799fb76ff58bda225f31e05_123_La1Os1Pt2
[ "Li", "Mo", "Se" ]
4
A2BC
LiMo2Se
Li1 Mo2 Se1
3
[ 1, 1, 1 ]
3
[ [ 4.46372784, 0, 0 ], [ 0, 4.46372784, 0 ], [ 0, 0, 2.9317987 ] ]
agm003954087
[ [ 0, 2.23186392, 1.46589935 ], [ 0, 0, 0 ], [ 2.23186392, 2.23186392, 0 ], [ 2.23186392, 0, 1.46589935 ] ]
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Li", "Mo", "Mo", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.5448015, 0, 0 ], [ 0, 2.5448015, 0 ], [ 0, 0, 2.6031992 ] ]
-25.212596
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000155
3.359212
pbe
true
f0fe21c376f4a4e82db94540b4e63601_123_Li1Mo2Se1
[ "Li", "Ni", "Sr" ]
4
A2BC
Li2NiSr
Sr1 Li2 Ni1
3
[ 1, 1, 1 ]
3
[ [ 4.208868, 0, 0 ], [ 0, 4.20901158, 0 ], [ 0, 0, 5.05581448 ] ]
agm004079778
[ [ 0, 0, 0 ], [ 2.104434, 2.10450579, 0 ], [ 2.104434, 0, 2.52790724 ], [ 0, 2.10450579, 2.52790724 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Li", "Li", "Ni", "Sr" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -1.8564739, 0, 0 ], [ 0, -1.860097, 0 ], [ 0, 0, -1.5236487 ] ]
-10.509921
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000056
2.220782
pbe
true
1dccdcefcdbe6c7cf4779d054d53b750_123_Sr1Li2Ni1
[ "Cd", "Li", "Ru" ]
4
A2BC
Cd2LiRu
Li1 Cd2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 5.07398226, 0.00088565, 0 ], [ 1.85658169, 4.7221183, 0 ], [ -3.46528085, -2.36150121, 2.85664793 ] ]
agm004234930
[ [ 0, 0, 0 ], [ 0.9282914075000002, 2.3610595325, 1.428323965 ], [ 3.465281975, 2.361501975, 0 ], [ 2.5369916924999996, 0.0004432075000000424, 1.428323965 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Cd", "Li", "Ru" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 6.1589813, 0.35795063, 0.00000221 ], [ 0.35795063, 5.877657, 0.00000151 ], [ 0.00000221, 0.00000151, 5.6337304 ] ]
-12.470967
[ -0.004, -0.011, -0.002, 0.601 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.616174
1.981846
pbe
true
1a29a239841e29368a2becafe003cdf6_119_Li1Cd2Ru1
[ "Li", "Os", "Si" ]
4
A2BC
Li2OsSi
Li2 Si1 Os1
3
[ 1, 1, 1 ]
3
[ [ 3.50192066, 0, 0 ], [ 0, 3.50192066, 0 ], [ 0, 0, 4.26769206 ] ]
agm003912352
[ [ 0, 0, 0 ], [ 1.75096033, 1.75096033, 0 ], [ 1.75096033, 0, 2.13384603 ], [ 0, 1.75096033, 2.13384603 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Os", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -1.1342326, 0, 0 ], [ 0, -1.1342326, 0 ], [ 0, 0, 8.874968 ] ]
-20.560343
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000011
2.52428
pbe
true
eabd87c724ee256f9e663966fbcee532_123_Li2Si1Os1
[ "Pb", "Pt", "Se" ]
10
A3BC
PbPtSe3
Pt2 Pb2 Se6
3
[ 1, 1, 1 ]
3
[ [ 15.62531274, 0.00001716, 0 ], [ -0.00002764, 3.67296703, 0 ], [ 0, 0, 18.35238141 ] ]
agm2000100636
[ [ 4.930806033198591, 1.3081851095442028, 9.176190888523815 ], [ 10.69443054114353, 3.1446473335636025, 9.176190888523815 ], [ 1.675940322899956, 3.148096262347322, 9.176190888523815 ], [ 13.949324637709845, 1.3116198719509888, 9.176190888523815 ], [ ...
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Pt", "Pt", "Pb", "Pb", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 0.6043709, -0.0000034, 0 ], [ -0.0000034, 0.5407097, 0 ], [ 0, 0, -0.06877952 ] ]
-40.439854
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00024274, 0.00038677, 0 ], [ -0.00024275, 0.00038677, 0 ], [ -0.00004022, -0.00154738, 0 ], [ 0.00004024, -0.00154738, 0 ], [ 0.00710073, 0.00062502, 0.00365651 ], [ -0.00710074, 0.000625, -0.00365651 ], [ -0.007...
0
6.840381
pbe
true
747bea4ff04079c90f7f48ffb9b1c82e_51_Pt2Pb2Se6
[ "Pb", "Pu", "Tl" ]
10
A5B4C
Pb5Pu4Tl
Pu4 Tl1 Pb5
3
[ 1, 1, 1 ]
3
[ [ 3.42144421, 0, 3e-8 ], [ 0, 3.42144421, 1e-8 ], [ 0.00000206, 0.00000103, 24.5451787 ] ]
agm006051887
[ [ 4.3280315720000007e-7, 2.1640157860000004e-7, 5.156908172523394 ], [ 8.328198488000002e-7, 4.164099244000001e-7, 9.923161171700476 ], [ 3.4214454371801515, 3.421444823590076, 14.622017568299526 ], [ 3.421445837196843, 3.4214450235984217, 19.3882705674766...
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Pu", "Pu", "Pu", "Tl", "Pb", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
[ 0.5, 0.4, 0.1 ]
[ [ 6.6154733, 0, 6.2e-7 ], [ 0, 6.6154733, 3.1e-7 ], [ 6.2e-7, 3.1e-7, 6.8247585 ] ]
-79.333183
[ -5.59, 5.6, 5.6, -5.59, 0.026, 0.027, 0.002, -0.066, 0.002, 0.027 ]
[ [ 0, 0, 0.01293444 ], [ 0, 0, 0.01854905 ], [ 0, 0, -0.01854905 ], [ 0, 0, -0.01293444 ], [ 0, 0, 0 ], [ 0, 0, 0.00463336 ], [ 0, 0, 0.02573697 ], [ 0, 0, 0 ], [ 0, 0, -0.02573...
0.101977
29.977325
pbe
true
98c685c0ffcc0f1148445afb8ca89f60_123_Pu4Tl1Pb5
[ "Pb", "Pu", "Tm" ]
3
ABC
PbPuTm
Pb1 Pu1 Tm1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.630638, 3.630638 ], [ 3.630638, 0, 3.630638 ], [ 3.630638, 3.630638, 0 ] ]
oqmd-3369847
[ [ 1.8153199999999992, 1.8153199999999992, 1.8153199999999992 ], [ 5.445959999999999, 5.445959999999999, 5.445959999999999 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Pb", "Pu", "Tm" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 3.89431, 0, 0 ], [ 0, 3.89431, 0 ], [ 0, 0, 3.89431 ] ]
-21.6423
[ 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
6.89681
null
pbe
true
9bc01d3b3941aab567270324566e8998_216_Tm1Pu1Pb1
[ "Pd", "Sm", "Th" ]
16
A12B3C
Pd12Sm3Th
Sm3 Th1 Pd12
3
[ 1, 1, 1 ]
3
[ [ 4.18513528, 0, 0 ], [ 0, 4.18513428, 0 ], [ 0, 0, 16.70589162 ] ]
agm005917905
[ [ 0, 0, 4.210040554208814 ], [ 0, 0, 8.35294581 ], [ 0, 0, 12.495851065791184 ], [ 0, 0, 0 ], [ 2.09256764, 2.09256714, 0 ], [ 2.09256764, 2.09256714, 4.170362558081068 ], [ 2.09256764, 2.09256714, 8.35294581...
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Th", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.75, 0.1875, 0.0625 ]
[ [ 4.0323696, 0, 0 ], [ 0, 4.0323677, 0 ], [ 0, 0, 4.1404853 ] ]
-97.763229
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.0004888 ], [ 0, 0, 0 ], [ 0, 0, 0.0004888 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00081745 ], [ 0, 0, 0 ], [ 0, 0, 0.00081745 ], [ 0, 0, -0.00544809 ], [ 0, ...
0.000011
6.675886
pbe
true
0db3d301a3649ef1920d1f4dbc33509e_123_Sm3Th1Pd12
[ "Cd", "Li", "Y" ]
3
ABC
CdLiY
Li1 Y1 Cd1
3
[ 1, 1, 1 ]
3
[ [ 5.69714085, -0.01757045, -0.01941763 ], [ 3.24734406, 4.68107679, 0.01941768 ], [ -4.4614243, -2.35249644, 2.64944412 ] ]
agm003159232
[ [ 1.479484062138237, 0.7449948175698764, 2.6494441532098967 ], [ 3.1434886852797583, 1.6389629543821789, 1.7572217498959954e-8 ], [ 4.343148472582006, 2.238062028047944, 2.6494441692178863 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Li", "Cd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.3703494, 0.03301478, -0.02762914 ], [ 0.03301478, 2.3242416, 0.05299694 ], [ -0.02762914, 0.05299694, 2.3089685 ] ]
-9.73349
[ 0.14, 0.001, 0.001 ]
[ [ -0.0000417, -0.00002174, 0 ], [ -0.0034748, -0.0018117, 0 ], [ 0.0035165, 0.00183344, 0 ] ]
0.266263
1.668399
pbe
true
995e33ffee056f8574879b6fabe96c17_107_Li1Y1Cd1
[ "Li", "O", "P", "Ru" ]
21
A14B4C2D
LiO14P4Ru2
Li1 P4 Ru2 O14
4
[ 1, 1, 1 ]
3
[ [ 4.8689333, 0.00081721, -0.00007098 ], [ -1.98156555, 6.59702968, -0.01290183 ], [ -0.35571231, -0.3500606, 8.18970387 ] ]
agm003227280
[ [ -0.177856155, -0.1750303, 4.094851935 ], [ 0.09093397907611912, 4.714070214715198, 6.59705520845654 ], [ 2.4407214609238816, 1.5337160752848027, 1.5796758515434604 ], [ -1.2685102136273423, 4.15801288251418, 2.1656747788968103 ], [ 3.800165653627...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "P", "P", "P", "P", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.047619047619047616, 0.6666666666666666, 0.19047619047619047, 0.09523809523809523 ]
[ [ 0.5478626, -0.01731043, -0.01537081 ], [ -0.01731022, 0.456114, 0.02413481 ], [ -0.01537088, 0.02413478, 0.5671595 ] ]
-149.159757
[ 0, 0.001, 0.001, 0.003, 0.003, 1.09, 1.158, 0.026, 0.026, 0.028, 0.028, 0.007, 0.007, 0.042, 0.042, 0.065, 0.065, 0.065, 0.065, 0.026, 0.026 ]
[ [ 0, 0, 0 ], [ -0.00161683, 0.00209102, -0.00044752 ], [ 0.00161683, -0.00209102, 0.00044752 ], [ 0.0016305, -0.00037076, -0.00330222 ], [ -0.0016305, 0.00037076, 0.00330222 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [...
3.004584
7.767979
pbe
true
b551e2e48d8e87c0e615404d8e786c7f_2_Li1P4Ru2O14
[ "Li", "O", "P", "Sb" ]
36
A12B4CD
LiO12P4Sb
Li2 O24 P8 Sb2
4
[ 1, 1, 1 ]
3
[ [ 5.46421333, 0.00047581, -0.88941547 ], [ -1.12012514, 9.89237651, 3.77480074 ], [ -0.00063684, 0.00396749, 10.64720152 ] ]
mp-684082
[ [ 2.7127636783354308, 5.563240199163457, 7.562813831925232 ], [ 1.6306876716645688, 4.333579610836543, 5.969772958074768 ], [ -0.00031842, 0.001983745, 5.32360076 ], [ -0.56006257, 4.946188255, 1.88740037 ], [ 0.114229203189434, 7.6113510524498...
[{"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-10-15 15:35:08
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-246.567948
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.695289
pbe
true
ab8871d3abdf6ade331539aab26f32b9_12_Li2Sb2P8O24
[ "Li", "O", "P", "Sb" ]
40
A12B3C3D2
Li3O12P3Sb2
Li6 O24 P6 Sb4
4
[ 1, 1, 1 ]
3
[ [ 8.49865694, -0.70320726, -0.48993529 ], [ 3.9092196, 7.54158725, -0.46538723 ], [ 3.9092196, 2.17604379, 7.23581131 ] ]
mp-774523
[ [ 7.902791460351102, 9.641439729794724, 6.754588713351718 ], [ 8.328602505, 1.318087121710099, 2.163251730832799 ], [ 8.074195809648899, 4.54846143980789, 3.206231891840396 ], [ 7.988493635, 7.740213014346009, 4.054261047190249 ], [ 9.7855830893347...
[{"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-20 04:58:50
[ 0.15, 0.6, 0.15, 0.1 ]
[]
-259.968932
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.170152
pbe
true
7d665ae91cb0d541714a05564b201e98_5_Li6Sb4P6O24
[ "Li", "O", "P", "Sb" ]
48
A14B5C4D
Li5O14P4Sb
Li10 O28 P8 Sb2
4
[ 1, 1, 1 ]
3
[ [ 8.56473417, -0.40802481, -0.2023566 ], [ -1.68481184, 9.72160824, -0.03878794 ], [ -2.40482983, 1.28113958, 6.72016288 ] ]
mp-761952
[ [ -1.2312072722940444, 7.806134498907682, 4.384894634003158 ], [ -0.1881023015922212, 4.787964616723224, 4.5392070800509225 ], [ 0.14440303960591108, 8.964672494408129, 1.5747013142209674 ], [ 0.18730404980083729, 9.400703418143607, 6.372279989188821 ], ...
[{"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-02-12 12:32:56
[ 0.20833333333333334, 0.5833333333333334, 0.16666666666666666, 0.041666666666666664 ]
[]
-314.105085
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.873597
pbe
true
42917671fb8a1b43f8ea519e4a2e9933_2_Li10Sb2P8O28
[ "Cd", "Li", "Zn" ]
3
ABC
CdLiZn
Li1 Zn1 Cd1
3
[ 1, 1, 1 ]
3
[ [ 4.62219446, 0, 0 ], [ -2.31109723, 4.00293783, 0 ], [ 0, 0, 2.86034958 ] ]
agm003159236
[ [ -2.3110972377426223e-8, 2.6686252333431257, 2.0197856853853664 ], [ 2.311097253110973, 1.3343125966568736, 1.0098739071784637 ], [ 0, 0, 2.691039567436169 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Li", "Cd" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.2682037, 0, 0 ], [ 0, 4.2682037, 0 ], [ 0, 0, 4.287336 ] ]
-4.537316
[ 0, 0, 0 ]
[ [ 0, 0, -0.00327826 ], [ 0, 0, 0.0010227 ], [ 0, 0, 0.00225556 ] ]
-0.000004
1.08954
pbe
true
12be0310d6a947be01c49bf1ea9dec0f_156_Li1Zn1Cd1
[ "Ge", "Sc", "Ta" ]
5
A3BC
Ge3ScTa
Sc1 Ta1 Ge3
3
[ 1, 1, 1 ]
3
[ [ 4.87803488, 0, 0 ], [ 0, 4.87803488, 0 ], [ 0, 0, 4.87803488 ] ]
agm002592024
[ [ 0, 0, 0 ], [ 0, 2.43901744, 0 ], [ 0, 0, 2.43901744 ], [ 2.43901744, 0, 0 ], [ 2.43901744, 2.43901744, 2.43901744 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Ge", "Ge", "Ge", "Ta" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 2.5043795, 0, 0 ], [ 0, 2.5043795, 0 ], [ 0, 0, 2.5043795 ] ]
-26.247833
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000014
2.953443
pbe
true
b9811d28585c93ae3fad6b8c08e5b855_221_Sc1Ta1Ge3
[ "Li", "O", "P", "Sb" ]
88
A7B2CD
LiO7P2Sb
Li8 O56 P16 Sb8
4
[ 1, 1, 1 ]
3
[ [ -8.42532359, 0, -0.18354382 ], [ 0.1510431, 0, 8.53093574 ], [ 0, 16.88506996, 0 ] ]
mp-849265
[ [ -6.682724162358331, 15.992876371369567, 6.178051825951835 ], [ -6.75824571235833, 9.334728568630432, 1.9125839559518345 ], [ -5.442727617330286, 4.257136781817427, 5.787025975681694 ], [ -5.5182491673302865, 4.185398198182573, 1.5215581056816947 ], [...
[{"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-07-04 02:24:26
[ 0.09090909090909091, 0.6363636363636364, 0.18181818181818182, 0.09090909090909091 ]
[]
-588.009363
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
2.270151
pbe
true
36f7fc5cb16655a74a99c9a20d8d5591_14_Li8Sb8P16O56
[ "Li", "O", "P", "Sm" ]
36
A12B4CD
LiO12P4Sm
Li2 O24 P8 Sm2
4
[ 1, 1, 1 ]
3
[ [ 0, -7.13857856, 0 ], [ 6.68631148, -3.56928928, -4.89557678 ], [ 6.67818213, -3.56928928, 4.91928036 ] ]
mp-1199215
[ [ 6.684279142499999, -9.261915629667481, -2.441862495 ], [ 6.6802144675, -5.015241490332519, 2.465566075 ], [ 6.6802144675, -8.570255826171872, 2.465566075 ], [ 6.684279142499999, -5.706901293828128, -2.441862495 ], [ 11.519097099353374, -7.528...
[{"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": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Li", "Li", "Sm", "Sm", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 03:50:54
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ 1.12911389, 0, -1.31337781 ], [ 0, 1.46689856, 0 ], [ -1.31337775, 0, -0.95746339 ] ]
-264.145631
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00867651, 0 ], [ 0, -0.00867651, 0 ], [ 0, -0.02304646, 0 ], [ 0, 0.02304646, 0 ], [ 0.02948243, -0.03621943, 0.04274506 ], [ -0.02948243, -0.03621943, -0.04274506 ], [ -0.02948243, 0.03621943, -0.0427...
0
0.515192
pbe
true
41e9968ea46c42060d746a07c6da2952_15_Li2Sm2P8O24
[ "Li", "O", "P", "Sn" ]
23
A14B4C3D2
Li2O14P4Sn3
Li2 O14 P4 Sn3
4
[ 1, 1, 1 ]
3
[ [ 6.25671213, 0.0061022, 0.87882639 ], [ 2.94924568, 6.5992711, 2.60628997 ], [ -0.00931768, 0.04683177, 8.02205162 ] ]
mp-26871
[ [ 4.3420156843949185, 0.2881960161938582, 6.271349994814353 ], [ 4.854624445605082, 6.364009053806141, 5.235817985185646 ], [ 1.722058998066986, 1.8926163810694776, 7.779709531574803 ], [ 2.148577267765338, 4.437336560932966, 6.408937855237545 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Sn", "Sn", "Sn" ]
2014-02-20 09:35:13
[ 0.08695652173913043, 0.6086956521739131, 0.17391304347826086, 0.13043478260869565 ]
[ [ 0.14191301, 0.02067922, 0.03267785 ], [ 0.0207038, 0.03253923, 0.38051477 ], [ 0.03270523, 0.38049139, 0.01039346 ] ]
-153.003993
[]
[ [ -0.00066835, -0.00522359, 0.0016691 ], [ 0.00066835, 0.00522359, -0.0016691 ], [ -0.01074651, 0.00874121, 0.01840251 ], [ -0.00051678, 0.00873111, 0.01114073 ], [ 0.01117042, -0.00608666, -0.00281491 ], [ -0.00054168, 0.001511...
null
2.869732
pbe
true
b216640d58f352d54811fdd51a4cc927_2_Li2Sn3P4O14
[ "Li", "O", "P", "Sn" ]
24
A7B2C2D
Li2O7P2Sn
Li4 Sn2 P4 O14
4
[ 1, 1, 1 ]
3
[ [ 8.33396859, -0.00900013, -0.0241969 ], [ 6.68818824, 4.97224813, -0.0241969 ], [ 3.95746264, 1.30752652, 8.45889722 ] ]
agm003231228
[ [ 12.46272587061409, 3.296086439159923, 3.697382995556487 ], [ 13.95202026748135, 5.431217988515615, 7.926831605556488 ], [ 5.027599202518649, 0.8395565314843847, 0.4836718144435128 ], [ 6.516893599385909, 2.9746880808400764, 4.713120424443513 ], [ ...
[{"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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5833333333333334, 0.16666666666666666, 0.08333333333333333 ]
[ [ 0.37032363, -0.01707733, 0.00333387 ], [ -0.01707733, 0.41636893, 0.0011015 ], [ 0.00333388, 0.0011015, 0.42112976 ] ]
-156.609459
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00180779, -0.003371, -0.00040543 ], [ -0.00346025, 0.00163046, -0.00040543 ], [ 0.00346025, -0.00163046, 0.00040543 ], [ 0.00180779, 0.003371, 0.00040543 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00068576, 0.0011530...
0
0
pbe
true
ae3f7218b0aeb05b4436cb64be8bdc17_15_Li4Sn2P4O14
[ "Li", "O", "P", "Sn" ]
28
A18B6C3D
Li3O18P6Sn
Li3 O18 P6 Sn1
4
[ 1, 1, 1 ]
3
[ [ 6.89830009, 0.000661, -2.12323763 ], [ 1.89007351, 6.58912786, 3.05324898 ], [ 0.00025569, -0.00168133, 7.56785496 ] ]
mp-673096
[ [ 4.548182030145516, 3.2158531091868916, 0.6933662364491433 ], [ 7.093708733499768, 4.567625254277722, 1.3081170481052795 ], [ 2.1493244582987874, 4.185262334748139, 5.706631475023564 ], [ 1.038477407608137, 1.3657618783471768, 7.4537875212880405 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Sn", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2013-10-16 10:27:01
[ 0.10714285714285714, 0.6428571428571429, 0.21428571428571427, 0.03571428571428571 ]
[]
-189.35311
[ 0, 0.001, 0, 0.384, 0, 0.002, 0.003, 0.002, 0.003, 0.008, 0.032, 0.003, 0, 0.094, 0.005, 0.002, 0.004, 0.003, 0, 0.013, 0.008, 0.025, 0.008, 0.083, 0.061, 0.01, 0.005, 0.101 ]
[]
0.86
2.135388
pbe
true
d41aba8aa6e4248b82c64c4e8980c123_1_Li3Sn1P6O18
[ "Li", "O", "P", "Sn" ]
28
A4BCD
LiO4PSn
Li4 O16 P4 Sn4
4
[ 1, 1, 1 ]
3
[ [ 5.72631142, 0, 0.65836059 ], [ 0, 10.00729779, 0 ], [ 0.20229848, 0, 7.7172547 ] ]
mp-26299
[ [ 1.3848307484234876, 3.3302591808874378, 7.882197228893337 ], [ 1.7817726815765125, 8.333908075887438, 4.022865116106662 ], [ 4.146837218423488, 1.6733897141125629, 4.352750173893337 ], [ 4.543779151576512, 6.677038609112563, 0.4934180611066626 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Sn", "Sn", "Sn", "Sn" ]
2014-02-23 05:10:30
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[ [ 0.00002861, 0, 0.19806389 ], [ 0, -0.02268246, 0 ], [ 0.19803691, 0, 0.17764583 ] ]
-182.168624
[]
[ [ -0.00175507, -0.00478159, 0.00446402 ], [ 0.00175507, -0.00478159, -0.00446402 ], [ -0.00175507, 0.00478159, 0.00446402 ], [ 0.00175507, 0.00478159, -0.00446402 ], [ 0.01043907, -0.01081087, -0.00708981 ], [ 0.01304364, 0.0076...
null
1.496932
pbe
true
6a015816d88518a7bf3ecaa104f8f73d_14_Li4Sn4P4O16
[ "Cd", "Pt", "Zn" ]
4
A2BC
Cd2PtZn
Zn1 Cd2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 9.62790641, 0.0624069, 0.03667606 ], [ 9.14401102, 3.01455452, 0.03667606 ], [ 9.14401102, 1.49882233, 2.61580115 ] ]
agm004372890
[ [ 27.850314014293268, 4.565028690600488, 2.6828326034795937 ], [ 14.023578660706734, 2.2986469343995126, 1.350897301520406 ], [ 6.978982112500001, 1.1439459375, 0.6722883175 ], [ 20.9369463375, 3.4318378125, 2.0168649524999998 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"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"]}]
[ "Cd", "Cd", "Pt", "Zn" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.1048903, 0.0042741, 0.00251186 ], [ 0.0042741, 7.0795155, 0.00041173 ], [ 0.00251186, 0.00041173, 7.079057 ] ]
-9.239122
[ 0, 0, 0, 0 ]
[ [ -0.00624505, -0.00102365, -0.00060159 ], [ 0.00624505, 0.00102365, 0.00060159 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.954897
pbe
true
1a188e536a2912406f0481cafeca0a53_166_Zn1Cd2Pt1
[ "Cd", "Re", "Tc" ]
4
A2BC
Cd2ReTc
Cd2 Re1 Tc1
3
[ 1, 1, 1 ]
3
[ [ 5.03111948, 0, 0 ], [ 0, 5.03111948, 0 ], [ 0, 0, 2.75637016 ] ]
agm004359016
[ [ 0, 0, 0 ], [ 2.51555974, 2.51555974, 0 ], [ 2.51555974, 0, 1.37818508 ], [ 0, 2.51555974, 1.37818508 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Cd", "Cd", "Re", "Tc" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.1666923, 0, 0 ], [ 0, 7.1666923, 0 ], [ 0, 0, 7.777145 ] ]
-20.978059
[ 0.003, 0.003, 0.294, 0.496 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.850613
3.901414
pbe
true
a092b51442b8aa59a3830a6c7d52f1be_123_Cd2Re1Tc1
[ "Li", "O", "P", "Sn" ]
36
A12B4CD
LiO12P4Sn
Li2 O24 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 0, 7.16227774, 0 ], [ -8.19448002, 3.58113937, -0.00682706 ], [ 2.5631006, -3.58113937, 7.8044092 ] ]
mp-765286
[ [ -4.2235345650000005, 2.118355516383299, 5.848186605 ], [ -1.407844855, 5.043922223616701, 1.949395535 ], [ -4.2235345650000005, 5.771994972543112, 5.848186605 ], [ -1.407844855, 1.3902827674568867, 1.949395535 ], [ -6.900118910260878, 9.66828...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-15 11:46:28
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-247.043502
[ 0, 0, 0.005, 0.005, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.001, 0, 0.001 ]
[]
0.018
3.141088
pbe
true
df9e6a660d41b1ca31bf698d5b04e15e_15_Li2Sn2P8O24
[ "Li", "O", "P", "Sn" ]
36
A12B4CD
LiO12P4Sn
Li2 O24 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 6.2781439, 4.33604901, -0.09881756 ], [ -6.2781439, 4.33604901, 0.09881756 ], [ 1.0831875, 4.33604901, 9.22105552 ] ]
mp-1176593
[ [ -3.896217299999999, 8.658361763620242, 6.9899048100000005 ], [ 4.9794048, 4.34978526637976, 2.23115071 ], [ -3.13907195, 2.168024505, 0.04940878 ], [ 0.54159375, 2.168024505, 4.61052776 ], [ 2.3141422116556165, 8.61472714850183, 2.8346288...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 06:16:44
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ -1.76927512, 0, 0.44166276 ], [ 0, 1.25077729, 0 ], [ 0.44166218, 0, 0.75823207 ] ]
-247.120432
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.03682955, 0 ], [ 0, -0.03682955, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.04552333, 0.01985781, 0.07364189 ], [ -0.04154135, -0.11671815, 0.0371331 ], [ 0.04154135, -0.11671815, -0.0371331 ], [ -0.0...
0
2.948836
pbe
true
73f23af3444aded2c636bcd7f908ac25_15_Li2Sn2P8O24
[ "Li", "O", "P", "Sn" ]
46
A14B4C3D2
Li2O14P4Sn3
Li4 O28 P8 Sn6
4
[ 1, 1, 1 ]
3
[ [ 5.99667762, 0.21466361, -0.18875337 ], [ 2.41615587, 6.88261213, -0.22229475 ], [ 1.95412889, 1.99373605, 16.08365607 ] ]
mp-757547
[ [ 3.04113665437857, 3.08977385715363, 15.917557067488737 ], [ 3.6378377162455284, 4.912533710131281, 1.4075679979052393 ], [ 6.729124663754471, 4.178478079868718, 14.26503995209476 ], [ 7.32582572562143, 6.0012379328463705, -0.2449491174887367 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "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", ...
2014-05-30 09:38:22
[ 0.08695652173913043, 0.6086956521739131, 0.17391304347826086, 0.13043478260869565 ]
[]
-305.36708
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.884972
pbe
true
ee901473879af35d8c8ac4a015652f89_2_Li4Sn6P8O28
[ "Li", "O", "P", "Sn" ]
48
A14B5C4D
Li5O14P4Sn
Li10 O28 P8 Sn2
4
[ 1, 1, 1 ]
3
[ [ 8.6766952, -0.41731201, -0.12614142 ], [ -1.71816335, 9.57569051, -0.13568043 ], [ -2.38279407, 1.20736611, 6.64597518 ] ]
mp-757844
[ [ -1.2071624983790104, 7.658748696247571, 4.316114279576872 ], [ -0.19491957228329526, 4.863469282942365, 4.6880745396444246 ], [ 0.1839297567074183, 8.867289836638752, 1.5008787307219893 ], [ 0.5569590272213378, 9.16338976523071, 6.201480614091937 ], ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-05-06 01:01:14
[ 0.20833333333333334, 0.5833333333333334, 0.16666666666666666, 0.041666666666666664 ]
[]
-313.010675
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.061934
pbe
true
9446d818a4a5b5e28e43cdc586ee7a80_2_Li10Sn2P8O28
[ "Li", "O", "P", "Sn" ]
48
A16B5C2D
LiO16P5Sn2
Li2 O32 P10 Sn4
4
[ 1, 1, 1 ]
3
[ [ 19.02713556, 0, -0.82252316 ], [ 0, 7.1902975, 0 ], [ 0.00090434, 0, 5.20140325 ] ]
mp-673029
[ [ 18.37575758350336, 4.5401727141559, 3.319537224452495 ], [ 8.862189803503362, 2.6501247858441, 3.7307988044524953 ], [ 7.8138518682256, 6.0346622441597, 3.5329502389190637 ], [ 1.7288631148637101, 6.046855622563175, 1.257782080002764 ], [ 17.3274...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "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", "O", "O", "O...
2013-10-16 07:35:35
[ 0.041666666666666664, 0.6666666666666666, 0.20833333333333334, 0.08333333333333333 ]
[]
-327.663034
[ 0.002, 0.002, 0.394, 0.396, 0.394, 0.385, 0.007, 0.006, 0.007, 0.009, 0.01, 0.012, 0.01, 0.011, 0.01, 0.006, 0.001, 0.079, 0.083, 0.001, 0.065, 0.003, 0.022, 0.017, 0.042, 0.09, 0.098, 0.049, 0.035, 0.091, 0.054, 0.046, 0.038, 0.018, 0.037, 0.09,...
[]
3.276
2.70179
pbe
true
02b312a12b104aa8fc2984e8a6bde0a2_7_Li2Sn4P10O32
[ "Li", "O", "P", "Sn" ]
48
A7B2C2D
Li2O7P2Sn
Li8 O28 P8 Sn4
4
[ 1, 1, 1 ]
3
[ [ 8.67651778, 0, -0.55379368 ], [ 0, 5.09438061, 0 ], [ -4.589391, 0, 14.37253404 ] ]
mp-758115
[ [ -3.073997905725774, 3.8169727721076696, 9.753910567647955 ], [ -0.7793024057257737, 3.8245981428923304, 2.567643547647955 ], [ 1.309699217521878, 1.364417158689407, 11.538221295418838 ], [ 0.4827320624781213, 3.911607463689407, 9.466786084581162 ], [...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-05-30 08:08:33
[ 0.16666666666666666, 0.5833333333333334, 0.16666666666666666, 0.08333333333333333 ]
[]
-316.343099
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
2.181136
pbe
true
4a12eb6e3a2f770a79c6500268a811c8_14_Li8Sn4P8O28
[ "Cd", "Ru", "Se" ]
3
ABC
CdRuSe
Cd1 Ru1 Se1
3
[ 1, 1, 1 ]
3
[ [ 3.36879483, 0, 0 ], [ -1.68439741, 2.9174619, 0 ], [ 0, 0, 6.23996165 ] ]
agm004265443
[ [ 0, 0, 0.2323143338260485 ], [ 1.6843974335106409, 0.972487290275127, 2.309323632794613 ], [ -1.3510640966098187e-8, 1.9449746097248732, 3.698323683379338 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Ru", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.4806404, 0, 0 ], [ 0, 4.4806404, 0 ], [ 0, 0, 4.5151663 ] ]
-13.84449
[ 0, 0, 0 ]
[ [ 0, 0, 0.00419593 ], [ 0, 0, -0.0041049 ], [ 0, 0, -0.00009104 ] ]
-0
0.216904
pbe
true
1c1808afc570d95083d05ee5596b7c53_156_Cd1Ru1Se1
[ "Li", "O", "P", "Sn" ]
56
A4BCD
LiO4PSn
Li8 O32 P8 Sn8
4
[ 1, 1, 1 ]
3
[ [ 7.72109786, 0, 0 ], [ 0, 13.56622696, 0 ], [ 0, 0, 7.39081994 ] ]
mp-757590
[ [ 1.2543380562563313, 3.1290137551734776, 1.2182028350240113 ], [ 1.2543380562563313, 3.6540997248265223, 4.9136128050240115 ], [ 2.6062108737436693, 9.912127235173479, 1.2182028350240113 ], [ 2.6062108737436693, 10.437213204826522, 4.9136128050240115 ],...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-05-06 04:42:53
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[]
-361.685132
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.653089
pbe
true
3d3ea6d9b92c93b6b9143b0920c63045_61_Li8Sn8P8O32
[ "Li", "O", "P", "Sn" ]
56
A9B3CD
LiO9P3Sn
Li4 O36 P12 Sn4
4
[ 1, 1, 1 ]
3
[ [ 10.91386365, 0, 0 ], [ 0, 12.66435931, 0 ], [ 0, 0, 5.61287474 ] ]
mp-757838
[ [ 1.142060307036042, 1.2323377767757906, 0.7425708675200772 ], [ 4.314871517963958, 11.432021533224209, 3.549008237520077 ], [ 6.598992132036042, 5.099841878224209, 4.870303872479922 ], [ 9.771803342963958, 7.564517431775791, 2.063866502479923 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-05-05 14:53:07
[ 0.07142857142857142, 0.6428571428571429, 0.21428571428571427, 0.07142857142857142 ]
[]
-380.28344
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
3.016212
pbe
true
ea72081e16ed7cf4c3e7da191e4d6d17_19_Li4Sn4P12O36
[ "Li", "O", "P", "Sn" ]
60
A8B4C2D
Li4O8P2Sn
Li16 O32 P8 Sn4
4
[ 1, 1, 1 ]
3
[ [ 8.27428888, 0, 0.25779073 ], [ 0, 10.42902543, 0 ], [ -1.85400026, 0, 8.82619654 ] ]
mp-774623
[ [ -0.2464395194423106, 6.874830562767451, 5.310521212622523 ], [ 0.019029953943468042, 1.709695528729346, 5.719152941052003 ], [ 0.9917678138894668, 3.6050327160448985, 1.5582043518430604 ], [ 1.020486264197561, 4.404094424046577, 4.287335036378551 ], ...
[{"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": "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", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2014-02-20 05:38:30
[ 0.26666666666666666, 0.5333333333333333, 0.13333333333333333, 0.06666666666666667 ]
[]
-380.113934
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.919143
pbe
true
fb75038bf57cb2ff172330e979137264_14_Li16Sn4P8O32
[ "Li", "O", "P", "Sn" ]
66
A21B7C3D2
Li3O21P7Sn2
Li6 O42 P14 Sn4
4
[ 1, 1, 1 ]
3
[ [ 6.75747178, -0.01442401, 0.23701818 ], [ -3.19024567, 6.78006161, -0.38481443 ], [ -1.8916892, -0.46559644, 20.37981001 ] ]
mp-757560
[ [ -2.4495805136299014, 5.1381084688430825, 15.042211927695051 ], [ 1.1200338495139095, 1.4639250647784225, 11.539773121557559 ], [ 0.6467617901997167, 5.350640751444629, 18.46219689712371 ], [ 1.0287751198002832, 0.9494004085553709, 1.769816862876288 ], ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-05-08 01:31:36
[ 0.09090909090909091, 0.6363636363636364, 0.21212121212121213, 0.06060606060606061 ]
[]
-446.434549
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
1.705899
pbe
true
8ad7becb3fa3238a9555c2ca138d73e0_2_Li6Sn4P14O42
[ "Li", "O", "P", "Sn" ]
72
A12B3C2D
LiO12P3Sn2
Li4 O48 P12 Sn8
4
[ 1, 1, 1 ]
3
[ [ 12.32149761, 0, 0 ], [ 0, 8.7597404, 0 ], [ 0, 0, 8.87811013 ] ]
mp-773129
[ [ 8.338575971867021, 1.887736845420984, 6.92816783209507 ], [ 8.338575971867021, 6.872003554579016, 2.4891127670950706 ], [ 10.143670443132978, 2.4921333545790163, 2.4891127670950706 ], [ 10.143670443132978, 6.267607045420984, 6.92816783209507 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-02-19 11:39:04
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-489.759873
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
1.93988
pbe
true
a702411b67e8eeafdbcfb80e486ded8b_29_Li4Sn8P12O48
[ "Li", "O", "P", "Sn" ]
72
A12B4CD
LiO12P4Sn
Li4 O48 P16 Sn4
4
[ 1, 1, 1 ]
3
[ [ 10.34405396, 0, 0.24111675 ], [ 0, 9.0874235, 0 ], [ -2.85975518, 0, 10.06766959 ] ]
mp-757974
[ [ 0.4482079782955232, 8.574948884002994, 10.08660007199453 ], [ 0.43418623170447695, 4.031237134002995, 5.135462688005469 ], [ 7.050112548295524, 5.0561863659970046, 5.173323651994531 ], [ 7.036090801704478, 0.512474615997005, 0.222186268005469 ], [ ...
[{"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Li", "Li", "Li", "Li", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2014-05-31 03:21:08
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-491.817253
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
2.927709
pbe
true
44cda921d154673944c40a903c798384_14_Li4Sn4P16O48
[ "Li", "O", "P", "Sn" ]
80
A12B3C3D2
Li3O12P3Sn2
Li12 O48 P12 Sn8
4
[ 1, 1, 1 ]
3
[ [ 8.93929052, 0.18101791, 0 ], [ 0.25593442, 13.13666607, 0 ], [ 0, 0, 9.12966342 ] ]
mp-757899
[ [ 0.9546727810557667, 9.37107996423309, 0.686994847309383 ], [ 1.9965873821648648, 2.3306002676433897, 7.092657117374773 ], [ 1.9516860444044475, 10.638521904217619, 6.808709338474862 ], [ 2.6010250878351355, 4.32824172235661, 2.527825407374773 ], [ ...
[{"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": "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", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2014-05-30 17:27:54
[ 0.15, 0.6, 0.15, 0.1 ]
[]
-525.093414
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
2.559421
pbe
true
6ea42c91e34218ebe9aa1da205ee6364_14_Li12Sn8P12O48
[ "Li", "O", "P", "Sn" ]
84
A4BCD
LiO4PSn
Li12 O48 P12 Sn12
4
[ 1, 1, 1 ]
3
[ [ 25.14235366, 0, 0 ], [ 0, 5.39672005, 0 ], [ 0, 0, 8.68467713 ] ]
mp-757945
[ [ 2.274555068523976, 1.3042946823361425, 0.6145873306039119 ], [ 1.8535088943803228, 3.9110904470998102, 5.055882754387527 ], [ 6.5235824148160475, 1.266964652307884, 3.6218499340857835 ], [ 6.047594415183953, 3.965324677307884, 7.964188499085783 ], [ ...
[{"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": "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", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", ...
2014-05-06 02:53:26
[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]
[]
-543.577838
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
2.587663
pbe
true
f73a4df798b7b85700d9691d4e76c4e1_33_Li12Sn12P12O48
[ "Cd", "Ru", "Tc" ]
4
A2BC
CdRuTc2
Cd1 Tc2 Ru1
3
[ 1, 1, 1 ]
3
[ [ 3.07232247, 0, 0 ], [ 0, 4.39419379, 0 ], [ 0, 0, 4.64674066 ] ]
agm004171747
[ [ 1.536161235, 0, 2.32337033 ], [ 0, 2.197096895, 2.32337033 ], [ 0, 0, 0 ], [ 1.536161235, 2.197096895, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Ru", "Tc", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 6.873686, 0, 0 ], [ 0, 6.4369783, 0 ], [ 0, 0, 7.235304 ] ]
-28.724654
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000004
5.44301
pbe
true
c25b515b12f15edbde43d084d718cf03_47_Cd1Tc2Ru1
[ "Li", "O", "P", "Sr" ]
20
A6B2CD
LiO6P2Sr
Sr2 Li2 P4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.77338003, 0.60129372, 0.40383494 ], [ -0.23248383, 6.79604167, 0.40383494 ], [ -1.44152873, -1.63027683, 5.36668253 ] ]
agm004945350
[ [ 0.7935705553982375, 5.162552967285509, 1.7455055725 ], [ 4.305796914601762, 0.6045055927144907, 4.4288468375 ], [ 3.50847430121289, 2.7619718612414883, 1.7455055725 ], [ 1.5908931687871108, 3.0050866987585128, 4.4288468375 ], [ 0.9050152500519169...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Sr", "Li", "Li", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 0.6606543, -0.09477234, -0.00474455 ], [ -0.09477234, 0.6372728, -0.00536578 ], [ -0.00474456, -0.0053658, 0.80459565 ] ]
-132.75759
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00260716, -0.00230531, 0 ], [ -0.00260716, 0.00230531, 0 ], [ -0.0033767, 0.00298576, 0 ], [ 0.0033767, -0.00298576, 0 ], [ 0.0041538, 0.00014398, 0.00217437 ], [ 0.00036565, -0.00414018, -0.00217437 ], [ -0.0041...
0.000021
3.653996
pbe
true
c5cfe4478446f5d83c1d6b941a7ece50_15_Sr2Li2P4O12
[ "Li", "O", "P", "Tb" ]
36
A12B4CD
LiO12P4Tb
Li1 O12 P4 Tb1
4
[ 1, 1, 1 ]
3
[ [ 0, 6.9702, 0 ], [ -8.061188, -3.4851, -0.037292 ], [ 2.502054, -3.4851, 7.693112 ] ]
oqmd-2071838
[ [ -1.3897799999999991, 1.4239299999999964, 1.9139600000000028 ], [ -4.169350000000003, -1.423930000000003, 5.74187 ], [ -6.459230000000002, -1.92967, 0.3352399999999999 ], [ -5.930079999999996, 2.6261300000000003, 0.5747099999999998 ], [ -1.5736799...
[{"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": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}]
[ "Li", "Li", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "P", "P", "P", "P", "Tb", "Tb" ]
2024-11-01 00:00:00
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ 42.6669, 0, 2.72744 ], [ 0, 44.92405, 0 ], [ 2.72744, 0, 42.94033 ] ]
-263.638
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.048063, 0 ], [ 0, -0.048063, 0 ], [ -0.004856, -0.005331, -0.0114 ], [ -0.00087, 0.082951, -0.007384 ], [ -0.018272, -0.016237, 0.017186 ], [ 0.044897, 0.009621, 0.04223 ], [ -0.025023, 0.006236, 0.006...
0.008882
null
pbe
true
ebdf36092d3d90ba0871826af7fa28ab_15_Li2Tb2P8O24
[ "Li", "O", "P", "Ti" ]
28
A8B3C2D
Li3O8P2Ti
Li6 Ti2 P4 O16
4
[ 1, 1, 1 ]
3
[ [ 8.88632742, 0, 0 ], [ 0, 4.99779179, -0.01172938 ], [ 0, 4.45130553, 6.44320985 ] ]
agm005264481
[ [ 7.6760764505782, 4.67138495198443, 4.405735818901708 ], [ 4.44316371, 0, 0 ], [ 3.2329127405781986, 7.00336513301557, 5.247349576098291 ], [ 0, 2.225652765, 3.221604925 ], [ 5.653414679421801, 2.4457321869844297, 1.1841308939017086 ], ...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.21428571428571427, 0.5714285714285714, 0.14285714285714285, 0.07142857142857142 ]
[ [ 0.4732552, 0, 0 ], [ 0, 0.662699, -0.1246828 ], [ 0, -0.12468279, 0.7125196 ] ]
-195.656647
[ 0, 0, 0, 0, 0, 0, 0.907, 0.907, 0.008, 0.008, 0.008, 0.008, -0.003, 0, -0.007, -0.001, -0.007, -0.001, 0, -0.003, -0.003, 0, -0.001, -0.007, -0.001, -0.007, 0, -0.003 ]
[ [ 0.00221476, 0.00002658, 0.00085601 ], [ 0, 0, 0 ], [ 0.00221476, -0.00002658, -0.00085601 ], [ 0, 0, 0 ], [ -0.00221476, 0.00002658, 0.00085601 ], [ -0.00221476, -0.00002658, -0.00085601 ], [ 0, 0, 0 ], ...
2.000167
1.838637
pbe
true
a88601b9d6b7db032e08c3316a4f08d0_14_Li6Ti2P4O16
[ "Li", "O", "P", "Ti" ]
36
A12B3C2D
LiO12P3Ti2
Li2 O24 P6 Ti4
4
[ 1, 1, 1 ]
3
[ [ -8.6606882, -0.00496255, 0.03341768 ], [ -4.33365433, -7.50033103, 0.05746378 ], [ -4.35907972, -2.49360972, 7.12647516 ] ]
mp-762322
[ [ -9.283693753329338, -5.913011330607305, 4.921226678632439 ], [ -5.364378431973432, -7.523620795493764, 1.422332912891829 ], [ -13.044554948197625, -5.239253176936786, 6.214480449815689 ], [ -8.681521419395837, -7.78014368678249, 2.6414925059458416 ], ...
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-12 16:51:53
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-278.404657
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
1.785382
pbe
true
95378832514f6444093657afde8779d0_5_Li2Ti4P6O24
[ "Li", "O", "P", "Ti" ]
36
A12B4CD
LiO12P4Ti
Li2 O24 P8 Ti2
4
[ 1, 1, 1 ]
3
[ [ 5.14326043, 0, 0.34701596 ], [ 0, 13.82714474, 0 ], [ -1.04946754, 0, 7.05524869 ] ]
mp-758240
[ [ 2.8393666496614824, 13.652681985686076, 1.0210197512766581 ], [ 1.2544262403385174, 6.739109615686076, 6.381244898723342 ], [ 2.081484773656639, 10.563582532382945, 3.7908018065978197 ], [ 2.012308116343361, 3.6500101623829453, 3.6114628434021805 ], ...
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-31 11:18:18
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[]
-262.537266
[ 0, 0, 0.896, 0.896, 0.006, 0.006, 0.001, 0.001, 0.001, 0.001, 0.006, 0.006, 0, 0, 0, -0.001, 0.001, 0, 0.001, 0.002, 0.002, -0.006, -0.006, 0, 0, -0.006, -0.006, 0.002, 0.002, 0.001, 0, 0.001, -0.001, 0, 0, 0 ]
[]
1.806
3.628938
pbe
true
8ec0fc5644af880acfe3a0699549881a_4_Li2Ti2P8O24
[ "Li", "O", "P", "Ti" ]
56
A9B2C2D
LiO9P2Ti2
Li4 O36 P8 Ti8
4
[ 1, 1, 1 ]
3
[ [ 6.41052494, 0, 0 ], [ 0, 7.64232098, 0 ], [ 0, 0, 14.06062666 ] ]
mp-1013762
[ [ 4.807893705, 7.277830797992223, 10.877448701968463 ], [ 4.807893705, 4.185650672007777, 3.847135371968464 ], [ 1.6026376455249398, 3.456662665671243, 10.213491288031538 ], [ 1.6026376455249398, 0.364490182007777, 3.183177958031537 ], [ 4.80789370...
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2016-10-26 14:36:35
[ 0.07142857142857142, 0.6428571428571429, 0.14285714285714285, 0.14285714285714285 ]
[]
-435.25442
[ 0, 0, 0, 0, 0.186, 0.186, 0.183, 0.183, 0.748, 0.757, 0.754, 0.757, 0.008, 0.007, 0.007, 0.007, 0.001, 0.001, 0.001, 0.001, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.008, -0.006, -0.006, -0.006, -0.006, -0.009, -0.009, -0.009, -0...
[]
3.614
4.078216
pbe
true
e6829060d21bbd67af6ce7043644592f_62_Li4Ti8P8O36
[ "Li", "O", "P", "Ti" ]
72
A12B3C2D
LiO12P3Ti2
Li4 O48 P12 Ti8
4
[ 1, 1, 1 ]
3
[ [ 12.02978595, 0, 0 ], [ 0, 8.65444802, 0 ], [ 0, 0, 8.70524223 ] ]
mp-773017
[ [ 8.182795257090499, 1.8483063177214243, 6.76635540224624 ], [ 8.182795257090499, 6.806141702278576, 2.413734287246239 ], [ 9.861883667909503, 2.478917692278576, 2.413734287246239 ], [ 9.861883667909503, 6.175530327721424, 6.76635540224624 ], [ 1.4...
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O"...
2014-02-19 04:52:47
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-557.109696
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[]
0
1.773423
pbe
true
f4189b99652154d45d11d96d1f1b6e4d_29_Li4Ti8P12O48
[ "Li", "O", "P", "Ti" ]
80
A12B3C3D2
Li3O12P3Ti2
Li12 O48 P12 Ti8
4
[ 1, 1, 1 ]
3
[ [ 8.52345877, -0.00343407, 0.13057091 ], [ -0.00365763, 8.90583856, 0.0040842 ], [ 0.04683818, 0.00553954, 12.12400463 ] ]
mp-25935
[ [ 7.989511943037959, 4.345384971364352, 4.336513032461941 ], [ 3.558414046816822, 5.215700034617803, 2.3294425609413074 ], [ 3.7525506596448848, 0.10945193271576228, 10.330897832513028 ], [ 7.842303083312282, 8.143067107712387, 8.457767277323361 ], [ ...
[{"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2018-07-02 14:25:26
[ 0.15, 0.6, 0.15, 0.1 ]
[ [ 0.16678062, 1.64570589, -0.37606423 ], [ 1.64570606, -3.45788058, -2.44907081 ], [ -0.37606451, -2.44907117, -0.41770091 ] ]
-585.02101
[ 0.001, 0, 0.001, 0, 0.001, 0, 0, 0, 0.001, 0, 0, 0, 0.91, 0.896, 0.906, 0.91, 0.903, 0.896, 0.906, 0.903, 0.007, 0.012, 0.007, 0.008, 0.007, 0.007, 0.012, 0.008, 0.012, 0.007, 0.007, 0.012, -0.005, -0.002, 0, -0.005, -0.004, -0.005, 0.005, ...
[ [ -0.01182316, -0.02163452, -0.00549068 ], [ 0.06294422, 0.01112593, 0.01931003 ], [ -0.01450008, 0.0257154, 0.00747761 ], [ 0.05339063, -0.00898521, 0.02853496 ], [ 0.01182316, 0.02163452, 0.00549068 ], [ 0.04189525, -0.0581608...
7.194
4.733255
pbe
true
dad289cd6e5decc7d77cc9f2aa4a833e_14_Li12Ti8P12O48
[ "Cd", "Ru", "W" ]
4
A2BC
Cd2RuW
Cd2 Ru1 W1
3
[ 1, 1, 1 ]
3
[ [ 3.00950287, 0, 0 ], [ 0, 3.00950287, 0 ], [ 0, 0, 8.0282953 ] ]
agm004004821
[ [ 0, 0, 7.876917055424273 ], [ 1.504751435, 1.504751435, 2.2115114746281916 ], [ 0, 0, 4.268887948640543 ], [ 1.504751435, 1.504751435, 5.713421610741086 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
[ "Cd", "Cd", "Ru", "W" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 7.14873, 0, 0 ], [ 0, 7.14873, 0 ], [ 0, 0, 6.6694884 ] ]
-23.356874
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00593929 ], [ 0, 0, -0.00616895 ], [ 0, 0, 0.00330814 ], [ 0, 0, 0.0088001 ] ]
-0.000002
2.276002
pbe
true
e5cb26537182c83aa880bf89b4a8dd2c_99_Cd2Ru1W1
[ "Li", "O", "P", "U" ]
112
A20B4C3D
LiO20P3U4
Li4 U16 P12 O80
4
[ 1, 1, 1 ]
3
[ [ 9.99251519, 0, 0 ], [ 0, 9.9861618, 0.00743542 ], [ 0, 4.93849397, 17.07466889 ] ]
agm005277334
[ [ 3.709569877682372, 11.221825403042999, 15.572220261359051 ], [ 6.282945312317628, 3.7028303669570004, 1.509884048640951 ], [ 8.705827472682373, 6.172077351957, 10.047218493640951 ], [ 1.2866877173176285, 8.752578418042999, 7.03488581635905 ], [ 6...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Li", "Li", "Li", "Li", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O",...
2023-11-16 06:57:59
[ 0.03571428571428571, 0.7142857142857143, 0.10714285714285714, 0.14285714285714285 ]
[ [ 0.66375893, 0, 0 ], [ 0, 0.6288182, 0.02179236 ], [ 0, 0.0217923, 0.5758147 ] ]
-955.780777
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0...
[ [ -0.00046455, -0.00009512, -0.00244752 ], [ 0.00046455, 0.00009512, 0.00244752 ], [ -0.00046455, 0.00009512, 0.00244752 ], [ 0.00046455, -0.00009512, -0.00244752 ], [ 0.00033137, 0.00025257, -0.00279632 ], [ 0.00033137, -0.0002...
0.000014
0
pbe
true
7be1c09847adff2dc97c2761c7f7d7ad_14_Li4U16P12O80
[ "Be", "K", "Rb" ]
5
A3BC
Be3KRb
K1 Rb1 Be3
3
[ 1, 1, 1 ]
3
[ [ 6.07648273, 0, 0 ], [ 0, 6.07648273, 0 ], [ 0, 0, 6.07648273 ] ]
agm002419257
[ [ 0, 3.038241365, 0 ], [ 0, 0, 3.038241365 ], [ 3.038241365, 0, 0 ], [ 3.038241365, 3.038241365, 3.038241365 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Be", "Be", "Be", "K", "Rb" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.2 ]
[ [ 0.0303208, 0, 0 ], [ 0, 0.0303208, 0 ], [ 0, 0, 0.0303208 ] ]
-3.851133
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
4.476552
pbe
true
31054cf9152408291c654602463d156c_221_K1Rb1Be3
[ "Li", "O", "P", "V" ]
32
A10B3C2D
Li2O10P3V
Li4 V2 P6 O20
4
[ 1, 1, 1 ]
3
[ [ 8.15222132, 0.09250205, 0.00112304 ], [ 4.95777368, 6.47207457, 0.00112304 ], [ 5.34194174, 2.67487408, 7.69634893 ] ]
agm003240837
[ [ 14.678408559065582, 7.354030946645109, 7.335670701664725 ], [ 12.010721804850837, 6.010035259524473, 3.487496236664725 ], [ 6.441214935149163, 3.229415440475527, 4.211098773335276 ], [ 3.7735281809344174, 1.8854197533548904, 0.362924308335275 ], [ ...
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Li", "Li", "Li", "Li", "V", "V", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.625, 0.1875, 0.0625 ]
[ [ 0.59371483, 0.02190866, 0.00755125 ], [ 0.02190866, 0.5609318, 0.00378114 ], [ 0.00755135, 0.00378119, 0.47816247 ] ]
-225.071461
[ 0, 0, 0, 0, 1.911, 1.911, 0.004, 0.004, 0.002, 0.002, 0.004, 0.004, -0.004, -0.004, -0.003, 0.001, -0.012, -0.003, 0.001, 0.001, -0.012, 0.001, 0.001, -0.012, 0.001, 0.001, -0.003, -0.012, 0.001, -0.003, -0.004, -0.004 ]
[ [ 0.0015715, -0.0012409, -0.00238181 ], [ -0.00005216, 0.00200168, -0.00238181 ], [ 0.00005216, -0.00200168, 0.00238181 ], [ -0.0015715, 0.0012409, 0.00238181 ], [ -0.0015695, 0.00313442, 0 ], [ 0.0015695, -0.00313442, 0 ]...
3.999999
0
pbe
true
4c30d01804dd6b1397958784f0fad617_15_Li4V2P6O20
[ "Cd", "Si", "Y" ]
4
A2BC
CdSi2Y
Y1 Cd1 Si2
3
[ 1, 1, 1 ]
3
[ [ 5.74916639, -0.00211145, -0.00467622 ], [ 2.89900861, 4.96474247, 0.00467622 ], [ -4.14510148, -2.79322552, 2.84059245 ] ]
agm003888753
[ [ 1.5013122005835, 2.3047911683198685, 1.422634335 ], [ 4.129095299569999, 1.9548034692235277, 2.84059245 ], [ 3.2194139178019996, -0.010488850629259083, 1.417958115 ], [ 4.4804131220445, 2.571020723085863, -7.222380040401433e-20 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Cd", "Si", "Si", "Y" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.2666407, -0.02495911, 0.02100456 ], [ -0.02495911, 2.2958133, -0.03660247 ], [ 0.02100456, -0.03660247, 2.2993128 ] ]
-19.134609
[ 0, 0, 0, 0 ]
[ [ 0.00202753, 0.00116347, 0 ], [ -0.00632952, -0.0036321, 0 ], [ 0.00250899, 0.00143975, 0 ], [ 0.001793, 0.00102889, 0 ] ]
0
1.07892
pbe
true
3d4a4363962c633147a912f97cdda602_44_Y1Cd1Si2
[ "Cd", "Sm", "Tl" ]
4
A2BC
Cd2SmTl
Sm1 Tl1 Cd2
3
[ 1, 1, 1 ]
3
[ [ 3.92578589, 0, 0 ], [ 0, 3.92578589, 0 ], [ 0, 0, 6.96893624 ] ]
agm001125634
[ [ 1.962892945, 1.962892945, 0 ], [ 1.962892945, 1.962892945, 3.48446812 ], [ 0, 0, 5.256899347310906 ], [ 0, 0, 1.7120368926890934 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Tl", "Sm", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.942342, 0, 0 ], [ 0, 4.942342, 0 ], [ 0, 0, 5.086776 ] ]
-9.578919
[ 0.002, 0.165, 0.006, 0.006 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01547584 ], [ 0, 0, 0.01547584 ] ]
0.36425
2.553393
pbe
true
9d0220816e066e1b02bbe38926ea5851_123_Sm1Tl1Cd2
[ "Cd", "Ta", "Tc" ]
4
A2BC
Cd2TaTc
Ta1 Cd2 Tc1
3
[ 1, 1, 1 ]
3
[ [ 3.47301032, 0, 0 ], [ 0, 4.30918792, 0 ], [ 0, 0, 4.81729284 ] ]
agm004084623
[ [ 0, 0, 0 ], [ 1.73650516, 2.15459396, 0 ], [ 1.73650516, 0, 2.40864642 ], [ 0, 2.15459396, 2.40864642 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Cd", "Cd", "Ta", "Tc" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 6.1757684, 0, 0 ], [ 0, 6.2082195, 0 ], [ 0, 0, 5.7180815 ] ]
-22.870606
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000056
2.013413
pbe
true
e326723ad4d0e249dbc4cb323a125e22_47_Ta1Cd2Tc1
[ "Cd", "Ta", "Te" ]
3
ABC
CdTaTe
Ta1 Cd1 Te1
3
[ 1, 1, 1 ]
3
[ [ 4.84568361, 0, 0 ], [ 2.42284181, 4.19648511, 0 ], [ 2.42284181, 1.39882837, 3.9564841 ] ]
agm004061584
[ [ 2.4228418074999998, 1.39882837, 0.989121025 ], [ 4.8456836149999996, 2.79765674, 1.97824205 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Cd", "Te", "Ta" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.411323, 0, 0 ], [ 0, 2.411323, 0 ], [ 0, 0, 2.411323 ] ]
-12.093416
[ 0.042, -0.039, 1.405 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.044525
3.246589
pbe
true
983eab0096a6dbace107c06b7c0fa651_216_Ta1Cd1Te1
[ "Cd", "Ta", "W" ]
4
A2BC
CdTa2W
Ta2 Cd1 W1
3
[ 1, 1, 1 ]
3
[ [ 10.33523954, -0.00601847, -0.00352053 ], [ 9.93312278, 2.85487028, -0.00352053 ], [ 9.93312278, 1.39616583, 2.49018427 ] ]
agm004196240
[ [ 7.500042614184807, 1.054180385254175, 0.6166478181605597 ], [ 15.065273925898557, 2.117523471283584, 1.238655401614176 ], [ 0.037687527211737, 0.0052972301624268, 0.0030986399174627003 ], [ 22.699223582704896, 3.1905253732998142, 1.8663129553078015 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Cd", "W", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.225186, 0.02207631, 0.01291364 ], [ 0.02207631, 4.071225, 0.0018151 ], [ 0.01291364, 0.0018151, 4.069184 ] ]
-35.954484
[ 0, 0, 0, 0 ]
[ [ 0.00105708, 0.00014858, 0.00008691 ], [ -0.0035849, -0.00050388, -0.00029475 ], [ -0.00049291, -0.00006928, -0.00004053 ], [ 0.00302073, 0.00042458, 0.00024836 ] ]
0.000005
3.018114
pbe
true
7c69c7b47d324b65082695fe9ed1db61_160_Ta2Cd1W1
[ "Bi", "Cs", "Zn" ]
11
A5B4C2
Bi4Cs5Zn2
Cs5 Zn2 Bi4
3
[ 1, 1, 1 ]
3
[ [ 4.76382815, 0, 0 ], [ 0, 9.71921281, -3.57511869 ], [ -2.38191407, -6.98659723, 14.39899042 ] ]
agm003363097
[ [ 1.6708026089727218e-9, 5.919903080856798, 1.775218243553596 ], [ 2.3819140783291974, -3.187287500856798, 9.048653486446405 ], [ -2.214411214136836e-8, 0.11939645824106235, 3.9188766798075667 ], [ 2.381914075, 0, 0 ], [ 2.381914102144112, 2.61...
[{"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"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "Cs", "Zn", "Zn", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.36363636363636365, 0.45454545454545453, 0.18181818181818182 ]
[ [ 0.2809353, 0, 0 ], [ 0, 0.2542303, -0.12731847 ], [ 0, -0.12731849, 0.32792374 ] ]
-24.473191
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00179281, 0.00232881 ], [ 0, 0.00179281, -0.00232881 ], [ 0, 0.00203723, -0.0001247 ], [ 0, 0, 0 ], [ 0, -0.00203723, 0.0001247 ], [ 0, 0.0000011, 0.00196772 ], [ 0, -0.0000011, -0.00196772 ], [ ...
-0.000005
3.416148
pbe
true
2adc5aade43d17330dd56db3387b8f44_12_Cs5Zn2Bi4
[ "Bi", "Cu", "Sr" ]
5
A3BC
BiCuSr3
Sr3 Cu1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 6.35649133, 0, 0 ], [ 0, 6.35649133, 0 ], [ 0, 0, 6.35649133 ] ]
agm002464795
[ [ 0, 3.178245665, 0 ], [ 0, 0, 3.178245665 ], [ 3.178245665, 0, 0 ], [ 0, 0, 0 ], [ 3.178245665, 3.178245665, 3.178245665 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Sr", "Bi", "Cu" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -0.46895742, 0, 0 ], [ 0, -0.46895742, 0 ], [ 0, 0, -0.46895742 ] ]
-12.623545
[ -0.001, 0, 0.001, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000417
3.978273
pbe
true
262fea9f471541411293df02d1d2977f_221_Sr3Cu1Bi1
[ "Cd", "Tc", "Zn" ]
4
A2BC
CdTc2Zn
Zn1 Cd1 Tc2
3
[ 1, 1, 1 ]
3
[ [ 4.55176423, 0, 0 ], [ 0, 2.69112818, 0.00076269 ], [ 0, 1.15124989, 5.17478096 ] ]
agm004130773
[ [ 2.275882115, 2.8817835525000004, 3.8816577375 ], [ 0, 0.027205130155768704, 0.0863058683195603 ], [ 0, 1.8939839048442313, 2.5014659566804394 ], [ 2.275882115, 0.9605945175000001, 1.2938859125 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Cd", "Tc", "Tc", "Zn" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 5.936774, 0, 0 ], [ 0, 5.9852867, 0.13503838 ], [ 0, 0.13503821, 5.8502464 ] ]
-21.43149
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0.0036086, -0.0021991 ], [ 0, -0.0036086, 0.0021991 ], [ 0, 0, 0 ] ]
-0.000001
3.89241
pbe
true
8e1d3f9ae4fabf0c4f88fe67553c2a53_10_Zn1Cd1Tc2
[ "Pm", "Sm", "Tm" ]
11
A5B3C3
Pm5Sm3Tm3
Pm5 Sm3 Tm3
3
[ 1, 1, 1 ]
3
[ [ 5.54115416, 0, 0 ], [ 0, 9.74395317, 0 ], [ 0, -4.87197659, 8.43851098 ] ]
agm003375514
[ [ 2.77057708, -5.205309950890279e-8, 5.625674014795037 ], [ 2.77057708, 4.871976632053099, 2.8128369652049634 ], [ 2.77057708, 1.3124204565248014, 2.2731789143290895 ], [ 2.77057708, -3.559556130781383, 6.16533206567091 ], [ 2.77057708, 7.11911...
[{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Sm", "Sm", "Sm", "Tm", "Tm", "Tm" ]
2023-11-16 06:57:59
[ 0.45454545454545453, 0.2727272727272727, 0.2727272727272727 ]
[ [ 1.1480219, 0, 0 ], [ 0, 1.109407, 0 ], [ 0, 0, 1.109407 ] ]
-42.909963
[ 0, 0, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00423294, 0.00733166 ], [ 0, 0.00423294, -0.00733166 ], [ 0, -0.00846587, 0 ], [ 0, -0.00257626, -0.00446222 ], [ 0, 0.00515253, 0 ], [ 0, -0.00257626, 0.00446...
0.005393
18.463205
pbe
true
54c4ea2bd99b1265d013c0920ae748e8_189_Pm5Sm3Tm3
[ "Li", "O", "P", "W" ]
32
A5BCD
LiO5PW
Li4 O20 P4 W4
4
[ 1, 1, 1 ]
3
[ [ 0, -5.45764924, 0 ], [ 8.11985326, -2.72882512, 6.41939185 ], [ -2.74448998, -2.72882512, 6.47020114 ] ]
mp-758385
[ [ -0.028404170000000173, -5.45764974, 6.4574988175 ], [ 1.3438408199999998, -4.09323718, 3.2223982475 ], [ 4.03152246, -6.8220623, 9.667194742500001 ], [ 5.403767449999999, -2.72882512, 6.4320941725 ], [ -0.02422872755983187, -1.331550864773653...
[{"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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "P", "P", "P", "P", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-13 19:04:42
[ 0.125, 0.625, 0.125, 0.125 ]
[]
-227.155975
[ -0.002, -0.002, -0.002, -0.002, 0.011, 0.011, 0.011, 0.011, 1.908, 1.922, 1.908, 1.922, 0.017, 0.008, -0.005, 0.015, 0.013, -0.005, 0.017, 0.008, 0.013, 0.013, 0.015, 0.015, 0.017, 0.008, 0.015, 0.013, -0.005, -0.005, 0.008, 0.017 ]
[]
7.888
3.614259
pbe
true
398df7314999dfb33859ffe64fbbe4a6_15_Li4P4W4O20
[ "Li", "O", "P", "W" ]
38
A13B4CD
LiO13P4W
Li2 O26 P8 W2
4
[ 1, 1, 1 ]
3
[ [ 5.24258497, -0.00159206, -0.09365102 ], [ 1.39351367, 7.97078546, -0.00364173 ], [ 1.26247511, 2.5503664, 13.72988571 ] ]
mp-757168
[ [ 4.815594428539998, 6.217380650227352, 13.64312908799623 ], [ 1.5516328254307408, 6.168527112068731, 7.0545672143142415 ], [ 1.939665993597874, 6.681191789163238, 1.750998454613387 ], [ 7.281226208861945, 8.675416404574737, 8.898787344213495 ], [ ...
[{"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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "P", "P", "P", "P", "P", "P", "P", "P", "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", "O", "O" ]
2014-05-30 18:08:51
[ 0.05263157894736842, 0.6842105263157895, 0.21052631578947367, 0.05263157894736842 ]
[]
-270.608299
[ 0, 0, 0.004, 0.004, 0.004, 0.005, 0.005, 0.003, 0.005, 0.004, 0.986, 0.988, 0.013, 0.005, -0.015, -0.001, -0.002, -0.001, 0.006, -0.016, 0.013, -0.001, 0.01, 0, 0.013, 0.013, 0, 0.01, -0.001, 0.012, -0.016, 0.004, -0.002, -0.002, -0.001, -0.014, ...
[]
2.053
-0.202433
pbe
true
6b3161e9978e43854cff96641b3dcd4e_1_Li2P8W2O26
[ "Li", "O", "P", "W" ]
40
A6B2CD
Li2O6PW
Li8 O24 P4 W4
4
[ 1, 1, 1 ]
3
[ [ 6.76967642, 5.05638378, 0.08831386 ], [ -6.76967642, 5.05638378, -0.08831386 ], [ -2.04423943, 0, 6.88863099 ] ]
mp-757392
[ [ -3.6857359061572077, 8.057640115795511, 6.2676296288977715 ], [ -2.6636161911572085, 2.0551274442044893, 2.823314133897772 ], [ -1.5331795725000001, 0.1025468002716948, 5.1664732425 ], [ -1.5331795725000001, 5.99249830125938, 5.1664732425 ], [ -0...
[{"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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "P", "P", "P", "P", "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" ]
2014-02-13 18:18:50
[ 0.2, 0.6, 0.1, 0.1 ]
[]
-272.539105
[ 0.002, 0.002, 0, 0, 0, 0, 0.002, 0.002, 0.004, 0.004, 0.004, 0.004, 1.003, 1.003, 1.003, 1.003, 0.001, 0.003, 0.001, 0.003, 0.034, 0.008, 0.034, -0.037, 0.008, 0, -0.037, 0, 0, -0.037, 0, 0.008, -0.037, 0.034, 0.008, 0.034, 0.003, 0.001, 0....
[]
4.072
2.008112
pbe
true
a52aa8324442cd5bd082765db31dbfc0_15_Li8P4W4O24
[ "Li", "O", "P", "W" ]
72
A12B3C2D
LiO12P3W2
Li4 O48 P12 W8
4
[ 1, 1, 1 ]
3
[ [ 8.67714993, 0, 0.04009657 ], [ 0, 8.99005464, 0 ], [ 0.14024798, 0, 12.31526133 ] ]
mp-757951
[ [ 1.7510249425925477, 6.4613370153908525, 10.153441296189815 ], [ 2.7979219924074528, 1.966309695390852, 8.339498983810186 ], [ 6.0194759175925485, 7.023744944609148, 4.015858916189814 ], [ 7.066372967407453, 2.528717624609148, 2.2019166038101856 ], [ ...
[{"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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Li", "Li", "Li", "Li", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "W", "W", "W", "W", "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",...
2014-02-13 18:37:01
[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]
[]
-527.328188
[ 0.001, 0.001, 0.001, 0.001, 0.012, 0.009, 0.014, 0.014, 0.009, 0.012, 0.012, 0.009, 0.014, 0.014, 0.009, 0.012, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 1.906, 0.007, 0.005, 0.006, 0.002, 0.024, 0.019, 0.017, 0.001, 0.017, 0.01, 0.005, 0....
[]
15.872
1.82311
pbe
true
a3786b3815aaf128617c794aae83c5fc_14_Li4P12W8O48
[ "Ta", "Te", "Zn" ]
3
ABC
TaTeZn
Ta1 Te1 Zn1
3
[ 1, 1, 1 ]
3
[ [ 2.293372, 1.324079, 3.745061 ], [ -2.293372, 1.324079, 3.745061 ], [ 0, -2.648158, 3.745061 ] ]
oqmd-4821326
[ [ -1.953882972487736e-17, -4.597593983732379e-18, 2.8087900000000032 ], [ 0, 0, 0 ], [ -2.839066924596832e-17, -3.492539882351188e-17, 8.426390000000005 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ta", "Te", "Zn" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 5.6138, 0, 0 ], [ 0, 5.6138, 0 ], [ 0, 0, 5.6138 ] ]
-13.9411
[ 0.314, -0.005, 0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.479988
null
pbe
true
743c75d682a8992faf2bc94f3c438dc4_216_Ta1Zn1Te1