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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ag",
"Au",
"Sn"
] | 11 | A5B4C2 | Ag5Au4Sn2 | Ag5 Sn2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
2.98304852,
0,
0
],
[
0,
6.93603552,
0.74472889
],
[
-1.49152426,
-0.96117642,
10.59276919
]
] | agm003362524 | [
[
-2.7690133330983712e-17,
5.990627382888224,
3.81144052677896
],
[
1.4915242599999998,
-0.015768282888224485,
7.526057553221039
],
[
1.463898557753538e-17,
1.6130718539700553,
1.9746259025699326
],
[
1.49152426,
0,
0
],
[
1.49152426,
4.3617872... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Sn",
"Sn",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.45454545454545453,
0.36363636363636365,
0.18181818181818182
] | [
[
6.2226524,
0,
0
],
[
0,
6.1768775,
-0.01224224
],
[
0,
-0.01224217,
6.087863
]
] | -34.978843 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00117201,
0.0024122
],
[
0,
0.00117201,
-0.0024122
],
[
0,
0.00431393,
0.00021948
],
[
0,
0,
0
],
[
0,
-0.00431393,
-0.00021948
],
[
0,
0.00159271,
-0.00544911
],
[
0,
-0.00159271,
0.00544911
],
[... | 0.000001 | 3.329146 | pbe | true | 3ab2492be9b8269fbc495882105ab689_12_Ag5Sn2Au4 |
[
"Ag",
"Au",
"Zr"
] | 5 | A3BC | Ag3AuZr | Zr1 Ag3 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
5.04912904,
0,
0
],
[
0,
5.04912904,
0
],
[
0,
0,
5.04912904
]
] | agm002629874 | [
[
0,
0,
0
],
[
2.52456452,
2.52456452,
2.52456452
],
[
0,
2.52456452,
0
],
[
0,
0,
2.52456452
],
[
2.52456452,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Zr",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
4.056941,
0,
0
],
[
0,
4.056941,
0
],
[
0,
0,
4.056941
]
] | -16.143432 | [
0.042,
1.168,
0.015,
0.008,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.082174 | 7.231945 | pbe | true | 3ee4bf126680630d7e467d0e9f822fa6_221_Zr1Ag3Au1 |
[
"Ag",
"B",
"Br"
] | 18 | A6B2C | Ag2BBr6 | Ag4 B2 Br12 | 3 | [
1,
1,
1
] | 3 | [
[
8.03047928,
0,
4.86373039
],
[
0,
8.77223075,
0
],
[
5.90997247,
0,
12.07644613
]
] | agm003492665 | [
[
12.966932474252369,
1.48222663625523,
15.949094363730632
],
[
7.943745150747631,
5.86834201125523,
9.46117041626937
],
[
5.996706599252369,
2.90388873874477,
7.479006103730631
],
[
0.9735192757476304,
7.290004113744771,
0.9910821562693686
],
[
4.... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Ag",
"Ag",
"Ag",
"B",
"B",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.6666666666666666
] | [
[
0.93626106,
0,
0.08082915
],
[
0,
0.91447437,
0
],
[
0.08082904,
0,
0.9680733
]
] | -47.305803 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0014558,
0.00041497,
-0.00351662
],
[
0.0014558,
0.00041497,
0.00351662
],
[
-0.0014558,
-0.00041497,
-0.00351662
],
[
0.0014558,
-0.00041497,
0.00351662
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00052807,
-0.002926... | 0 | 16.046606 | pbe | true | 95190f93ada7e7a8b33481df11dcb789_14_Ag4B2Br12 |
[
"Ag",
"B",
"In"
] | 5 | A3BC | Ag3BIn | In1 Ag3 B1 | 3 | [
1,
1,
1
] | 3 | [
[
4.47753527,
0,
0
],
[
0,
4.47753527,
0
],
[
0,
0,
4.47753527
]
] | agm002403322 | [
[
0,
0,
0
],
[
0,
2.238767635,
0
],
[
0,
0,
2.238767635
],
[
2.238767635,
0,
0
],
[
2.238767635,
2.238767635,
2.238767635
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ag", "attached": ... | [
"B",
"Ag",
"Ag",
"Ag",
"In"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.8733711,
0,
0
],
[
0,
3.8733711,
0
],
[
0,
0,
3.8733711
]
] | -15.861095 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.548878 | pbe | true | 05aec8a842b827a9c49fe875916e195d_221_In1Ag3B1 |
[
"Ag",
"Ba",
"Hg"
] | 5 | A3BC | AgBa3Hg | Ba3 Ag1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
6.53181085,
0,
0
],
[
0,
6.53181085,
0
],
[
0,
0,
6.53181085
]
] | agm002390674 | [
[
0,
0,
0
],
[
3.265905425,
3.265905425,
3.265905425
],
[
0,
3.265905425,
0
],
[
0,
0,
3.265905425
],
[
3.265905425,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ag", "attached"... | [
"Hg",
"Ag",
"Ba",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.89484906,
0,
0
],
[
0,
0.89484906,
0
],
[
0,
0,
0.89484906
]
] | -8.84599 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.582021 | pbe | true | 01528358615fb25c59270395c15cf55b_221_Ba3Ag1Hg1 |
[
"Ag",
"Ba",
"Si"
] | 4 | A2BC | AgBaSi2 | Ba1 Si2 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
4.71754955,
-0.00042464,
-0.01179728
],
[
3.01804553,
3.6258344,
-0.01179728
],
[
2.94523954,
1.38033339,
6.05870065
]
] | agm004363749 | [
[
5.322023123534065,
2.494250846577538,
1.8851080273222296
],
[
7.959437974777554,
3.7303172961263504,
4.469735073651976
],
[
7.435819202485604,
3.4849150236320057,
0.6578573991642716
],
[
3.0395666797503824,
1.4245413048607725,
2.016364014274516
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Ba",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2873657,
0.04568231,
0.02929412
],
[
0.04568231,
1.2113023,
0.01372916
],
[
0.02929426,
0.01372922,
1.1498349
]
] | -15.944352 | [
0,
0,
0,
0
] | [
[
-0.00140055,
-0.00065639,
-0.00153889
],
[
0.0019433,
0.00091076,
-0.00267576
],
[
-0.00145289,
-0.00068092,
0.00218238
],
[
0.00091014,
0.00042655,
0.00203227
]
] | 0 | 2.196984 | pbe | true | 038e3d7c2af76293850f059ab23bcf2d_8_Ba1Si2Ag1 |
[
"Ag",
"Be",
"Se"
] | 5 | A3BC | Ag3BeSe | Be1 Ag3 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.53487788,
0,
0
],
[
0,
4.53487788,
0
],
[
0,
0,
4.53487788
]
] | agm002422952 | [
[
0,
0,
0
],
[
2.26743894,
2.26743894,
2.26743894
],
[
0,
2.26743894,
0
],
[
0,
0,
2.26743894
],
[
2.26743894,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ag", "attached"... | [
"Be",
"Se",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.879206,
0,
0
],
[
0,
3.879206,
0
],
[
0,
0,
3.879206
]
] | -13.591596 | [
0,
0,
-0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.639172 | pbe | true | 5a9a2980c9b89470fa1407f6d1d6fdad_221_Be1Ag3Se1 |
[
"Ag",
"Bi",
"Li"
] | 10 | A2B2C | Ag2Bi2Li | Li2 Ag4 Bi4 | 3 | [
1,
1,
1
] | 3 | [
[
7.36725344,
0,
0
],
[
0,
7.36725344,
0
],
[
0,
0,
4.40526468
]
] | agm002989974 | [
[
1.2753273405725407,
4.95895406057254,
2.20263234
],
[
4.95895406057254,
6.091926099427459,
2.20263234
],
[
6.091926099427459,
2.408299379427459,
2.20263234
],
[
2.408299379427459,
1.2753273405725407,
2.20263234
],
[
2.6849582379055934,
6.3685... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ag", "attached"... | [
"Bi",
"Bi",
"Bi",
"Bi",
"Ag",
"Ag",
"Ag",
"Ag",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
2.2711022,
0,
0
],
[
0,
2.2711022,
0
],
[
0,
0,
2.8926828
]
] | -31.115127 | [
-0.001,
0.001,
0.001,
-0.001,
0,
0,
-0.001,
0.001,
0,
0
] | [
[
0.00072075,
0.00072075,
0
],
[
0.00072075,
-0.00072075,
0
],
[
-0.00072075,
-0.00072075,
0
],
[
-0.00072075,
0.00072075,
0
],
[
-0.0044706,
-0.0044706,
0
],
[
-0.0044706,
0.0044706,
0
],
[
0.0044706,
0.0044706,... | 0 | 4.030722 | pbe | true | 9705eb227247bea3685f0f465c982b4c_127_Li2Ag4Bi4 |
[
"Ag",
"Bi",
"Te"
] | 8 | A2BC | AgBi2Te | Ag2 Bi4 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
6.4566133,
0,
0
],
[
0,
6.4566133,
0
],
[
3.22830665,
3.22830665,
7.46601269
]
] | agm002787141 | [
[
0,
0,
0
],
[
6.4566133,
3.22830665,
3.733006345
],
[
4.598046750946357,
1.614153325,
1.8665031725
],
[
1.8585665490536432,
4.842459975,
1.8665031725
],
[
4.842459975,
5.0868731990536435,
5.5995095175000005
],
[
8.070766625,
7.... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached"... | [
"Te",
"Te",
"Bi",
"Bi",
"Bi",
"Bi",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.4347844,
0,
0
],
[
0,
0.4347844,
0
],
[
0,
0,
0.5755282
]
] | -25.461702 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01990981,
0,
0
],
[
-0.01990981,
0,
0
],
[
0,
-0.01990981,
0
],
[
0,
0.01990981,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.3217 | pbe | true | 47de0e84c0811635d6d606703d7d67aa_122_Ag2Bi4Te2 |
[
"Ag",
"Bi",
"Tl"
] | 3 | ABC | AgBiTl | Tl1 Ag1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
3.60169039,
0,
0
],
[
0,
5.18198983,
0
],
[
0,
-2.59099492,
4.48773484
]
] | agm001266598 | [
[
2.3979754955979553,
2.590994939243283,
1.495911598374217
],
[
0.5999900427676153,
-2.9243282547248674e-8,
2.9918232416257826
],
[
0.6037248516344296,
0,
0
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ag", "attached"... | [
"Tl",
"Bi",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.5423489,
0,
0
],
[
0,
3.4161153,
0
],
[
0,
0,
3.4161153
]
] | -8.868681 | [
0,
0,
0
] | [
[
0.00224331,
0,
0
],
[
-0.00146697,
0,
0
],
[
-0.00077634,
0,
0
]
] | -0.000001 | 1.069488 | pbe | true | a57bd29bd89f2c5efa2c6bd0be09ce9a_156_Tl1Ag1Bi1 |
[
"Ag",
"Br",
"Pt"
] | 4 | A2BC | AgBr2Pt | Ag1 Pt1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.48348635,
3.48348635
],
[
3.48348635,
0,
3.48348635
],
[
3.48348635,
3.48348635,
0
]
] | agm002648614 | [
[
1.741743175,
1.741743175,
1.741743175
],
[
5.2252295250000005,
5.2252295250000005,
5.2252295250000005
],
[
0,
0,
0
],
[
3.48348635,
3.48348635,
3.48348635
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached"... | [
"Br",
"Br",
"Ag",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.5751655,
0,
0
],
[
0,
2.5751655,
0
],
[
0,
0,
2.5751655
]
] | -10.294941 | [
0.154,
0.154,
0.032,
0.641
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.025567 | 1.755446 | pbe | true | e75a0110d39b230293175388a326c38c_225_Ag1Pt1Br2 |
[
"Ag",
"C",
"Na"
] | 5 | A3BC | AgC3Na | Na1 Ag1 C3 | 3 | [
1,
1,
1
] | 3 | [
[
4.31050445,
0,
0
],
[
0,
4.31050445,
0
],
[
0,
0,
4.31050445
]
] | agm002430054 | [
[
2.155252225,
2.155252225,
2.155252225
],
[
0,
2.155252225,
0
],
[
0,
0,
2.155252225
],
[
2.155252225,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Na",
"C",
"C",
"C",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-33.54757,
0,
0
],
[
0,
-33.54757,
0
],
[
0,
0,
-33.54757
]
] | -17.009886 | [
0,
-0.001,
0,
0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000038 | 2.753956 | pbe | true | 3b8ac183e538555e50949f88bc084fcd_221_Na1Ag1C3 |
[
"Ag",
"Ca",
"In"
] | 3 | ABC | AgCaIn | Ca1 In1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
5.06372588,
0,
0
],
[
2.53186294,
4.38531525,
0
],
[
2.53186294,
1.46177175,
4.13451487
]
] | agm004411434 | [
[
2.53186294,
1.46177175,
1.0336287175
],
[
5.06372588,
2.9235435,
2.067257435
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ag",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.8228457,
0,
0
],
[
0,
3.8228457,
0
],
[
0,
0,
3.8228457
]
] | -7.156166 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000046 | 3.258217 | pbe | true | 9fd7426cdcae4c4796380fe2125ef99d_216_Ca1In1Ag1 |
[
"Ag",
"Ca",
"Ir"
] | 8 | A2BC | AgCaIr2 | Ca2 Ag2 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
4.3424627,
0,
0
],
[
0,
4.3424627,
0
],
[
2.17123135,
2.17123135,
9.70049176
]
] | agm002811041 | [
[
2.17123135,
2.17123135,
0
],
[
2.17123135,
4.3424627,
4.85024588
],
[
3.8495669984999186,
1.085615675,
2.42512294
],
[
4.835358401500081,
3.2568470249999995,
2.42512294
],
[
3.256847025,
2.664127051500081,
7.275368820000001
],
[
5... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ca",
"Ir",
"Ir",
"Ir",
"Ir",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5619433,
0,
0
],
[
0,
3.5619433,
0
],
[
0,
0,
3.3628898
]
] | -42.531125 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02744327,
0,
0
],
[
0.02744327,
0,
0
],
[
0,
0.02744327,
0
],
[
0,
-0.02744327,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 7.65239 | pbe | true | b8e4fed50dacfc0a9bc585d9e97a4c24_122_Ca2Ag2Ir4 |
[
"Ag",
"Ca",
"Pb"
] | 10 | A2B2C | Ag2CaPb2 | Ca2 Ag4 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
5.12659782,
0,
0
],
[
0,
4.9305386,
1.46415674
],
[
0,
1.84464588,
11.27265312
]
] | agm003399378 | [
[
1.281649455,
3.200553323047939,
2.887477533439227
],
[
3.8449483649999996,
3.5746311569520617,
9.849332326560774
],
[
1.281649455,
4.155758875119939,
8.279877618990435
],
[
3.8449483649999996,
2.619425604880061,
4.4569322410095635
],
[
1.28164945... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ca",
"Ag",
"Ag",
"Ag",
"Ag",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
3.9048958,
0,
0
],
[
0,
2.4000106,
0.8661759
],
[
0,
0.866176,
3.1197562
]
] | -31.703042 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00317662,
0.00260517
],
[
0,
0.00317662,
-0.00260517
],
[
0,
0.00509422,
-0.00145595
],
[
0,
-0.00509422,
0.00145595
],
[
0,
-0.00181387,
0.00168844
],
[
0,
0.00181387,
-0.00168844
],
[
0,
-0.00058867,
... | 0 | 2.931898 | pbe | true | ebfb67217a8f9b77488223fb86f467a9_11_Ca2Ag4Pb4 |
[
"Ag",
"Ca",
"Pm"
] | 12 | ABC | AgCaPm | Ca4 Pm4 Ag4 | 3 | [
1,
1,
1
] | 3 | [
[
7.85982689,
0.33195941,
0
],
[
-2.67573672,
7.39780432,
0
],
[
-2.59204508,
-3.86488187,
6.94108623
]
] | agm001036062 | [
[
3.2609792662499997,
2.01543078375,
1.7352715575
],
[
-1.96495671875,
-0.0829898562500001,
5.2058146725
],
[
1.9649567262499996,
0.0829898487499997,
5.2058146725
],
[
1.9231109062499994,
5.71433294375,
1.7352715575
],
[
-3.3561232931681713,
5.... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ca",
"Ca",
"Ca",
"Ag",
"Ag",
"Ag",
"Ag",
"Pm",
"Pm",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.0373137,
0.00632117,
0
],
[
0.00632117,
2.0424995,
0
],
[
0,
0,
2.0365822
]
] | -38.855298 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00255908,
0.00171629,
0
],
[
-0.00255908,
0.00171629,
0
],
[
0.00255908,
-0.00171629,
0
],
[
0.00255908,
-0.00171629,
0
],
[
0,... | -0.000007 | 12.125333 | pbe | true | 233243bc88654c8780b6873955ba9d3d_70_Ca4Pm4Ag4 |
[
"Ag",
"Ca",
"Ta"
] | 6 | ABC | AgCaTa | Ca2 Ta2 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
9.64960728,
-0.03648314,
-0.00035259
],
[
-0.51038447,
3.12263268,
0.00002456
],
[
0.00013644,
0.00003023,
4.43586963
]
] | agm003053342 | [
[
0.5073550302580759,
1.9624261103565617,
0.5187925179016298
],
[
4.7150607329914465,
2.6463757459789634,
2.736957862920792
],
[
3.7474991374690707,
0.8873347632991122,
0.5193265359958629
],
[
1.985203518763695,
0.5988845606550532,
2.736902404820235
],
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ca",
"Ca",
"Ag",
"Ag",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.915701,
-0.9413886,
-0.06113253
],
[
-0.94138867,
8.187675,
0.15766491
],
[
-0.06113198,
0.15766457,
1.3941518
]
] | -32.088238 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.01618067,
-0.00445348,
-0.000507
],
[
0.01625661,
0.00458757,
0.00100437
],
[
0.00563142,
-0.00147132,
-0.00210795
],
[
-0.00501239,
0.00171193,
-0.00116409
],
[
0.01882523,
0.00281821,
0.00259932
],
[
-0.01952019,
-0.00319... | 0 | 4.634512 | pbe | true | ca96a648f234adee8589bcdc313734d6_63_Ca2Ta2Ag2 |
[
"Ag",
"Cd",
"Cs"
] | 19 | A12B5C2 | Ag2Cd5Cs12 | Cs12 Cd5 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
10.40916675,
-0.04470661,
1.82240897
],
[
1.73932895,
10.2629169,
1.82240895
],
[
0.04293311,
0.03611118,
11.04705797
]
] | agm005681220 | [
[
11.074940026287413,
9.315232797616625,
5.329774834848848
],
[
11.484058271709866,
6.736490843421009,
12.158104766278045
],
[
8.604419937436411,
10.16011057880456,
12.158104759635156
],
[
2.923469815187402,
6.062756666693168,
5.5793398652460215
],
[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.10526315789473684,
0.2631578947368421,
0.631578947368421
] | [
[
0.96955717,
0.00868731,
-0.00217335
],
[
0.00868731,
0.9665355,
-0.00182805
],
[
-0.00217335,
-0.00182804,
0.9397425
]
] | -19.977482 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0018334,
0.00154209,
-0.00059655
],
[
0.00091094,
-0.00112688,
0.0007126
],
[
-0.00095415,
0.00109054,
0.0007126
],
[
-0.00254323,
-0.00044378,
0.00362194
],
[
-0.00087294,
-0.00242959,
0.00362194
],
[
0.00137921,
0.00116006... | 0.000065 | 13.65946 | pbe | true | b0bba7d5cc643d3e00bc11565cb6f3a4_12_Cs12Cd5Ag2 |
[
"Ag",
"Cd",
"K"
] | 12 | A4BC | AgCdK4 | K8 Cd2 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
7.64786059,
1e-8,
-3.90125092
],
[
-1.99006661,
7.38440253,
-3.90125091
],
[
0.16942428,
0.22112831,
9.77904364
]
] | agm005804411 | [
[
1.548603858519973,
7.012089039802329,
-2.9476146949576534
],
[
5.637959227926725,
6.027194578895656,
-4.377910931873931
],
[
1.5236039867645412,
3.3198877734685794,
-0.47666001554018117
],
[
4.303614273235459,
4.285643076531421,
2.4532018255401806
],
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ag", "attached": ... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Cd",
"Cd",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
1.809129,
0.00168548,
0.00253133
],
[
0.00168548,
1.8100374,
0.00330387
],
[
0.00253133,
0.00330387,
1.8128004
]
] | -15.966805 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00164985,
0.00215334,
-0.00124426
],
[
0.0025933,
-0.00134743,
0.00060524
],
[
-0.00197582,
0.00215334,
0.00060524
],
[
0.00197582,
-0.00215334,
-0.00060524
],
[
-0.0025933,
0.00134743,
-0.00060524
],
[
-0.00164985,
-0.00215... | -0 | 7.728351 | pbe | true | 00267bd7e9a01317919c306dff6ed4da_140_K8Cd2Ag2 |
[
"Ag",
"Cd",
"Th"
] | 4 | A2BC | AgCdTh2 | Th2 Cd1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
5.36705225,
0,
0
],
[
2.68352612,
4.64800359,
0
],
[
2.68352612,
1.54933453,
4.38217981
]
] | agm002132933 | [
[
2.6835261225,
1.54933453,
1.0955449525
],
[
0,
0,
0
],
[
5.367052245,
3.09866906,
2.191089905
],
[
8.0505783675,
4.64800359,
3.2866348575
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Th",
"Th",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.966556,
0,
0
],
[
0,
3.966556,
0
],
[
0,
0,
3.966556
]
] | -18.686417 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.18862 | pbe | true | 98010ccbf4ce2d837aab809a2492b374_225_Th2Cd1Ag1 |
[
"Ag",
"Mo",
"Zr"
] | 3 | ABC | AgMoZr | Zr1 Ag1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.50190952,
0,
0
],
[
2.25095476,
3.89876801,
0
],
[
2.25095476,
1.29958934,
3.67579373
]
] | agm005260188 | [
[
0,
0,
0
],
[
4.50190952,
2.599178675,
1.837896865
],
[
6.75286428,
3.8987680125,
2.7568452975
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ag", "attached"... | [
"Mo",
"Zr",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.8137326,
0,
0
],
[
0,
4.8137326,
0
],
[
0,
0,
4.8137326
]
] | -19.361396 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000184 | 5.294392 | pbe | true | 931f76b945c7ec414fc44e14debcb827_216_Zr1Ag1Mo1 |
[
"Ag",
"Co",
"N"
] | 18 | A3B2C | AgCo2N3 | Co6 Ag3 N9 | 3 | [
1,
1,
1
] | 3 | [
[
1.42051773,
-2.46040888,
0
],
[
1.42051773,
2.46040888,
0
],
[
0,
0,
25.96710403
]
] | agm005232258 | [
[
0.5329234061064447,
-0.7692427274491704,
3.028995430300063
],
[
1.9083900129169413,
-0.07690384396998635,
20.340398203523744
],
[
1.820239770976614,
-1.6142623085808436,
11.684696687076382
],
[
1.9083900129169413,
0.0769038439699862,
5.626705826476258
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Ag",
"Ag",
"Ag",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.5
] | [
[
0.492465,
0,
0
],
[
0,
0.492465,
0
],
[
0,
0,
0.22251631
]
] | -116.282625 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00170611,
0.00136012,
-0.00066476
],
[
0.00032484,
-0.0021576,
-0.00066476
],
[
-0.00203095,
0.00079748,
-0.00066476
],
[
0.00032484,
0.0021576,
0.00066476
],
[
0.00170611,
-0.00136012,
0.00066476
],
[
-0.00203095,
-0.000797... | -0.000245 | 12.112235 | pbe | true | e2ecf97957a25ef7f530561b400f41be_152_Co6Ag3N9 |
[
"Ag",
"Co",
"Pt"
] | 4 | A2BC | Ag2CoPt | Co1 Ag2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.73652424,
-0.00483388,
0
],
[
-1.29426433,
2.41111347,
0
],
[
0,
0,
9.59742092
]
] | agm004281741 | [
[
0,
0,
0.10308973707008799
],
[
0,
0,
4.695620722929911
],
[
0.721129955,
1.203139795,
2.39935523
],
[
0.721129955,
1.203139795,
7.19806569
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Ag",
"Co",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
7.954814,
0.07010252,
0
],
[
0.07010252,
8.029757,
0
],
[
0,
0,
7.8281174
]
] | -17.833623 | [
-0.008,
-0.008,
1.837,
0.008
] | [
[
0,
0,
0.0095923
],
[
0,
0,
-0.0095923
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.771472 | 3.276326 | pbe | true | 441add47d639e17b4ef31d8f7925f405_65_Co1Ag2Pt1 |
[
"Ag",
"Co",
"Ta"
] | 4 | A2BC | AgCoTa2 | Ta2 Co1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.11335878,
0,
0
],
[
0,
3.11335878,
0
],
[
0,
0,
6.7213632
]
] | agm004289064 | [
[
0,
0,
3.504787156512576
],
[
1.55667939,
1.55667939,
5.232168626713152
],
[
0,
0,
6.433246051632384
],
[
1.55667939,
1.55667939,
1.6332060307146241
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Co",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.640145,
0,
0
],
[
0,
4.640145,
0
],
[
0,
0,
4.693555
]
] | -33.280899 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00082743
],
[
0,
0,
-0.01074408
],
[
0,
0,
0.00941866
],
[
0,
0,
0.00215285
]
] | 0.000003 | 2.049075 | pbe | true | d5230e10a547a0b17d64cf2a19abcff4_99_Ta2Co1Ag1 |
[
"Ag",
"Cr",
"La"
] | 5 | A2B2C | Ag2CrLa2 | La2 Cr1 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
3.84519722,
0,
0
],
[
0,
3.84519722,
0
],
[
1.92259861,
1.92259861,
9.0835649
]
] | agm002918371 | [
[
0,
0,
0
],
[
3.84519722,
1.92259861,
4.54178245
],
[
1.92259861,
3.84519722,
4.54178245
],
[
1.92259861,
1.92259861,
1.8115644154146802
],
[
3.84519722,
3.84519722,
7.272000484585321
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ag", "attached"... | [
"Cr",
"Ag",
"Ag",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
4.044398,
0,
0
],
[
0,
4.044398,
0
],
[
0,
0,
3.8922365
]
] | -24.069114 | [
3.498,
0.003,
0.003,
-0.097,
-0.097
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.0083786
],
[
0,
0,
-0.0083786
]
] | 3.449896 | 4.513232 | pbe | true | f7dfd81d9e107a276b9c062fb50e66b2_139_La2Cr1Ag2 |
[
"Ag",
"Cr",
"Mg"
] | 4 | A2BC | AgCr2Mg | Mg1 Cr2 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
9.4520617,
-0.15529226,
-0.09086171
],
[
9.03570229,
2.77878935,
-0.09086171
],
[
9.03570229,
1.2822069,
2.46695593
]
] | agm004310024 | [
[
20.64259971,
2.9292779925,
1.7139243825000001
],
[
0.026352067555123197,
0.0037394772281856,
0.0021879730143744003
],
[
13.735381072444877,
1.9491125177718143,
1.1404282819856257
],
[
6.880866569999999,
0.9764259975,
0.5713081275
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Cr",
"Cr",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.541983,
-0.04085808,
-0.02390611
],
[
-0.04085808,
3.8241115,
-0.00339239
],
[
-0.02390611,
-0.00339239,
3.8279245
]
] | -21.033933 | [
0.062,
3.366,
3.366,
-0.028
] | [
[
0,
0,
0
],
[
0.00742726,
0.00105396,
0.00061667
],
[
-0.00742726,
-0.00105396,
-0.00061667
],
[
0,
0,
0
]
] | 7.46699 | 5.421541 | pbe | true | 6b94bc1c9ca8e2496ee9a0241d83aa59_166_Mg1Cr2Ag1 |
[
"Ag",
"Cs",
"S"
] | 14 | A3B3C | AgCs3S3 | Cs6 Ag2 S6 | 3 | [
1,
1,
1
] | 3 | [
[
7.15846923,
0,
0
],
[
0,
9.95999216,
0.00000264
],
[
0,
-4.97999837,
8.62560491
]
] | agm003544831 | [
[
5.368851922499999,
4.010847716479111,
5.408083398434693
],
[
5.368851922499999,
3.27103064052881,
0.7694570413985355
],
[
5.368851922499999,
7.658107443592175,
2.4480698364227944
],
[
1.7896173075,
0.9691460735208892,
3.2175241515653075
],
[
1.78... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Ag",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] | [
[
0.37484702,
0,
0
],
[
0,
0.457873,
-2e-8
],
[
0,
2e-8,
0.457873
]
] | -44.321053 | [
0.01,
0.01,
0.01,
0.01,
0.01,
0.01,
0.335,
0.335,
0.324,
0.324,
0.324,
0.324,
0.324,
0.324
] | [
[
0,
0.00018961,
-0.00519972
],
[
0,
0.00440829,
0.00276407
],
[
0,
-0.0045979,
0.00243566
],
[
0,
-0.00018961,
0.00519972
],
[
0,
-0.00440829,
-0.00276407
],
[
0,
0.0045979,
-0.00243566
],
[
0,
0,
0
],
[... | 4.269965 | 3.301738 | pbe | true | 6bb3dcc38d9e3705d2fe2a93d3a4bc54_176_Cs6Ag2S6 |
[
"Ag",
"Cu",
"Dy"
] | 19 | A12B6C | AgCu6Dy12 | Dy12 Cu6 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
8.00002997,
0,
-2.82843727
],
[
-4.00001498,
6.92822927,
-2.82843828
],
[
0,
0,
8.48531382
]
] | agm006128907 | [
[
1.9308132338089599,
0.7302109776909697,
5.7547315085882
],
[
0.4215875017797601,
3.344266660972905,
-0.5962147726545891
],
[
3.5784274882202394,
3.583962609027095,
3.4246530426545885
],
[
2.0692017561910396,
6.198018292309031,
-2.9262932385881997
],
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached"... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Ag"
] | 2023-11-16 06:57:59 | [
0.05263157894736842,
0.3157894736842105,
0.631578947368421
] | [
[
-1.9198874,
0,
-1.6e-7
],
[
0,
-1.9198875,
0
],
[
-1.6e-7,
0,
-1.9198878
]
] | -85.619354 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0004018,
0.00009228,
0.00056823
],
[
0.00005328,
-0.00069593,
-0.00007534
],
[
-0.00005328,
0.00069593,
0.00007534
],
[
0.0004018,
-0.00009228,
-0.00056823
],
[
-0.00012098,
0.00039411,
-0.00056823
],
[
-0.00057606,
-0.0003... | -0.000032 | 15.060884 | pbe | true | db24af569be9484a5dc335a5563ba55e_204_Dy12Cu6Ag1 |
[
"Ag",
"Cu",
"I"
] | 5 | A3BC | AgCuI3 | Cu1 Ag1 I3 | 3 | [
1,
1,
1
] | 3 | [
[
5.69401293,
0,
0
],
[
0,
5.69401293,
0
],
[
0,
0,
5.69401293
]
] | agm002462824 | [
[
0,
2.847006465,
0
],
[
0,
0,
2.847006465
],
[
2.847006465,
0,
0
],
[
2.847006465,
2.847006465,
2.847006465
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": ... | [
"I",
"I",
"I",
"Cu",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-0.56363106,
0,
0
],
[
0,
-0.56363106,
0
],
[
0,
0,
-0.56363106
]
] | -9.134821 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.087507 | pbe | true | eea45da8a909b616e87732703140ed04_221_Cu1Ag1I3 |
[
"Ag",
"Cu",
"Se"
] | 6 | ABC | AgCuSe | Cu2 Ag2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
4.89747455,
0.02461655,
0
],
[
-2.46814712,
4.04266547,
0
],
[
0,
0,
18.95453395
]
] | agm2000061604 | [
[
0.6383083443994279,
2.47133640904892,
9.476449465950736
],
[
3.0870455947179574,
2.4836447244755746,
9.478084673594603
],
[
1.871321287535579,
0.23898861195010512,
11.024826200246945
],
[
4.320058513172636,
0.2512969678034145,
7.929707749753052
],
[
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached"... | [
"Cu",
"Cu",
"Ag",
"Ag",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.96623206,
0.0127193,
0
],
[
0.01271939,
-1.04236,
0
],
[
0,
0,
-1.4930681
]
] | -21.172258 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.01243564,
-0.00450575,
0.00029084
],
[
-0.01243564,
-0.00450575,
-0.00029084
],
[
0.00586759,
-0.0006589,
-0.00310948
],
[
0.00586759,
-0.0006589,
0.00310948
],
[
0.00656805,
0.00516465,
0.0023236
],
[
0.00656805,
0.0051646... | 0 | -0.015528 | pbe | true | 489edac77cddf673da21d96f6e2b4fd5_39_Cu2Ag2Se2 |
[
"Ag",
"Dy",
"S"
] | 15 | A8B6C | AgDy6S8 | Dy6 Ag1 S8 | 3 | [
1,
1,
1
] | 3 | [
[
6.73951666,
0,
3.8910612
],
[
2.24650522,
6.35407676,
3.8910622
],
[
0,
0,
7.7821234
]
] | agm006050927 | [
[
1.12325261,
3.17703838,
5.8365928
],
[
3.36975833,
0,
1.9455306
],
[
4.49301094,
3.17703838,
3.8910617
],
[
0,
0,
3.8910617
],
[
1.12325261,
3.17703838,
1.9455311
],
[
3.36975833,
0,
5.8365922999999995
],
[
0,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.4,
0.5333333333333333
] | [
[
0.5222031,
-3e-8,
-4e-8
],
[
-3e-8,
0.52220297,
5e-8
],
[
-4e-8,
5e-8,
0.522203
]
] | -91.067198 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00182357,
-0.00257892,
-0.00315852
],... | -0.000006 | 4.807601 | pbe | true | 01023e062473df2f5f9f7459a7e3e6f4_225_Dy6Ag1S8 |
[
"Ag",
"Er",
"Ni"
] | 16 | A5B2C | AgEr5Ni2 | Er10 Ni4 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
6.85020788,
0,
-3.23365919
],
[
-1.52645731,
6.6779688,
-3.23365817
],
[
-0.21893623,
-0.27462761,
8.4087996
]
] | agm005923143 | [
[
2.3601806367555573,
4.493582513661943,
2.146496484513119
],
[
3.912019104898138,
6.440166702152362,
-3.4386727425338175
],
[
0,
0,
0
],
[
2.661875285,
3.3389844,
-3.23365868
],
[
1.192795235101862,
-0.036825512152361024,
5.380154982533817... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ag", "attached"... | [
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Ni",
"Ni",
"Ni",
"Ni",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
-1.8697969,
0.04923963,
0.08315688
],
[
0.04923963,
-1.8472861,
0.10430944
],
[
0.08315688,
0.10430944,
-1.7328912
]
] | -79.803 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00165908,
-0.00182351,
-0.00324862
],
[
0.00140796,
0.0020237,
0.00324862
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00140796,
-0.0020237,
-0.00324862
],
[
-0.00145372,
-0.00182351,
-0.00334556
],
[
-0.00161332,
-0.0... | -0.000044 | 16.4634 | pbe | true | e3be93aa4dfad65367d5420a7cb0dc47_140_Er10Ni4Ag2 |
[
"Ag",
"Eu",
"H"
] | 80 | A12B5C3 | Ag5Eu3H12 | Eu12 Ag20 H48 | 3 | [
1,
1,
1
] | 3 | [
[
10.89344369,
0,
0
],
[
-3.6311479,
10.27043721,
0
],
[
-3.6311479,
-5.1352186,
8.89445953
]
] | agm001254446 | [
[
6.3545088175,
3.2095116287500005,
1.11180744125
],
[
6.35450881625,
7.0609255825,
1.11180744125
],
[
-0.9077869787500001,
4.4933162825,
5.55903720625
],
[
0.9077869725000001,
-0.6419023237499999,
3.3354223237500005
],
[
8.17008276625,
1.25000... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Eu",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",... | 2023-11-16 06:57:59 | [
0.25,
0.15,
0.6
] | [
[
11.567894,
0,
0
],
[
0,
11.567894,
0
],
[
0,
0,
11.567894
]
] | -350.112656 | [
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
6.703,
-0.021,
-0.03,
-0.03,
-0.021,
-0.03,
-0.03,
-0.021,
-0.021,
-0.021,
-0.021,
-0.021,
-0.03,
-0.03,
-0.03,
-0.021,
-0.021,
-0.03,
-0.021,
-0.021,
-0.021,
-0.015,
-0.015... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],... | 80.78375 | 125.80311 | pbe | true | 1fa1671a3a62bea4cb1056d8ee2e1a06_230_Eu12Ag20H48 |
[
"Ag",
"Fe",
"Pt"
] | 5 | A3BC | AgFePt3 | Fe1 Ag1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
4.85543478,
0,
0
],
[
0,
4.85543478,
0
],
[
0,
0,
4.85543478
]
] | agm002476135 | [
[
0,
0,
0
],
[
0,
2.42771739,
0
],
[
0,
0,
2.42771739
],
[
2.42771739,
0,
0
],
[
2.42771739,
2.42771739,
2.42771739
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Pt",
"Pt",
"Pt",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.7262146,
0,
0
],
[
0,
3.7262146,
0
],
[
0,
0,
3.7262146
]
] | -20.829416 | [
0.027,
0.146,
0.187,
0.187,
3.516
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.17345 | 10.913714 | pbe | true | 5fe754e371b3f7d3ac1eea3db67fec74_221_Fe1Ag1Pt3 |
[
"Ag",
"Ga",
"Pm"
] | 12 | A3B2C | Ag3Ga2Pm | Pm2 Ga4 Ag6 | 3 | [
1,
1,
1
] | 3 | [
[
4.31018945,
0,
0
],
[
-2.15509472,
8.30491283,
0.10825281
],
[
0,
-3.66853662,
6.77025936
]
] | agm003420503 | [
[
2.155096862108941,
2.4954439314337513,
6.400271445223541
],
[
-0.0000021321089408116237,
2.1409322785662472,
0.4782407247764595
],
[
4.835261660142442e-9,
4.988557733688099,
5.720019611549735
],
[
2.155094725164738,
-0.3521815236880994,
1.158492558450265... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached"... | [
"Pm",
"Pm",
"Ga",
"Ga",
"Ga",
"Ga",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
5.16364,
0,
0
],
[
0,
5.1632743,
-0.00896502
],
[
0,
-0.00896498,
5.4707522
]
] | -42.080865 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00192765,
0.00006997
],
[
0,
0.00192765,
-0.00006997
],
[
0,
-0.00096596,
-0.00486443
],
[
0,
0.00096596,
0.00486443
],
[
0,
-0.00101995,
0.00083592
],
[
0,
0.00101995,
-0.00083592
],
[
0,
0.00262747,
... | 0.000013 | 6.756801 | pbe | true | 58d0ab601701df69e5e661247324979c_12_Pm2Ga4Ag6 |
[
"Ag",
"Ge",
"Ho"
] | 80 | A12B5C3 | Ag5Ge3Ho12 | Ho48 Ag20 Ge12 | 3 | [
1,
1,
1
] | 3 | [
[
14.68825626,
0,
0
],
[
-4.89608542,
13.8482208,
0
],
[
-4.89608542,
-6.9241104,
11.99291101
]
] | agm001164608 | [
[
8.568149484999998,
4.327569,
1.49911387625
],
[
8.568149484999998,
9.5206518,
1.49911387625
],
[
-1.2240213550000012,
6.0585965999999996,
7.49556938125
],
[
1.2240213549999999,
-0.8655138,
4.49734162875
],
[
11.016192194999999,
0,
2.99822... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho"... | 2023-11-16 06:57:59 | [
0.25,
0.15,
0.6
] | [
[
1.5839797,
0,
0
],
[
0,
1.5839797,
0
],
[
0,
0,
1.5839797
]
] | -329.086313 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],... | 0.005308 | 87.11993 | pbe | true | 28dcbab1dc7ade9d3732bce27a5971dc_230_Ho48Ag20Ge12 |
[
"Ag",
"H",
"Tb"
] | 6 | ABC | AgHTb | Tb2 Ag2 H2 | 3 | [
1,
1,
1
] | 3 | [
[
4.56678163,
-0.28191322,
-1.55440802
],
[
0.14968439,
3.80475759,
-0.25072006
],
[
-9.52997879,
-2.82700513,
9.58738784
]
] | agm001032541 | [
[
-0.06604224188035208,
-0.7939925181052147,
2.484074262974935
],
[
-4.747470528119647,
1.489831758105215,
5.298185497025066
],
[
-0.7242160579575314,
1.0870979703119112,
1.5944966227004231
],
[
-4.089296712042468,
-0.39125873031191144,
6.187763137299577
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ag", "attached": ... | [
"H",
"H",
"Tb",
"Tb",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.3626857,
-0.0111041,
-0.24116287
],
[
-0.01110409,
4.900532,
0.04214176
],
[
-0.24116287,
0.04214204,
5.2888365
]
] | -23.605817 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00306753,
0.00079486,
-0.00404756
],
[
0.00306753,
-0.00079486,
0.00404756
],
[
0.00855484,
0.00025737,
0.00433957
],
[
-0.00855484,
-0.00025737,
-0.00433957
],
[
0.00236908,
0.0001128,
-0.00009372
],
[
-0.00236908,
-0.0001... | -0.000001 | 1.850011 | pbe | true | 0a448e64435c2d23a4b3a17517da26cd_11_Tb2Ag2H2 |
[
"Ag",
"Hg",
"Os"
] | 3 | ABC | AgHgOs | Ag1 Hg1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.48213623,
0,
0
],
[
2.24106812,
3.88164384,
0
],
[
2.24106812,
1.29388128,
3.65964891
]
] | agm003969283 | [
[
0,
0,
0
],
[
6.7232043525,
3.8816438399999997,
2.7447366825
],
[
4.482136235,
2.58776256,
1.829824455
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached"... | [
"Os",
"Hg",
"Ag"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.8689623,
0,
0
],
[
0,
7.8689623,
0
],
[
0,
0,
7.8689623
]
] | -10.091587 | [
1.79,
0.024,
0.017
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.941249 | 4.326238 | pbe | true | 563bd94d8009299d021c85a2fd3c4a9e_216_Ag1Hg1Os1 |
[
"Ag",
"Hf",
"Y"
] | 4 | A2BC | Ag2HfY | Y1 Hf1 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
3.45013601,
0,
0
],
[
0,
5.0331999,
0
],
[
0,
0,
5.0331999
]
] | agm001230913 | [
[
1.725068005,
0,
0
],
[
1.725068005,
2.51659995,
2.51659995
],
[
0,
0,
2.51659995
],
[
0,
2.51659995,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Hf",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.6847353,
0,
0
],
[
0,
2.679221,
0
],
[
0,
0,
2.679221
]
] | -22.319931 | [
0.116,
0.341,
0.025,
0.025
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.770617 | 4.434768 | pbe | true | 564a04768ce264f9b20d0361a769590c_123_Y1Hf1Ag2 |
[
"Ag",
"Hg",
"Sb"
] | 4 | A2BC | Ag2HgSb | Ag2 Hg1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.1405699,
0.04657169,
0
],
[
-0.04163514,
3.14063922,
0
],
[
0,
0,
8.97573266
]
] | agm004158189 | [
[
1.54946738,
1.593605455,
6.983139666334526
],
[
0,
0,
4.2022447838878305
],
[
0,
0,
0.18405143727299703
],
[
1.54946738,
1.593605455,
2.0941631025046474
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sb",
"Hg",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.53499,
-0.09985175,
0
],
[
-0.09985175,
4.52938,
0
],
[
0,
0,
4.052688
]
] | -9.659044 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00136019
],
[
0,
0,
-0.00360724
],
[
0,
0,
0.00260101
],
[
0,
0,
-0.00035395
]
] | 0 | 1.480905 | pbe | true | 1482bdb4206b1f3e8ef8ad3e4910737f_99_Ag2Hg1Sb1 |
[
"Ag",
"Ho",
"Li"
] | 12 | A6B5C | Ag5Ho6Li | Li1 Ho6 Ag5 | 3 | [
1,
1,
1
] | 3 | [
[
4.92353732,
0.02067356,
-1.43677288
],
[
-0.98854716,
6.33000762,
-3.29630062
],
[
-0.0814227,
0.51249485,
8.88279564
]
] | agm006095621 | [
[
3.4671044875433354,
4.024407649668772,
2.7845674411033947
],
[
3.9572400060388717,
0.8861012842771018,
4.418806230394436
],
[
1.643719230196417,
5.239476698453661,
5.708264535862504
],
[
2.2098482298035833,
1.6236993315463386,
-1.5585423958625049
],
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Li"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.5,
0.08333333333333333
] | [
[
2.7636738,
0.04419601,
0.01042101
],
[
0.04419601,
2.5998812,
0.1491881
],
[
0.01042101,
0.1491881,
2.7986445
]
] | -46.779202 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00023026,
0.00118367,
0.0008061
],
[
0.00040575,
0.00005992,
0.00139128
],
[
-0.00031476,
0.0020155,
-0.00104955
],
[
0.00031476,
-0.0020155,
0.00104955
],
[
-0.00040575,
-0.00005992,
-0.00139128
],
[
-0.00023026,
-0.0011836... | -0.000002 | 6.791474 | pbe | true | 4ef8ed8e76f9a6e712c7d5fea5030642_71_Li1Ho6Ag5 |
[
"Ag",
"Ho",
"Pd"
] | 8 | A4B3C | AgHo4Pd3 | Ho4 Ag1 Pd3 | 3 | [
1,
1,
1
] | 3 | [
[
3.70754483,
0,
0
],
[
0,
4.64695068,
0
],
[
0,
0,
10.54668931
]
] | agm003554083 | [
[
1.853772415,
2.32347534,
3.904963290338226
],
[
0,
2.32347534,
9.008966926836287
],
[
0,
0,
1.487027189789764
],
[
1.853772415,
0,
6.7187518666332835
],
[
1.853772415,
2.32347534,
0.8730667533738272
],
[
0,
2.32347534,
6.1... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ag",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.375
] | [
[
2.6395276,
0,
0
],
[
0,
2.4899912,
0
],
[
0,
0,
2.4827993
]
] | -42.941129 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00008133
],
[
0,
0,
-0.00157202
],
[
0,
0,
-0.00184408
],
[
0,
0,
0.00030307
],
[
0,
0,
-0.00223404
],
[
0,
0,
0.00295204
],
[
0,
0,
0.00079987
],
[
0,
0,
0.00167649
]
] | 0.000002 | 4.983425 | pbe | true | 56bcd2d5b78a52c919e6b7c9b17c5182_25_Ho4Ag1Pd3 |
[
"Ag",
"Ho",
"Sm"
] | 8 | A6BC | AgHo6Sm | Sm1 Ho6 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
9.2876678,
-0.00506922,
0.04351846
],
[
4.64973241,
6.98513238,
-0.3206789
],
[
4.62974235,
2.13652419,
3.6339115
]
] | agm003766627 | [
[
9.28357128,
4.558293675,
1.67837553
],
[
5.950332186627314,
4.623714551952177,
2.631026344471539
],
[
14.820146718528166,
8.17928269317318,
2.313684937464211
],
[
7.078424466245237,
1.9618892015484177,
0.4792919113240694
],
[
3.746995841471835,
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sm",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ag"
] | 2023-11-16 06:57:59 | [
0.125,
0.75,
0.125
] | [
[
0.71840495,
0.01005661,
-0.01809166
],
[
0.01005673,
0.7376967,
0.03853639
],
[
-0.01809186,
0.03853636,
0.7168067
]
] | -34.685496 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00030071,
-0.00312538,
-0.0019836
],
[
-0.00303103,
-0.00150286,
0.00281993
],
[
-0.00137386,
-0.00078576,
-0.00103401
],
[
0.00303103,
0.00150286,
-0.00281993
],
[
0.00030071,
0.00312538,
0.0019836
],
... | 0.000228 | 9.41972 | pbe | true | 83c3d1de1cd3b5e083ee2c7d447c315e_148_Sm1Ho6Ag1 |
[
"Ag",
"Ho",
"Tl"
] | 7 | A4B2C | Ag2Ho4Tl | Ho4 Tl1 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
4.91418298,
0,
0
],
[
2.45709149,
4.2558073,
0
],
[
2.45709148,
1.41860243,
9.68263086
]
] | agm003452356 | [
[
4.914185428501528,
2.8372062824057793,
8.317342630611188
],
[
2.457091486095051,
1.4186024320316837,
3.7810178725863053
],
[
7.371274463904949,
4.255807297968317,
5.901612987413694
],
[
4.914180521498471,
2.8372034475942205,
1.365288229388811
],
[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Tl",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
2.0493362,
0,
0
],
[
0,
2.0493362,
0
],
[
0,
0,
2.0515363
]
] | -26.615996 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00242686
],
[
0,
0,
0.00252014
],
[
0,
0,
-0.00252014
],
[
0,
0,
-0.00242686
],
[
0,
0,
0
],
[
0,
0,
0.0021959
],
[
0,
0,
-0.0021959
]
] | 0.000995 | 9.864407 | pbe | true | 095eccf6670de4bead154def995c4d29_166_Ho4Tl1Ag2 |
[
"Ag",
"I",
"In"
] | 7 | A4B2C | Ag2I4In | In1 Ag2 I4 | 3 | [
1,
1,
1
] | 3 | [
[
8.0379159,
0,
0
],
[
-0.00001355,
8.22336679,
0
],
[
0,
0,
17.70176115
]
] | agm2000069161 | [
[
8.037904769408474,
2.901323946900802,
10.444757592985077
],
[
4.018943859928315,
7.038909302615944,
8.815651946100163
],
[
-0.000010749197892500001,
7.0114000026280285,
8.53752293701703
],
[
6.046596803344726,
5.185564476271974,
9.08730405779612
],
[... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": ... | [
"In",
"Ag",
"Ag",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
0.36619622,
-6.1e-7,
0
],
[
-6.1e-7,
0.36916956,
0.00074858
],
[
0,
0.00074856,
-0.04744094
]
] | -15.521339 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
-1e-8,
0.0036954,
0.00591877
],
[
1e-8,
-0.0057014,
0.00321948
],
[
1e-8,
-0.00553419,
0.00118016
],
[
0.0014407,
-0.00041067,
-0.00211122
],
[
-0.0014407,
-0.00041067,
-0.00211122
],
[
-1e-8,
0.00446158,
-0.00600621
],
... | 0 | 2.090671 | pbe | true | fd2f77cf6b1a4c8ae7d1f4b88379142b_6_In1Ag2I4 |
[
"Ag",
"In",
"V"
] | 10 | A2B2C | AgIn2V2 | V4 In4 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
7.30017252,
0,
0
],
[
0,
7.30017252,
0
],
[
0,
0,
3.56861117
]
] | agm003025099 | [
[
1.444143415456739,
5.094229675456739,
1.784305585
],
[
5.094229675456739,
5.8560291045432615,
1.784305585
],
[
5.8560291045432615,
2.2059428445432614,
1.784305585
],
[
2.2059428445432614,
1.444143415456739,
1.784305585
],
[
0,
0,
0
],
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Ag", "attached": ... | [
"In",
"In",
"In",
"In",
"Ag",
"Ag",
"V",
"V",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
5.848933,
0,
0
],
[
0,
5.848933,
0
],
[
0,
0,
6.382285
]
] | -50.150418 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00053668,
0.00053668,
0
],
[
0.00053668,
-0.00053668,
0
],
[
-0.00053668,
-0.00053668,
0
],
[
-0.00053668,
0.00053668,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00951049,
0.00951049,
0
],
[
0.00951049,
... | -0.000031 | 7.925494 | pbe | true | 46d17b00fbccbb62ab4d411b9517d4cd_127_V4In4Ag2 |
[
"Ag",
"K",
"Pb"
] | 6 | A4BC | AgK4Pb | K4 Ag1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.99474795,
4.99474795
],
[
4.99474795,
0,
4.99474795
],
[
4.99474795,
4.99474795,
0
]
] | agm005449864 | [
[
3.746238675632061,
6.243257174420459,
6.243257174420459
],
[
6.243257174420459,
6.243257174420459,
3.746238675632061
],
[
6.243257174420459,
3.746238675632061,
6.243257174420459
],
[
3.746238675632061,
3.746238675632061,
3.746238675632061
],
[
0,... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ag", "attached": ... | [
"K",
"K",
"K",
"K",
"Ag",
"Pb"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
2.4473138,
0,
0
],
[
0,
2.4473138,
0
],
[
0,
0,
2.4473138
]
] | -8.921102 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00208293,
0.00208293,
0.00208293
],
[
0.00208293,
0.00208293,
-0.00208293
],
[
0.00208293,
-0.00208293,
0.00208293
],
[
-0.00208293,
-0.00208293,
-0.00208293
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000019 | 4.310814 | pbe | true | da912f4b9f6f19d375ddc525086e2c07_216_K4Ag1Pb1 |
[
"Ag",
"Mg",
"Pd"
] | 9 | A6B2C | Ag6MgPd2 | Mg1 Ag6 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.84389217,
0,
-1.14948268
],
[
-0.62997438,
6.1195853,
-2.10664572
],
[
-0.13161642,
0.12502439,
6.56163632
]
] | agm005674343 | [
[
1.606958895,
3.05979265,
-1.6280641999999999
],
[
0.8718398373275595,
5.230404500309584,
2.915448271150839
],
[
2.2104615326724404,
1.0142051896904152,
0.3900596488491613
],
[
2.1936715357963856,
5.168274345682073,
0.33391364157162834
],
[
0.2767... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached"... | [
"Mg",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
12.36677,
-0.4198594,
-1.7645942
],
[
-0.41985938,
4.4440002,
-1.4040174
],
[
-1.7645942,
-1.4040174,
6.9936175
]
] | -30.479853 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00104548,
0.00936984,
0.00349609
],
[
-0.00104548,
-0.00936984,
-0.00349609
],
[
-0.00207895,
-0.00062955,
-0.00695205
],
[
0.00071214,
-0.00196559,
0.0023814
],
[
0.00207895,
0.00062955,
0.00695205
],
[... | 0.000004 | 1.845402 | pbe | true | a593c6a1cc24baddb5fbabbd84a83537_12_Mg1Ag6Pd2 |
[
"Ag",
"Mg",
"Rh"
] | 10 | A2B2C | Ag2Mg2Rh | Mg4 Ag4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
6.98008693,
0,
0
],
[
0,
6.98008693,
0
],
[
0,
0,
3.63393606
]
] | agm002993651 | [
[
2.4394980827082042,
5.929541547708204,
0
],
[
5.929541547708204,
4.5405888472917955,
0
],
[
4.5405888472917955,
1.0505453822917958,
0
],
[
1.0505453822917958,
2.4394980827082042,
0
],
[
0,
0,
0
],
[
3.490043465,
3.490043465,
... | [{"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"]}, {"mass": null, "name": "Ag", "attached"... | [
"Mg",
"Mg",
"Mg",
"Mg",
"Rh",
"Rh",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
6.840863,
0,
0
],
[
0,
6.840863,
0
],
[
0,
0,
5.9118543
]
] | -32.402771 | [
0,
0,
0,
0,
0.002,
-0.002,
0.001,
-0.001,
0.002,
-0.002
] | [
[
-0.00217874,
-0.00217874,
0
],
[
-0.00217874,
0.00217874,
0
],
[
0.00217874,
0.00217874,
0
],
[
0.00217874,
-0.00217874,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00387221,
0.00387221,
0
],
[
0.00387221,
... | 0 | 5.246863 | pbe | true | b28d714888b57989f66ee0578c81abb8_127_Mg4Ag4Rh2 |
[
"Ag",
"Mn",
"Tc"
] | 3 | ABC | AgMnTc | Mn1 Tc1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
4.16322334,
0,
0
],
[
2.08161167,
3.60545718,
0
],
[
2.08161167,
1.20181906,
3.39925763
]
] | agm003898745 | [
[
4.16322334,
2.40363812,
1.699628815
],
[
6.24483501,
3.60545718,
2.5494432225
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Mn",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.8538074,
0,
0
],
[
0,
5.8538074,
0
],
[
0,
0,
5.8538074
]
] | -19.976517 | [
0.091,
2.806,
-1.027
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.895474 | 4.252117 | pbe | true | 49ee0cc788e3b257e5088d5fb969a42b_216_Mn1Tc1Ag1 |
[
"Ag",
"Mn",
"Zr"
] | 4 | A2BC | Ag2MnZr | Zr1 Mn1 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
5.07692249,
-0.02198798,
0.02993716
],
[
4.18708638,
2.87122502,
0.02993716
],
[
1.08056201,
0.33233747,
4.9888365
]
] | agm004274426 | [
[
1.1049550054904598,
0.33983977570682566,
4.9368265843799595
],
[
7.817926974974418,
2.4044803282285314,
3.7742375022199117
],
[
5.149654551741586,
1.5838269027271992,
2.5422629797151743
],
[
2.524881879628007,
0.7765522535064393,
1.3085756143953315
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Ag",
"Mn",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.755282,
0.03904588,
-0.02803959
],
[
0.03904588,
5.6403375,
-0.00862385
],
[
-0.0280395,
-0.00862383,
5.7687397
]
] | -22.711534 | [
-0.003,
-0.006,
3.501,
-0.381
] | [
[
0.00009497,
0.00002921,
0.00011279
],
[
0.00136481,
0.00041976,
-0.00008895
],
[
0.0038539,
0.0011853,
0.00007041
],
[
-0.00531368,
-0.00163427,
-0.00009425
]
] | 3.093934 | 3.766256 | pbe | true | a1a726114bae87bf29b349bd43448eaa_8_Zr1Mn1Ag2 |
[
"Ag",
"Mo",
"Os"
] | 10 | A2B2C | AgMo2Os2 | Ag2 Mo4 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
7.61787926,
0,
0
],
[
0,
7.61787926,
0
],
[
0,
0,
2.83017392
]
] | agm002997736 | [
[
1.2157554054772461,
5.024695035477246,
1.41508696
],
[
5.024695035477246,
6.4021238545227535,
1.41508696
],
[
6.4021238545227535,
2.5931842245227537,
1.41508696
],
[
2.5931842245227537,
1.2157554054772461,
1.41508696
],
[
2.7931470799003826,
... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached"... | [
"Mo",
"Mo",
"Mo",
"Mo",
"Os",
"Os",
"Os",
"Os",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
10.089714,
0,
0
],
[
0,
10.089714,
0
],
[
0,
0,
10.474328
]
] | -91.353498 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00292346,
0.00292346,
0
],
[
0.00292346,
-0.00292346,
0
],
[
-0.00292346,
-0.00292346,
0
],
[
-0.00292346,
0.00292346,
0
],
[
-0.00387116,
-0.00387116,
0
],
[
-0.00387116,
0.00387116,
0
],
[
0.00387116,
0.003... | 0.000004 | 7.176351 | pbe | true | c3c5aa461d2023513d825865f85308cf_127_Ag2Mo4Os4 |
[
"Ag",
"Na",
"Ta"
] | 5 | A3BC | Ag3NaTa | Na1 Ta1 Ag3 | 3 | [
1,
1,
1
] | 3 | [
[
4.71972571,
0,
0
],
[
0,
4.71972571,
0
],
[
0,
0,
4.71972571
]
] | agm002543172 | [
[
0,
0,
0
],
[
0,
2.359862855,
0
],
[
0,
0,
2.359862855
],
[
2.359862855,
0,
0
],
[
2.359862855,
2.359862855,
2.359862855
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached"... | [
"Na",
"Ag",
"Ag",
"Ag",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
4.9371448,
0,
0
],
[
0,
4.9371448,
0
],
[
0,
0,
4.9371448
]
] | -14.937779 | [
-0.01,
0.015,
0.018,
0.029,
1.338
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.173693 | 2.624754 | pbe | true | ff36f0d202b2f2077c4ec3c36f99097a_221_Na1Ta1Ag3 |
[
"Ag",
"Np",
"Pu"
] | 4 | A2BC | AgNpPu2 | Pu2 Np1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
3.66007434,
0,
0
],
[
1.83003717,
3.16971736,
0
],
[
1.83003717,
1.05657245,
8.59296206
]
] | agm002003336 | [
[
3.66007434,
2.113144905,
4.29648103
],
[
0,
0,
0
],
[
1.8300389817367984,
1.0565734971643455,
5.608755402852141
],
[
5.490109698263202,
3.1697163128356545,
2.9842066571478587
]
] | [{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ag", "attached"... | [
"Np",
"Ag",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.226029,
0,
0
],
[
0,
6.226029,
0
],
[
0,
0,
6.1475725
]
] | -41.640703 | [
-0.57,
0.008,
3.233,
3.233
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01880688
],
[
0,
0,
0.01880688
]
] | 6.011998 | 11.190805 | pbe | true | 05dbb3d22f70f4ccf3b7c5bee1a49982_166_Pu2Np1Ag1 |
[
"Ag",
"O",
"S"
] | 14 | A4B2C | Ag2O4S | Ag2 O4 S1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.440829074,
4.440829074
],
[
4.440829074,
0,
4.440829074
],
[
4.440829074,
4.440829074,
0
]
] | oqmd-5552356 | [
[
1.1102099999999984,
1.1102099999999984,
1.1102099999999984
],
[
1.1102099999999984,
3.330619999999997,
3.330619999999997
],
[
3.330619999999997,
1.1102099999999984,
3.330619999999997
],
[
3.330619999999997,
3.330619999999997,
1.1102099999999984
],
[
... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": n... | [
"Ag",
"Ag",
"Ag",
"Ag",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"S",
"S"
] | 2024-11-01 00:00:00 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
42.91537882,
0,
0
],
[
0,
42.91537882,
0
],
[
0,
0,
42.91537882
]
] | -70.217 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.024446,
-0.024446,
-0.024446
],
[
-0.024446,
0.024446,
0.024446
],
[
0.024446,
-0.024446,
0.024446
],
[
-0.024446,
-0.024446,
0.024446
... | null | null | pbe | true | ac504f6fd651f343cda290996c62608e_227_Ag4S2O8 |
[
"Ag",
"O",
"Pt"
] | 12 | A4BC | AgO4Pt | Ag2 Pt2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
4.6512913,
0,
0
],
[
0,
5.54453896,
0.35449289
],
[
0,
-1.86880929,
5.41701358
]
] | agm003742429 | [
[
0,
1.837864835,
2.885753235
],
[
2.32564565,
-0.934404645,
2.70850679
],
[
2.32564565,
2.77226948,
0.177246445
],
[
0,
0,
0
],
[
1.054619091281492,
4.028238941440202,
1.0733249928858717
],
[
1.271026558718508,
1.25596946144020... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Ag",
"Pt",
"Pt",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
0.8113267,
0,
0
],
[
0,
1.0199462,
-0.1321635
],
[
0,
-0.13216344,
1.030777
]
] | -59.235177 | [
-0.047,
-0.047,
-0.225,
-0.225,
-0.074,
-0.074,
-0.182,
-0.182,
-0.182,
-0.182,
-0.074,
-0.074
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00416999,
-0.00080994,
0.00318391
],
[
0.00416999,
-0.00080994,
0.00318391
],
[
-0.00035946,
-0.00199556,
-0.00473592
],
[
-0.00035946,
0.0... | -1.764061 | 8.145455 | pbe | true | 44a5d17b3960d7298f70f0e46973c4c9_14_Ag2Pt2O8 |
[
"Ag",
"O",
"Te"
] | 9 | A5B2C2 | Ag2O5Te2 | Ag2 O5 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
10.094342,
0,
0
],
[
0,
3.524682,
0
],
[
0,
0,
3.524682
]
] | oqmd-2054042 | [
[
2.7626299999999984,
1.7623399999999994,
1.7623399999999994
],
[
7.331720000000003,
1.7623399999999994,
1.7623399999999994
],
[
1.1943700000000044,
1.7623399999999994,
0
],
[
8.89997,
1.7623399999999994,
0
],
[
1.1943700000000044,
0,
1.762... | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": ... | [
"Ag",
"Ag",
"O",
"O",
"O",
"O",
"O",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
] | [
[
54.85337,
0,
0
],
[
0,
38.55479,
0
],
[
0,
0,
38.55479
]
] | -37.5712 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00844,
0,
0
],
[
0.00844,
0,
0
],
[
0.036552,
0,
0
],
[
-0.036552,
0,
0
],
[
0.036552,
0,
0
],
[
-0.036552,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | null | null | pbe | true | fb13af6d4fe1bef848c4ac9f16e0b4eb_123_Ag2Te2O5 |
[
"Ag",
"P",
"Se"
] | 4 | A2BC | AgPSe2 | Ag1 P1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
2.18024568,
0,
7.84431314
],
[
-1.09012284,
1.88814814,
7.84431314
],
[
-1.09012284,
-1.88814814,
7.84431314
]
] | agm002778946 | [
[
0,
0,
11.766469709999999
],
[
-9.381874673340464e-18,
-6.32022766750424e-18,
21.033140692982002
],
[
5.629757722867623e-18,
1.097699680447235e-17,
2.4997987270179984
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"Se",
"Se",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.9113579,
0,
0
],
[
0,
2.9113579,
0
],
[
0,
0,
1.6526217
]
] | -14.723964 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00046114
],
[
0,
0,
0.00046114
],
[
0,
0,
0
]
] | 0 | 0.000704 | pbe | true | 5ca668bada685c0e6b0e3787e34e7898_166_Ag1P1Se2 |
[
"Ag",
"P",
"S"
] | 4 | A2BC | AgP2S | Ag1 P2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.19040229,
3.19040229
],
[
3.19040229,
0,
3.19040229
],
[
3.19040229,
3.19040229,
0
]
] | agm002721063 | [
[
1.595201145,
1.595201145,
1.595201145
],
[
4.7856034350000005,
4.7856034350000005,
4.7856034350000005
],
[
0,
0,
0
],
[
3.19040229,
3.19040229,
3.19040229
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "P", "attached": n... | [
"P",
"P",
"S",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.8661375,
0,
0
],
[
0,
3.8661375,
0
],
[
0,
0,
3.8661375
]
] | -14.475373 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.248626 | pbe | true | 95b99865288bfd970f64225040ef76d4_225_Ag1P2S1 |
[
"Ag",
"Pb",
"S"
] | 12 | A6B5C | AgPb5S6 | Ag1 Pb5 S6 | 3 | [
1,
1,
1
] | 3 | [
[
7.19499067,
0.21543882,
0
],
[
2.23305986,
6.85734629,
0
],
[
1.11652993,
3.42867314,
6.22405162
]
] | agm003676789 | [
[
0,
0,
0
],
[
4.71402638152993,
3.536395980337957,
4.15167633039988
],
[
8.31152171652993,
3.6441153920053964,
2.0760306751165465
],
[
4.714025265,
3.536392555,
0
],
[
2.23305874347007,
6.8573428579946025,
4.148020944883453
],
[
5.... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.4166666666666667,
0.5
] | [
[
3.1374645,
-0.02627626,
0
],
[
-0.02627623,
3.1010187,
0
],
[
0,
0,
3.0737257
]
] | -50.965548 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00348435
],
[
0,
0,
-0.0018462
],
[
0,
0,
0
],
[
0,
0,
0.0018462
],
[
0,
0,
-0.00348435
],
[
-0.00061855,
0.00116515,
0.00095604
],
[
0.00061855,
-0.00116515,
0.00095604... | -0.000001 | 7.040718 | pbe | true | 80835b59336741746bbc0ebdd08b7411_12_Ag1Pb5S6 |
[
"Ag",
"Rb",
"S"
] | 20 | A3BC | AgRbS3 | Rb4 Ag4 S12 | 3 | [
1,
1,
1
] | 3 | [
[
4.98327416,
-0.000001,
0.41002792
],
[
-0.00000139,
10.14639956,
-0.00000116
],
[
-0.98327495,
-9.4e-7,
11.94685202
]
] | agm005890264 | [
[
2.8671331545435392,
8.187721820412916,
6.239850139101062
],
[
1.1328646654564596,
1.9586757995870852,
6.117028640898938
],
[
4.116139062111941,
3.1145223565516402,
0.3486164587553106
],
[
-0.11614124211194109,
7.03187526344836,
12.008262321244688
],
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Rb",
"Rb",
"Rb",
"Rb",
"Ag",
"Ag",
"Ag",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.2125112,
-3.9e-7,
0.02408924
],
[
-3.9e-7,
1.1267625,
-2.3e-7
],
[
0.02408925,
-2.3e-7,
1.0556673
]
] | -72.142205 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0003589,
0.00069261,
-0.00089923
],
[
-0.0003589,
-0.00069261,
0.00089923
],
[
-0.0003589,
0.00069261,
0.00089923
],
[
0.0003589,
-0.00069261,
-0.00089923
],
[
-0.00160083,
-0.00264994,
0.00109175
],
[
0.00160083,
0.00264994... | -0 | 5.772385 | pbe | true | 259b0cf08cefd219bd6c433d620c75d8_14_Rb4Ag4S12 |
[
"Ag",
"Rb",
"Sr"
] | 5 | A2B2C | Ag2RbSr2 | Rb1 Sr2 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
5.4993377,
0,
0
],
[
0,
5.4993377,
0
],
[
2.74966885,
2.74966885,
6.65222128
]
] | agm002941335 | [
[
5.4993377,
2.74966885,
3.32611064
],
[
2.74966885,
5.4993377,
3.32611064
],
[
0,
0,
0
],
[
2.7496688225033115,
2.7496688225033115,
1.428028284322619
],
[
5.499337727496688,
5.499337727496688,
5.224192995677381
]
] | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sr",
"Sr",
"Rb",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.4131907,
0,
0
],
[
0,
1.4131907,
0
],
[
0,
0,
1.5010914
]
] | -10.284648 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.0020998
],
[
0,
0,
-0.0020998
]
] | 0 | 3.156724 | pbe | true | f6a3ee170e2332e55861566d1c4fda2b_139_Rb1Sr2Ag2 |
[
"Ag",
"Re",
"Se"
] | 5 | A3BC | AgRe3Se | Re3 Ag1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.806154,
0,
0
],
[
0,
4.806154,
0
],
[
0,
0,
4.806154
]
] | agm002595757 | [
[
0,
2.403077,
0
],
[
0,
0,
2.403077
],
[
2.403077,
0,
0
],
[
2.403077,
2.403077,
2.403077
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached"... | [
"Re",
"Re",
"Re",
"Se",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
6.229159,
0,
0
],
[
0,
6.229159,
0
],
[
0,
0,
6.229159
]
] | -27.675746 | [
1.107,
1.398,
0.943,
-0.118,
0.136
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.958287 | 7.169337 | pbe | true | 4929086a49ce855190517ca6c4c0d36c_221_Re3Ag1Se1 |
[
"Ag",
"Rh",
"Si"
] | 4 | A2BC | AgRhSi2 | Si2 Ag1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.10235429,
-0.19097829,
1.0502554
],
[
3.04360283,
2.75722057,
1.0502554
],
[
1.61667785,
0.58057822,
5.72476142
]
] | agm004328297 | [
[
4.759440810022263,
1.7092011660687283,
3.9382698059729786
],
[
2.1918243989960793,
0.7871237328811885,
0.7499249758581443
],
[
7.063493108468602,
2.5366279642771223,
3.147460116514567
],
[
6.275151273679834,
2.253520172578743,
6.002764288901924
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ag", "attached"... | [
"Ag",
"Rh",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.1141124,
-0.05933981,
-0.08707043
],
[
-0.05933981,
6.25804,
-0.03126856
],
[
-0.08707033,
-0.03126853,
6.2412496
]
] | -21.726137 | [
0,
0,
0,
0
] | [
[
0.00159361,
0.00057229,
0.00137586
],
[
-0.00280311,
-0.00100665,
-0.00060038
],
[
0.00070299,
0.00025246,
-0.00862475
],
[
0.00050651,
0.0001819,
0.00784927
]
] | 0 | 1.028347 | pbe | true | 5fb5d075f1016df9264d94ca89c2ca95_8_Si2Ag1Rh1 |
[
"Ag",
"S",
"Tl"
] | 6 | ABC | AgSTl | Tl2 Ag2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
8.25777653,
-3e-8,
0
],
[
5.2e-7,
5.36043887,
0
],
[
0,
0,
15.00000015
]
] | agm2000068585 | [
[
1.5195513872878366,
1.9582486666692243,
7.500000075
],
[
5.648439912287851,
4.638468247482391,
7.500000075
],
[
4.386978406454439,
1.9582488170652024,
7.500000075
],
[
0.25809048403222135,
4.638468427878368,
7.499999924999998
],
[
6.9509967139559... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Tl",
"Tl",
"Ag",
"Ag",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.9879065,
9e-8,
0
],
[
9e-8,
0.91632515,
0
],
[
0,
0,
-0.15798149
]
] | -17.498603 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00281595,
0,
0
],
[
0.00281595,
0,
0
],
[
-0.0018046,
0,
0
],
[
-0.0018046,
0,
0
],
[
-0.00101135,
0,
0
],
[
-0.00101135,
0,
0
]
] | 0 | -0.059868 | pbe | true | bd51a3c44f9182d497826e1736f054dd_38_Tl2Ag2S2 |
[
"Ag",
"Sb",
"Sn"
] | 5 | A2B2C | AgSb2Sn2 | Ag1 Sn2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.22316543,
0,
0
],
[
0,
4.22316543,
0
],
[
2.11158271,
2.11158271,
7.97350778
]
] | agm002907424 | [
[
2.111582735226844,
2.111582735226844,
1.4176626530926257
],
[
4.223165404773155,
4.223165404773155,
6.555845126907374
],
[
4.2231654275,
2.1115827124999997,
3.98675389
],
[
2.1115827124999997,
4.2231654275,
3.98675389
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sb",
"Sb",
"Sn",
"Sn",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.1687708,
0,
0
],
[
0,
3.1687708,
0
],
[
0,
0,
2.6759899
]
] | -17.657962 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0.01015129
],
[
0,
0,
-0.01015129
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.741776 | pbe | true | cd0789fa2ae6c5a2c7bb77a4f17c0a7c_139_Ag1Sn2Sb2 |
[
"Ag",
"Sb",
"Ta"
] | 3 | ABC | AgSbTa | Ta1 Ag1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.59755154,
0,
0
],
[
2.29877577,
3.98159643,
0
],
[
2.29877577,
1.32719881,
3.75388511
]
] | agm003975831 | [
[
0,
0,
0
],
[
6.89632731,
3.98159643,
2.8154138325
],
[
4.59755154,
2.65439762,
1.876942555
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached"... | [
"Sb",
"Ag",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.6168034,
0,
0
],
[
0,
2.6168034,
0
],
[
0,
0,
2.6168034
]
] | -15.944314 | [
-0.005,
0.1,
1.219
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.857982 | 4.546501 | pbe | true | 77e58043880285a3edb9bea08e9efeea_216_Ta1Ag1Sb1 |
[
"Ag",
"Si",
"Zr"
] | 8 | A2BC | AgSi2Zr | Zr2 Si4 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
4.03805455,
0,
0
],
[
0,
3.60492265,
0.01802235
],
[
0,
-1.76450288,
9.54462902
]
] | agm002240784 | [
[
1.0095136375,
-0.004935514682232403,
0.6035530566312766
],
[
3.0285409125,
1.8453552846822319,
8.959098313368724
],
[
1.0095136375,
0.020373056350105764,
2.905804053058261
],
[
3.0285409125,
1.8200467136498941,
6.6568473169417395
],
[
1.009513637... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ag", "attached"... | [
"Si",
"Si",
"Si",
"Si",
"Zr",
"Zr",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.9261532,
0,
0
],
[
0,
6.08775,
-0.1984338
],
[
0,
-0.19843364,
-0.86200476
]
] | -46.432435 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.01315254,
0.00042001
],
[
0,
0.01315254,
-0.00042001
],
[
0,
-0.0018629,
-0.041371
],
[
0,
0.0018629,
0.041371
],
[
0,
0.00258134,
0.00718538
],
[
0,
-0.00258134,
-0.00718538
],
[
0,
0.00256056,
0.014... | 0 | 3.581505 | pbe | true | 4233a053b0d499cb81eff6db1ddd6c78_11_Zr2Si4Ag2 |
[
"Ag",
"Ta",
"Y"
] | 4 | A2BC | AgTa2Y | Y1 Ta2 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
10.115495,
0.02829554,
0.01660957
],
[
9.62930483,
3.09847191,
0.01660957
],
[
9.62930483,
1.52488742,
2.69731763
]
] | agm003932446 | [
[
21.8657765495103,
3.4626432754346084,
2.0325830374787537
],
[
29.346458046435053,
4.647276778952905,
2.7279668160974437
],
[
7.49639840536413,
1.1871224179730384,
0.6968447796228464
],
[
14.726628942431558,
2.3320947491559973,
1.3689473191063242
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Ta",
"Ta",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.623778,
0.03398121,
0.01994708
],
[
0.03398121,
3.414576,
0.0031588
],
[
0.01994708,
0.0031588,
3.4110491
]
] | -31.552624 | [
0,
0,
0,
0
] | [
[
-0.00164754,
-0.0002609,
-0.00015315
],
[
-0.00376377,
-0.00059603,
-0.00034987
],
[
0.01356685,
0.00214843,
0.00126114
],
[
-0.00815555,
-0.0012915,
-0.00075812
]
] | -0.000005 | 3.046657 | pbe | true | 1b39c8503a454b4d1849749a76cbce68_160_Y1Ta2Ag1 |
[
"Ag",
"Te",
"Tl"
] | 10 | A5B4C | Ag5Te4Tl | Tl1 Ag5 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
4.37629097,
-0.00198199,
-0.00031509
],
[
-2.19090568,
8.07019722,
-3.52073412
],
[
-0.00036638,
-0.74397498,
8.40952745
]
] | agm006025163 | [
[
2.188145485,
-0.000990995,
-0.000157545
],
[
0.002436530904033249,
2.623347734659885,
2.111524152716986
],
[
0.00156502703044151,
2.2209879738150407,
6.79835029070852
],
[
2.1834538829695584,
5.10325227618496,
-1.9098720507085192
],
[
2.187962295... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached"... | [
"Tl",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
2.7106078,
0.00120523,
0.00139552
],
[
0.0012051,
2.6528769,
-0.09099461
],
[
0.00139558,
-0.09099464,
2.8167784
]
] | -29.745692 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00280506,
0.00278922,
0.00175417
],
[
-0.00206113,
0.00072172,
0.00110959
],
[
0.00206113,
-0.00072172,
-0.00110959
],
[
0,
0,
0
],
[
0.00280506,
-0.00278922,
-0.00175417
],
[
0.00023063,
0.0041... | 0 | 6.350235 | pbe | true | f8c3ae33118b4a9b367cbbdef38534be_12_Tl1Ag5Te4 |
[
"Ag",
"Tl",
"Y"
] | 4 | A2BC | AgTlY2 | Y2 Tl1 Ag1 | 3 | [
1,
1,
1
] | 3 | [
[
9.94396658,
-0.0036444,
-0.00215329
],
[
9.26893419,
3.60129749,
-0.00215329
],
[
9.26893419,
1.73562598,
3.15546363
]
] | agm003930103 | [
[
14.315698246597579,
2.6806423791950293,
1.583852076904198
],
[
6.871854758733289,
1.2867681878047144,
0.7602843566775045
],
[
28.350367651736583,
5.308661560470322,
3.136611844753898
],
[
21.66666731256925,
4.057125654195516,
2.39714440968754
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Ag", "attached": ... | [
"Ag",
"Tl",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.0204396,
-0.009444,
-0.00557997
],
[
-0.009444,
3.069106,
-0.00104486
],
[
-0.00557997,
-0.00104486,
3.070257
]
] | -18.306892 | [
0,
-0.007,
0.194,
0.135
] | [
[
-0.00050333,
-0.00009425,
-0.00005569
],
[
-0.0134193,
-0.00251279,
-0.00148468
],
[
0.00494732,
0.0009264,
0.00054736
],
[
0.00897531,
0.00168064,
0.00099301
]
] | 0.663126 | 3.158207 | pbe | true | bb678942c5aadad73f0c0d61e3b54c4a_160_Y2Tl1Ag1 |
[
"Al",
"Fe",
"Ni"
] | 3 | ABC | AlFeNi | Al1 Fe1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
3.92030372,
0,
0
],
[
1.96015186,
3.39508262,
0
],
[
1.96015186,
1.13169421,
3.20091459
]
] | agm004168494 | [
[
3.92030372,
2.263388415,
1.600457295
],
[
0,
0,
0
],
[
5.8804555800000005,
3.3950826225000004,
2.4006859425
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached"... | [
"Ni",
"Fe",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-2.0500731,
0,
0
],
[
0,
-2.0500731,
0
],
[
0,
0,
-2.0500731
]
] | -17.16567 | [
0.111,
2.182,
-0.067
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.105807 | 5.194334 | pbe | true | a9d0af292369220d3c1de24f3d4b8cf1_216_Al1Fe1Ni1 |
[
"Al",
"Au",
"Zn"
] | 13 | A8B3C2 | Al2Au8Zn3 | Al2 Zn3 Au8 | 3 | [
1,
1,
1
] | 3 | [
[
4.55810454,
-0.00001471,
-0.00001134
],
[
0.00001139,
6.50336539,
-3.5507093
],
[
-0.00004409,
0.03104723,
7.78789878
]
] | agm005642469 | [
[
2.279039648684903,
1.4688139742427666,
2.6902409427208474
],
[
2.2790321913150975,
5.065583935757233,
1.5469371972791524
],
[
2.27905227,
-0.000007355,
-0.00000567
],
[
4.55810809553919,
2.0300968360126097,
-1.108412223879039
],
[
-0.000036255539... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached"... | [
"Al",
"Al",
"Zn",
"Zn",
"Zn",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.6153846153846154,
0.23076923076923078
] | [
[
5.2871623,
-0.00002392,
-0.00004131
],
[
-0.00002392,
4.8904934,
0.05732692
],
[
-0.00004131,
0.05732692,
4.9641933
]
] | -40.367696 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
2e-8,
-0.00190483,
-0.00348882
],
[
-2e-8,
0.00190483,
0.00348882
],
[
0,
0,
0
],
[
0,
-0.00080822,
0.00044127
],
[
0,
0.00080822,
-0.00044127
],
[
-3e-8,
0.00221112,
0.00404981
],
[
3e-8,
-0.00221112,
-0.0... | 0 | 3.758449 | pbe | true | 3fc77eb7d915a0be81483b7e4d3d0873_65_Al2Zn3Au8 |
[
"Al",
"B",
"Hg"
] | 6 | ABC | AlBHg | Al2 Hg2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
9.35677441,
0.01308792,
0.07722856
],
[
-0.00425779,
3.06434676,
0.00122985
],
[
-0.98941644,
-0.00290663,
3.70066087
]
] | agm003036455 | [
[
0.39822705285607163,
2.1054254439346853,
0.5181429892784648
],
[
-0.3183223781334716,
0.5711411681550703,
3.5384222969870454
],
[
3.4223964147725328,
2.1077367093283836,
2.7966928684632393
],
[
6.0142432278144655,
0.579798267432349,
1.3375718740111937
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached":... | [
"B",
"B",
"Hg",
"Hg",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.49688798,
-0.01618442,
0.130453
],
[
-0.01618448,
0.0523492,
0.02364381
],
[
0.130453,
0.02364383,
0.16837168
]
] | -20.833702 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00019887,
0.0024686,
0.00196753
],
[
0.00024914,
-0.00313663,
-0.00192192
],
[
0.00295324,
0.0008765,
0.00180601
],
[
-0.00302948,
0.00066555,
-0.00214231
],
[
0.00020777,
-0.00059635,
-0.00267813
],
[
-0.00018179,
-0.00027... | 0.000001 | 1.846254 | pbe | true | d748589a3de7751a7ee724dbd8221d8c_11_Al2Hg2B2 |
[
"Al",
"B",
"Mo"
] | 4 | A2BC | AlB2Mo | Al1 B2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.76815504,
2.76815504
],
[
2.76815504,
0,
2.76815504
],
[
2.76815504,
2.76815504,
0
]
] | agm002637745 | [
[
2.76815504,
2.76815504,
2.76815504
],
[
1.38407752,
1.38407752,
1.38407752
],
[
4.15223256,
4.15223256,
4.15223256
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached":... | [
"Mo",
"B",
"B",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-5.0697284,
0,
0
],
[
0,
-5.0697284,
0
],
[
0,
0,
-5.0697284
]
] | -25.477149 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.447193 | pbe | true | 6b6ed19fc46debdb9e6592913033cb7f_225_Al1B2Mo1 |
[
"Al",
"B",
"Te"
] | 8 | A2BC | Al2BTe | Al4 B2 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
5.48199458,
0,
0
],
[
0,
5.48199458,
0
],
[
2.74099729,
2.74099729,
5.63841043
]
] | agm002797626 | [
[
2.74099729,
2.74099729,
0
],
[
2.74099729,
5.48199458,
2.819205215
],
[
0,
0,
0
],
[
5.48199458,
2.74099729,
2.819205215
],
[
3.5402104821449205,
1.370498645,
1.4096026075
],
[
1.9417840978550793,
4.111495935,
1.4096026075... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "B", "attached":... | [
"B",
"B",
"Te",
"Te",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.535619,
0,
0
],
[
0,
1.535619,
0
],
[
0,
0,
-2.0480056
]
] | -33.564154 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0039248,
0,
0
],
[
-0.0039248,
0,
0
],
[
0,
-0.0039248,
0
],
[
0,
0.0039248,
0
]
] | 0 | 4.499396 | pbe | true | 17cb111440801f6026648220c2a3daa3_122_Al4B2Te2 |
[
"Al",
"Ba",
"Pu"
] | 6 | ABC | AlBaPu | Ba2 Pu2 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
4.51950201,
0,
0
],
[
0,
3.84279433,
0
],
[
-2.25975101,
0,
11.6306578
]
] | agm001068145 | [
[
-4.490526864518706e-9,
2.8820957474999997,
10.445555877892652
],
[
2.2597510044905267,
0.9606985825,
1.185101922107348
],
[
2.25975102430993,
2.8820957474999997,
7.647343710331378
],
[
-2.4309929992005255e-8,
0.9606985825,
3.9833140896686223
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached"... | [
"Al",
"Al",
"Ba",
"Ba",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.4330614,
0,
0
],
[
0,
1.6484926,
0
],
[
0,
0,
1.5319529
]
] | -38.861956 | [
-0.013,
-0.013,
0.054,
0.054,
1.311,
1.311
] | [
[
0,
0,
0.00054421
],
[
0,
0,
-0.00054421
],
[
0,
0,
0.00179638
],
[
0,
0,
-0.00179638
],
[
0,
0,
0.01772605
],
[
0,
0,
-0.01772605
]
] | 2.94852 | 10.209912 | pbe | true | 8289cf9fa5084b23de8a834448fb3113_63_Ba2Pu2Al2 |
[
"Al",
"Be",
"Hf"
] | 3 | ABC | AlBeHf | Hf1 Be1 Al1 | 3 | [
1,
1,
1
] | 3 | [
[
3.17779235,
0,
0
],
[
0,
4.09958997,
0
],
[
0,
-2.04979498,
3.55034906
]
] | agm001272364 | [
[
0.530226157205807,
-1.7164616657276056e-8,
2.36689938516783
],
[
2.1182440539561136,
2.049795007164617,
1.1834496748321697
],
[
0.529322138838079,
0,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached"... | [
"Be",
"Hf",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-16.369823,
0,
0
],
[
0,
7.9380956,
0
],
[
0,
0,
7.9380956
]
] | -18.404668 | [
0,
0,
0
] | [
[
-0.00202372,
0,
0
],
[
0.00166829,
0,
0
],
[
0.00035542,
0,
0
]
] | 0.000028 | 0.791954 | pbe | true | 27e9e01197014016a87864f0bcfd58af_187_Hf1Be1Al1 |
[
"Al",
"Be",
"Hg"
] | 6 | ABC | AlBeHg | Be2 Al2 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
4.71339936,
0,
0.00171741
],
[
0,
3.89677928,
0
],
[
-1.72762906,
0,
5.7220146
]
] | agm002035221 | [
[
2.8930548749214173,
0.97419482,
0.0963255726947385
],
[
0.092715425078583,
2.92258446,
5.627406437305261
],
[
0.27725124278799584,
0.97419482,
3.4517752094600405
],
[
2.7085190572120044,
2.92258446,
2.2719568005399595
],
[
0.5680898741734609,
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached"... | [
"Be",
"Be",
"Hg",
"Hg",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.5811132,
0,
-0.09500251
],
[
0,
0.36404428,
0
],
[
-0.09500282,
0,
0.84715384
]
] | -14.51676 | [
0,
0,
0,
0,
0,
0
] | [
[
0.01123014,
0,
-0.00886207
],
[
-0.01123014,
0,
0.00886207
],
[
0.00035897,
0,
0.00085465
],
[
-0.00035897,
0,
-0.00085465
],
[
0.00250029,
0,
-0.00194245
],
[
-0.00250029,
0,
0.00194245
]
] | 0.000002 | 0.861895 | pbe | true | 141dcc3ed45ba23569e9eaa7f12f9044_11_Be2Al2Hg2 |
[
"Al",
"C",
"Fe"
] | 8 | A2BC | AlCFe2 | Al2 Fe4 C2 | 3 | [
1,
1,
1
] | 3 | [
[
6.1909455,
0,
0
],
[
0,
6.1909455,
0
],
[
3.09547275,
3.09547275,
2.23189437
]
] | agm002807716 | [
[
3.09547275,
3.09547275,
0
],
[
3.09547275,
6.1909455,
1.115947185
],
[
3.9844707316718404,
1.547736375,
0.5579735925
],
[
2.2064747683281603,
4.643209124999999,
0.5579735925
],
[
4.643209125,
5.301947518328159,
1.6739207775
],
[
7... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"C",
"Fe",
"Fe",
"Fe",
"Fe",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-5.6651206,
0,
0
],
[
0,
-5.6651206,
0
],
[
0,
0,
-12.0048065
]
] | -58.701985 | [
-0.041,
-0.041,
0.553,
0.573,
0.592,
0.616,
-0.018,
-0.018
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01323284,
0,
0
],
[
0.01323284,
0,
0
],
[
0,
0.01323284,
0
],
[
0,
-0.01323284,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.110785 | 3.890858 | pbe | true | fb5c51d0ce82db8cb3ea2ca2a047d868_122_Al2Fe4C2 |
[
"Al",
"Ca",
"P"
] | 4 | A2BC | AlCa2P | Ca2 Al1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.40787227,
0,
0
],
[
0,
3.40787227,
0
],
[
0,
0,
8.3297438
]
] | agm004065138 | [
[
1.703936135,
1.703936135,
2.08243595
],
[
0,
0,
0.364287767610606
],
[
0,
0,
3.800584132389394
],
[
1.703936135,
1.703936135,
6.247307849999999
]
] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"Ca",
"Ca",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.8217853,
0,
0
],
[
0,
0.8217853,
0
],
[
0,
0,
0.6563282
]
] | -15.066761 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.01164403
],
[
0,
0,
-0.01164403
],
[
0,
0,
0
]
] | -0.000001 | 2.128228 | pbe | true | b03deb82077d921bddf5bb53a9a407df_123_Ca2Al1P1 |
[
"Al",
"Ca",
"U"
] | 6 | A4BC | Al4CaU | Ca1 U1 Al4 | 3 | [
1,
1,
1
] | 3 | [
[
5.58217284,
0,
0
],
[
2.79108642,
4.83430349,
0
],
[
2.79108642,
1.6114345,
4.55782504
]
] | agm001170027 | [
[
2.79108642,
1.6114344975,
1.13945626
],
[
0,
0,
0
],
[
5.582175658997285,
3.222867398421344,
0.5580993863494448
],
[
5.582175658997285,
1.600470282323169,
2.852515393801255
],
[
6.987212777365778,
4.034065958987439,
2.852515393801255
],... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "U", "attached":... | [
"Ca",
"U",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
1.1852338,
0,
0
],
[
0,
1.1852338,
0
],
[
0,
0,
1.1852338
]
] | -28.941971 | [
0.038,
2.577,
0.001,
0.001,
0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00072025
],
[
0,
0.00067906,
-0.00024008
],
[
-0.00058808,
-0.00033953,
-0.00024008
],
[
0.00058808,
-0.00033953,
-0.00024008
]
] | 3.192287 | 8.700183 | pbe | true | 443fd3241171cad4bea6a625ba5f2677_216_Ca1U1Al4 |
[
"Al",
"Co",
"Fe"
] | 5 | A3BC | AlCoFe3 | Al1 Fe3 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.26500887,
0,
0
],
[
0,
4.26500887,
0
],
[
0,
0,
4.26500887
]
] | agm002396994 | [
[
2.132504435,
2.132504435,
2.132504435
],
[
0,
2.132504435,
0
],
[
0,
0,
2.132504435
],
[
2.132504435,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached"... | [
"Co",
"Fe",
"Fe",
"Fe",
"Al"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
5.427122,
0,
0
],
[
0,
5.427122,
0
],
[
0,
0,
5.427122
]
] | -29.847914 | [
2.055,
2.479,
2.532,
2.29,
-0.106
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.931719 | 9.459087 | pbe | true | f57c98fa5f851741dc7634b02f23e59e_221_Al1Fe3Co1 |
[
"Al",
"Co",
"F"
] | 4 | A2BC | AlCoF2 | Al1 Co1 F2 | 3 | [
1,
1,
1
] | 3 | [
[
7.76748829,
-0.01840706,
-0.01086401
],
[
7.25881583,
2.76474338,
-0.01086401
],
[
7.25881583,
1.32668349,
2.42566174
]
] | agm004046923 | [
[
0,
0,
0
],
[
11.142559975,
2.036509905,
1.20196686
],
[
20.472950154168274,
3.741812103060721,
2.2084518878025743
],
[
1.812169795831726,
0.3312077069392788,
0.19548183219742557
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached": ... | [
"Co",
"Al",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.217809,
-0.20856553,
-0.1230973
],
[
-0.20856553,
2.320835,
-0.02249832
],
[
-0.1230973,
-0.02249832,
2.3456757
]
] | -17.15453 | [
2.123,
-0.01,
0.021,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00115213,
0.00021057,
0.00012428
],
[
-0.00115213,
-0.00021057,
-0.00012428
]
] | 2.069338 | 1.313902 | pbe | true | 8b254cc12526f2ec57391c40d6d47c77_166_Al1Co1F2 |
[
"As",
"Ho",
"Ir"
] | 3 | ABC | AsHoIr | Ho1 As1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.49159779,
0,
0
],
[
2.24579889,
3.88983779,
0
],
[
2.24579889,
1.2966126,
3.66737425
]
] | agm002253500 | [
[
4.491597785,
2.593225195,
1.833687125
],
[
2.2457988925,
1.2966125975,
0.9168435625
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ir", "attached"... | [
"As",
"Ir",
"Ho"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.8246862,
0,
0
],
[
0,
1.8246862,
0
],
[
0,
0,
1.8246862
]
] | -20.294299 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.178892 | pbe | true | 221d88ab9a52e5f784eb2d6a4acbae14_216_Ho1As1Ir1 |
[
"Al",
"Co",
"Sc"
] | 5 | A2B2C | AlCo2Sc2 | Sc2 Al1 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
3.24201428,
0,
0
],
[
0,
3.24201428,
0
],
[
1.62100714,
1.62100714,
8.36060707
]
] | agm002909078 | [
[
1.6210071562100714,
1.6210071562100714,
1.9651258280720183
],
[
3.2420142637899287,
3.2420142637899287,
6.395481241927982
],
[
3.24201428,
1.62100714,
4.180303535
],
[
1.62100714,
3.24201428,
4.180303535
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Co",
"Co",
"Al"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
4.071236,
0,
0
],
[
0,
4.071236,
0
],
[
0,
0,
0.59293437
]
] | -31.087412 | [
-0.096,
-0.096,
1.341,
1.341,
0
] | [
[
0,
0,
0.02147416
],
[
0,
0,
-0.02147416
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.418886 | 4.188959 | pbe | true | 86696d89fcc7c0a4590f5a8700b0c1eb_139_Sc2Al1Co2 |
[
"Al",
"Cr",
"Mg"
] | 4 | A2BC | AlCr2Mg | Mg1 Al1 Cr2 | 3 | [
1,
1,
1
] | 3 | [
[
5.07032113,
0.01216017,
-0.01040711
],
[
2.15682212,
4.58872778,
0.01040712
],
[
-3.09688645,
-3.11206049,
2.53629383
]
] | agm004439563 | [
[
1.2367049067329228,
1.8248633781908135,
1.2733504773615654
],
[
7.046063851385355,
4.485610586004293,
9.749445400759504e-9
],
[
2.9959127417026954,
-0.27087174780866285,
1.2629433627800686
],
[
3.6922901751790276,
2.3505571686135567,
5.108920699969536e-9... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached"... | [
"Al",
"Cr",
"Cr",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.9475355,
-0.18553641,
0.01059716
],
[
-0.18553641,
2.1208642,
-0.01664597
],
[
0.01059716,
-0.01664597,
2.2238348
]
] | -23.924023 | [
0,
-1.66,
1.665,
0.002
] | [
[
-0.00085375,
-0.00054351,
0
],
[
0.00362833,
0.00230984,
0
],
[
0.00129283,
0.00082303,
0
],
[
-0.00406741,
-0.00258936,
0
]
] | 0.023351 | 2.492228 | pbe | true | fddf6fdebf82a098433f4bae6a183f46_44_Mg1Al1Cr2 |
[
"Al",
"Cr",
"Os"
] | 3 | ABC | AlCrOs | Al1 Cr1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
2.7383671,
0,
0
],
[
-1.36918355,
2.37149547,
0
],
[
0,
0,
6.33673547
]
] | agm004124342 | [
[
1.3691835636918355,
0.7904984820950152,
2.162047503990941
],
[
-1.3691835596086339e-8,
1.580996987904985,
4.140087996261056
],
[
0,
0,
0.0345999697480034
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached"... | [
"Cr",
"Os",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.899363,
0,
0
],
[
0,
4.899363,
0
],
[
0,
0,
4.938996
]
] | -24.663955 | [
0.034,
-0.003,
0.001
] | [
[
0,
0,
-0.00562983
],
[
0,
0,
0.00062269
],
[
0,
0,
0.00500714
]
] | 0.037979 | 2.985797 | pbe | true | e0660a67cdd4ccaafcf4afcac3c829f2_156_Al1Cr1Os1 |
[
"Al",
"Cu",
"Pt"
] | 8 | A3B3C2 | Al2Cu3Pt3 | Al2 Cu3 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
3.89348939,
0,
0
],
[
0,
3.95382107,
0
],
[
0,
0,
7.1826574
]
] | agm005579682 | [
[
0,
0,
1.8049842071093698
],
[
0,
0,
5.37767319289063
],
[
1.946744695,
1.976910535,
1.7535922934123702
],
[
1.946744695,
1.976910535,
5.429065106587631
],
[
0,
1.976910535,
0
],
[
0,
1.976910535,
3.5913287
],
[
1.9... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached"... | [
"Al",
"Al",
"Cu",
"Cu",
"Cu",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
-4.8998322,
0,
0
],
[
0,
-4.998978,
0
],
[
0,
0,
-5.4045615
]
] | -42.615381 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00096939
],
[
0,
0,
0.00096939
],
[
0,
0,
-0.00187403
],
[
0,
0,
0.00187403
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.946252 | pbe | true | a502ed74aae0b5f3811016b0658b1070_47_Al2Cu3Pt3 |
[
"Al",
"Cu",
"Tl"
] | 4 | A2BC | AlCu2Tl | Al1 Tl1 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
3.14710828,
0,
0
],
[
0,
3.14710828,
0
],
[
0,
0,
7.0478319
]
] | agm003785341 | [
[
0,
0,
3.3497030600050652
],
[
1.57355414,
1.57355414,
5.813447486881185
],
[
0,
0,
0.081828077013441
],
[
1.57355414,
1.57355414,
1.326769226100309
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached"... | [
"Tl",
"Al",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-4.5448794,
0,
0
],
[
0,
-4.5448794,
0
],
[
0,
0,
-3.544888
]
] | -13.641226 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00462604
],
[
0,
0,
-0.002391
],
[
0,
0,
0.01730227
],
[
0,
0,
-0.01028524
]
] | -0.000004 | 1.658238 | pbe | true | 290207321bc48decea5c9398f596e85e_99_Al1Tl1Cu2 |
[
"Al",
"Cu",
"Zr"
] | 12 | A3B2C | Al3CuZr2 | Zr4 Al6 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
5.93709412,
-0.01331593,
0.02639163
],
[
-2.96016038,
5.1465245,
-0.02639163
],
[
-0.02661271,
0.01543368,
7.13922223
]
] | agm005513215 | [
[
0,
0,
0
],
[
2.96854706,
-0.006657965,
0.013195815
],
[
-1.48008019,
2.57326225,
-0.013195815
],
[
1.48846687,
2.566604285,
0
],
[
0.0015256582432903718,
3.428935400332874,
2.539873116644022
],
[
2.94879537175671,
1.7197068496... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached"... | [
"Zr",
"Zr",
"Zr",
"Zr",
"Cu",
"Cu",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
-1.3721095,
0.10895458,
-0.08644519
],
[
0.10895458,
-1.2474228,
0.0501327
],
[
-0.08644551,
0.05013289,
-1.223344
]
] | -65.666922 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00277823,
0.0016112,
0.01331964
],
[
0.00277823,
-0.0016112,
-0.01331964
],
[
-0.00046708,
0.00027088,
0.00158707
],
[
0.00052997,
0.001202... | -0.000015 | 5.493473 | pbe | true | 8e4103b274c6a92689128c68a18eccd0_12_Zr4Al6Cu2 |
[
"Al",
"Eu",
"Pd"
] | 10 | A2B2C | AlEu2Pd2 | Eu4 Al2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
5.92343496,
0,
0
],
[
-2.96171748,
5.04720968,
-0.04194764
],
[
0,
-1.69294836,
7.75785203
]
] | agm002198230 | [
[
-0.7729406166527568,
2.9505956687410473,
2.704585171869989
],
[
2.1887769225815927,
1.2501398312589527,
1.1323932031300106
],
[
3.7346580966527565,
0.40366565125895265,
5.01131921813001
],
[
0.7729405574184072,
2.1041214887410473,
6.5835111868699885
],... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
"Eu",
"Eu",
"Al",
"Al",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
4.5940714,
0,
0
],
[
0,
5.635244,
0.3088265
],
[
0,
0.30882746,
4.3313413
]
] | -76.806506 | [
6.809,
6.818,
6.809,
6.818,
-0.016,
-0.016,
-0.027,
-0.024,
-0.027,
-0.024
] | [
[
-0.00396234,
-0.00468199,
-0.00831235
],
[
-0.00396234,
0.00468199,
0.00831235
],
[
0.00396234,
0.00468199,
0.00831235
],
[
0.00396234,
-0.00468199,
-0.00831235
],
[
0.00846967,
0,
0
],
[
-0.00846967,
0,
0
],
[
0.0... | 28.130161 | 5.055272 | pbe | true | 7bf9d1b8660906e92a2d48b62dde6b9d_15_Eu4Al2Pd4 |
[
"Al",
"F",
"Hg"
] | 19 | A12B6C | AlF12Hg6 | Al1 Hg6 F12 | 3 | [
1,
1,
1
] | 3 | [
[
6.87177923,
0.01725935,
0.02067629
],
[
-1.024725,
6.79496772,
0.02067629
],
[
-1.02472501,
-1.19387629,
6.68929542
]
] | agm003688724 | [
[
0,
0,
0
],
[
3.5659554851231285,
5.414156753536133,
2.6864636266046866
],
[
3.706562348913634,
1.8395638307131728,
0.9235788441315019
],
[
0.011363344122484034,
3.751648842734771,
1.9749934812544643
],
[
1.2563737348768707,
0.2041940264638664... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Al", "attached": ... | [
"Al",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.05263157894736842,
0.631578947368421,
0.3157894736842105
] | [
[
1.8913047,
0.0400828,
0.04801835
],
[
0.04008293,
1.9036003,
0.05594463
],
[
0.04801824,
0.05594472,
1.9239213
]
] | -60.277504 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00013511,
0.00003423,
-0.00001238
],
[
-0.0000024,
0.00013633,
-0.00003146
],
[
-0.00005432,
-0.00001075,
0.00012851
],
[
0.00013511,
-0.00003423,
0.00001238
],
[
0.0000024,
-0.00013633,
0.00003146
],
[... | 0 | 2.486934 | pbe | true | 8740147f6b562dfdc0310e7cbdfbaa0f_148_Al1Hg6F12 |
[
"Al",
"F",
"In"
] | 28 | A9B3C2 | Al2F9In3 | Al4 In6 F18 | 3 | [
1,
1,
1
] | 3 | [
[
7.75120174,
0.03926888,
0.73617287
],
[
0.67325834,
7.72200762,
0.73617194
],
[
0.04262444,
0.03926886,
7.78596482
]
] | agm005639385 | [
[
1.339680740340344,
1.234219448058992,
1.464870117939786
],
[
5.573223000340343,
5.134492128058992,
6.094024932939786
],
[
7.127403779659655,
6.566325911941009,
7.793439512060214
],
[
2.893861519659656,
2.6660532319410084,
3.1642846970602143
],
[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached":... | [
"Al",
"Al",
"Al",
"Al",
"In",
"In",
"In",
"In",
"In",
"In",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.6428571428571429,
0.21428571428571427
] | [
[
1.4389777,
0.1386978,
0.16461772
],
[
0.1386978,
1.416208,
0.15165862
],
[
0.16461772,
0.15165862,
1.468429
]
] | -141.109199 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00283413,
0.00261103,
0.00309898
],
[
0.00283413,
0.00261103,
0.00309898
],
[
-0.00283413,
-0.00261103,
-0.00309898
],
[
-0.00283413,
-0.00261103,
-0.00309898
],
[
0.00041638,
0,
-0.00038079
],
[
0.00003406,
0.00041498,
... | 0 | 0 | pbe | true | be742841e1c1b95d5a88df5260988126_167_Al4In6F18 |
[
"Al",
"Fe",
"O"
] | 12 | A4BC | AlFeO4 | Al2 Fe2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
5.35538504,
-0.14459133,
-0.00001358
],
[
-2.0849148,
4.93499125,
-0.00001457
],
[
-1.63527565,
-2.39526328,
4.50401218
]
] | agm002364040 | [
[
2.6622055058952103,
-0.09497327708214286,
2.251988747352778
],
[
1.619732490724407,
2.3724851958908797,
4.503974569585331
],
[
1.5264789110184906,
0.7265749771585348,
0.8512687788691572
],
[
3.1823406301846813,
3.0752826489609717,
0.8945232169589677
],... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": ... | [
"Fe",
"Fe",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
1.746876,
-0.14909507,
-0.00007022
],
[
-0.14909579,
1.6305825,
0.00187538
],
[
-0.00006961,
0.00187561,
1.8772935
]
] | -77.661271 | [
3.838,
3.838,
-0.15,
-0.176,
-0.15,
-0.176,
-0.15,
-0.176,
-0.15,
-0.176,
0.018,
0.018
] | [
[
-0.00048092,
-0.00072981,
-0.00000161
],
[
-0.00047359,
-0.00068715,
0.00000557
],
[
-0.00006406,
-0.00058801,
0.00003959
],
[
0.00010678,
0.00115209,
-0.00089212
],
[
0.00002526,
-0.00057238,
-0.000093
],
[
0.00008171,
0.0012... | 6.263849 | 6.399951 | pbe | true | 7dc5768b1cd42a25a80e698afbc30f25_109_Al2Fe2O8 |
[
"Al",
"Ga",
"Li"
] | 5 | A3BC | AlGaLi3 | Li3 Al1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
4.95019963,
0,
0
],
[
0,
4.95019963,
0
],
[
0,
0,
4.95019963
]
] | agm002508910 | [
[
0,
0,
0
],
[
2.475099815,
2.475099815,
2.475099815
],
[
0,
2.475099815,
0
],
[
0,
0,
2.475099815
],
[
2.475099815,
0,
0
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached"... | [
"Al",
"Ga",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.8086565,
0,
0
],
[
0,
1.8086565,
0
],
[
0,
0,
1.8086565
]
] | -10.603827 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000233 | 4.07478 | pbe | true | cdf006511a9e70672d84a1fd9c2e4406_221_Li3Al1Ga1 |
[
"Al",
"Gd",
"Li"
] | 4 | A2BC | Al2GdLi | Li1 Gd1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
4.46845279,
0,
0
],
[
0,
4.29852829,
0
],
[
0,
0,
4.29852829
]
] | agm001211322 | [
[
2.234226395,
0,
0
],
[
0,
0,
2.149264145
],
[
0,
2.149264145,
0
],
[
2.234226395,
2.149264145,
2.149264145
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached"... | [
"Gd",
"Al",
"Al",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.2827713,
0,
0
],
[
0,
0.28364766,
0
],
[
0,
0,
0.28364766
]
] | -24.368043 | [
7.104,
-0.002,
-0.002,
0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.319026 | 3.175619 | pbe | true | 8100defc69c2374e1841fd17c56e2208_123_Li1Gd1Al2 |
[
"Al",
"Gd",
"Mg"
] | 4 | A2BC | Al2GdMg | Gd1 Mg1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.42813998,
0,
0
],
[
0,
3.42813998,
0
],
[
0,
0,
7.31977523
]
] | agm001815524 | [
[
1.71406999,
1.71406999,
0
],
[
1.71406999,
1.71406999,
3.659887615
],
[
0,
0,
5.728377700205287
],
[
0,
0,
1.5913975297947134
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached"... | [
"Mg",
"Gd",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.0111862,
0,
0
],
[
0,
1.0111862,
0
],
[
0,
0,
1.0119305
]
] | -23.995153 | [
-0.003,
7.241,
-0.012,
-0.012
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00050665
],
[
0,
0,
0.00050665
]
] | 7.508572 | 2.758297 | pbe | true | da6f935e7520b2f11b34bb2e215c927b_123_Gd1Mg1Al2 |
[
"Al",
"Ge",
"H"
] | 10 | A2B2C | Al2Ge2H | Al4 Ge4 H2 | 3 | [
1,
1,
1
] | 3 | [
[
7.76752224,
0,
0
],
[
0,
7.76752224,
0
],
[
0,
0,
2.85817108
]
] | agm002983035 | [
[
0,
0,
0
],
[
3.88376112,
3.88376112,
0
],
[
1.1482849300738944,
5.032046050073894,
1.42908554
],
[
5.032046050073894,
6.619237309926106,
1.42908554
],
[
6.619237309926106,
2.7354761899261058,
1.42908554
],
[
2.7354761899261058,
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Al", "attached": ... | [
"H",
"H",
"Ge",
"Ge",
"Ge",
"Ge",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
0.5171901,
0,
0
],
[
0,
0.5171901,
0
],
[
0,
0,
6.9700704
]
] | -35.081886 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01214862,
-0.01214862,
0
],
[
-0.01214862,
0.01214862,
0
],
[
0.01214862,
0.01214862,
0
],
[
0.01214862,
-0.01214862,
0
],
[
0.00432773,
0.00432773,
0
],
[
0.00432773,
... | 0 | 3.05992 | pbe | true | 12f621eaafbff69d2938900f4ab7c845_127_Al4Ge4H2 |
[
"Al",
"Ge",
"Nd"
] | 4 | A2BC | AlGe2Nd | Nd1 Al1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.45053139,
0,
0
],
[
2.2252657,
3.85427325,
0
],
[
2.2252657,
1.28475775,
5.05513077
]
] | agm001926367 | [
[
2.22526794468787,
1.2847590476053274,
0.7625912973465807
],
[
6.675794845312129,
3.8542719523946722,
4.292539472653419
],
[
4.450531395,
2.5695155,
2.527565385
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached"... | [
"Ge",
"Ge",
"Nd",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6673107,
0,
0
],
[
0,
1.6673107,
0
],
[
0,
0,
1.619613
]
] | -19.283438 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00076278
],
[
0,
0,
0.00076278
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.890185 | pbe | true | 0bf7be5689702578400ee4c2a6227db8_166_Nd1Al1Ge2 |