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[
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[
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1,
1
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[
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1,
1,
1
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[
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1,
1
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
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] | 0 | 0 | pbe | true | bc8c1fbff68d1b5eb54af43f7f8e5673_163_Pm2In2Sn2Cl12 |
[
"Co",
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"Fe",
"Tb"
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1,
1,
1
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0
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[
0,
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[
0,
0,
0
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] | 1.623236 | 6.75887 | pbe | true | 28f84e38b3e84e899db88f01c8ac4773_216_Tb1Dy1Fe1Co1 |
[
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1,
1,
1
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[
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0,
0
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[
0,
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0
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] | 0.00001 | 8.726767 | pbe | true | 621ef225bd796d711157fbeded17846b_62_Mo4Se12 |
[
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1,
1
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] | 0 | 4.434656 | pbe | true | 081adc0ca0bd891d148e2f8eb13d0d19_87_Zn8Si8 |
[
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1,
1,
1
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0
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[
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] | 0.001417 | 2.689597 | pbe | true | 6b82b9c97095187287eba2f69239f06d_156_Ac1Lu1C1 |
[
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1,
1,
1
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] | -0.000076 | 29.910902 | pbe | true | 4e5958892d4d489d55b42882245b82dd_72_Nd10Y6Ag4 |
[
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1,
1,
1
] | 3 | [
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] | null | null | pbe | false | 109fc47a3fd3d2f3f4d6826de8dc6c00_139_Na2Pb1Cl4 |
[
"Co",
"Tc",
"Tl"
] | 4 | A2BC | CoTc2Tl | Tl1 Co1 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
3.02869463,
0.06853749,
0
],
[
-0.06894326,
3.02868542,
0
],
[
0,
0,
6.93914712
]
] | agm004089416 | [
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1.4798756849999999,
1.548611455,
5.20436034
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0,
0,
6.5084907429191565
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[
0,
0,
3.9002299370808435
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[
1.4798756849999999,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Co",
"Tc",
"Tc",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.5488524,
0.13696751,
0
],
[
0.13696751,
6.5612936,
0
],
[
0,
0,
6.443343
]
] | -28.061066 | [
1.041,
0.105,
0.105,
-0.002
] | [
[
0,
0,
0
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[
0,
0,
0.01013059
],
[
0,
0,
-0.01013059
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[
0,
0,
0
]
] | 1.281239 | 4.924524 | pbe | true | 4f2d13db56139305a8b72a9f831e1ba3_123_Tl1Co1Tc2 |
[
"Fe",
"Re",
"Tc"
] | 12 | A3B2C | FeRe3Tc2 | Fe2 Re6 Tc4 | 3 | [
1,
1,
1
] | 3 | [
[
4.73271609,
0,
0
],
[
0,
2.73535522,
0
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[
0,
0,
13.24529113
]
] | agm005679250 | [
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1.1737059706470951,
2.051516415,
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[
3.559010119352905,
0.683838805,
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2.051516415,
12.101783821438774
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[
4.324010654912147,
2.051516415,
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]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"Fe",
"Fe",
"Re",
"Re",
"Re",
"Re",
"Re",
"Re",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
5.750505,
0,
0
],
[
0,
5.026603,
0
],
[
0,
0,
4.554478
]
] | -132.049401 | [
0.988,
0.988,
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-0.063,
-0.005,
-0.005,
-0.005,
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-0.002,
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[
0.00128175,
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[
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[
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[
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[
0.0041384,
0,
0.00429787
],
[
0.0041384,
0,
-0.00429787
]
] | 1.811018 | 13.60004 | pbe | true | efe9e89b24aadafe99e4339187ec05bd_59_Fe2Re6Tc4 |
[
"As",
"I",
"Sr"
] | 10 | A5B4C | AsI5Sr4 | Sr4 As1 I5 | 3 | [
1,
1,
1
] | 3 | [
[
4.57716782,
0,
-1.00655687
],
[
0.23046696,
9.25121145,
1.0480166
],
[
-0.10114485,
1.33435331,
10.4503333
]
] | agm006067188 | [
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1.5284025293853152,
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0.1814989353503524,
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[
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[
0.7802094469217167,
1.9003096212442285,
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"As",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.1,
0.5,
0.4
] | [
[
0.67579657,
0.00603966,
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[
0.00603967,
0.5930212,
0.02746465
],
[
-0.01450152,
0.0274646,
0.6130421
]
] | -35.251375 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00021283,
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[
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[
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[
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[
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[
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0.00350168
],
[
0,
0,
0
],
[
0.00095194,
0.00169567,
0.00432881
]
] | 0 | 0 | pbe | true | 8ad0085f9b1d9e5393d325342eed61d6_12_Sr4As1I5 |
[
"B",
"Ir",
"Y"
] | 4 | A2BC | BIr2Y | Y1 B1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.48341885,
0,
0
],
[
1.74170943,
3.01672922,
0
],
[
1.74170943,
1.00557641,
6.2772422
]
] | agm001990912 | [
[
0,
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0
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[
3.483418855,
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[
5.225128264753171,
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4.086984780086074
],
[
1.7417094452468287,
1.0055764178854985,
2.1902574199139258
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"B",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
],
[
0,
-0.01330932,
0
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[
0,
0,
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] | -31.749968 | [
0,
0,
0,
0
] | [
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0,
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0.00056729
]
] | -0.000003 | 2.689158 | pbe | true | 1afa79fcf1d3faa8abb141fec1510457_166_Y1B1Ir2 |
[
"Cl",
"Sn",
"Sr"
] | 8 | A2BC | Cl2SnSr | Sr2 Sn2 Cl4 | 3 | [
1,
1,
1
] | 3 | [
[
8.26239685,
0,
0
],
[
0,
8.26239685,
0
],
[
4.13119843,
4.13119843,
3.62768997
]
] | agm002814550 | [
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4.131198425,
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0
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[
4.1311984275,
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[
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0
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[
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[
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[
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6.38385888430178,
2.7207674775
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[
10.32799606625,
10.14093482319822,
2.7207674775
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sn",
"Sn",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.37964603,
0,
0
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[
0,
0.37964603,
0
],
[
0,
0,
1.1894704
]
] | -27.967686 | [
0,
0,
-0.001,
0.001,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
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[
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[
0,
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0,
0
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[
0,
-0.00583643,
0
],
[
0,
0.00583643,
0
]
] | 0 | 1.615695 | pbe | true | a99b6ace6987ae46d765a6a399e04bac_122_Sr2Sn2Cl4 |
[
"Cd",
"Cl",
"Pt",
"S"
] | 5 | A2BCD | CdCl2PtS | Cd1 Pt1 S1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
4.95518613,
0,
0
],
[
0,
4.95518613,
0
],
[
0,
0,
5.3094287
]
] | agm001691321 | [
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0,
0,
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[
0,
2.477593065,
0
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[
2.477593065,
0,
0
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[
2.477593065,
2.477593065,
2.65471435
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[
0,
0,
0
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"S",
"Cl",
"Cl",
"Pt",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.2196267,
0,
0
],
[
0,
2.2196267,
0
],
[
0,
0,
2.3990023
]
] | -11.605627 | [
0.384,
0.07,
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0.01
] | [
[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.720731 | 6.038226 | pbe | true | 46925b11b3b1669670862436c517bd25_123_Cd1Pt1S1Cl2 |
[
"Dy",
"Fe",
"Sm"
] | 12 | A9B2C | Dy2Fe9Sm | Sm1 Dy2 Fe9 | 3 | [
1,
1,
1
] | 3 | [
[
4.90244112,
0,
1.45904127
],
[
2.23410459,
4.36379485,
1.45904127
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[
0.10524161,
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8.61210938
]
] | agm005931661 | [
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0,
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[
1.0744795680549024,
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[
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[
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[
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[
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7.464206649347205
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[
1.7848154919016601,
2.5859787899553153,
7.464206649347205
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
"Dy",
"Dy",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.75,
0.08333333333333333
] | [
[
5.797127,
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[
0.00792557,
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[
-0.04354779,
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] | -90.654502 | [
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2.328,
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1.832,
2.082,
2.082,
2.082,
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] | [
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[
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[
0.00113995,
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],
[
0.00036547,
0.00109355,
-0.00383028
]
] | 17.146616 | 15.39445 | pbe | true | 36395031a1ead0f382ff50c84bcc2df4_166_Sm1Dy2Fe9 |
[
"Li",
"Ni",
"Sb",
"Sm"
] | 10 | A4B3C2D | LiNi4Sb3Sm2 | Li1 Sm2 Ni4 Sb3 | 4 | [
1,
1,
1
] | 3 | [
[
4.3178275,
0,
0
],
[
0,
4.3178275,
0
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[
0,
0,
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]
] | agm004531373 | [
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[
0,
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Li",
"Sm",
"Sm",
"Ni",
"Ni",
"Ni",
"Ni",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.1,
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0.3,
0.2
] | [
[
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[
0,
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[
0,
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] | -53.028904 | [
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[
0,
0,
0
],
[
0,
0,
-0.00121937
],
[
0,
0,
0.00121937
]
] | 0 | 4.971262 | pbe | true | 0ed3722631cecafa0d1ddb734e37b250_115_Li1Sm2Ni4Sb3 |
[
"In",
"Pu",
"Th"
] | 4 | A2BC | In2PuTh | Pu1 Th1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
5.19844235,
0,
0
],
[
2.59922118,
4.50198314,
0
],
[
2.59922118,
1.50066105,
5.31626693
]
] | agm005125988 | [
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5.198442329126253,
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Pu",
"Th",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.9145603,
0,
0
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[
0,
3.9145603,
0
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[
0,
0,
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]
] | -26.525742 | [
5.485,
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] | [
[
0,
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[
0,
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[
0,
0,
0.00184246
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[
0,
0,
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]
] | 6.122851 | 9.014446 | pbe | true | 0bf976530a6bcc5becaba3669befb36e_160_Pu1Th1In2 |
[
"C",
"Tc"
] | 12 | A2B | C2Tc | Tc4 C8 | 2 | [
1,
1,
1
] | 3 | [
[
2.70553563,
0,
0
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[
0,
5.73337692,
0
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[
0,
0,
6.81917932
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] | agm005514454 | [
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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[
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[
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] | -103.200957 | [
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0,
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[
0,
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[
0,
0.0021219,
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]
] | -0.000007 | 5.848034 | pbe | true | 907351b30be55c82ccc4543009ce2ca9_62_Tc4C8 |
[
"Lu",
"Pd"
] | 3 | A2B | LuPd2 | Lu1 Pd2 | 2 | [
1,
1,
1
] | 3 | [
[
3.50182602,
0,
0
],
[
0,
3.50182602,
0
],
[
-1.75091301,
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] | agm001850851 | [
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
0,
4.2924175,
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[
0,
0,
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] | -17.437898 | [
0,
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[
0,
0,
0
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[
0,
0,
0.00598446
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[
0,
0,
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]
] | 0.000004 | 1.977795 | pbe | true | 5109ea8adac15d9119134a1d79c30dcc_139_Lu1Pd2 |
[
"B",
"Cs",
"Se"
] | 18 | A4B4C | BCs4Se4 | Cs8 B2 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
7.3353332,
0,
0
],
[
0,
9.82960164,
0
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[
0,
0,
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] | agm006037884 | [
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[
1.100725869445592,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
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"Cs",
"Cs",
"Cs",
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"Cs",
"Cs",
"B",
"B",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.4444444444444444,
0.4444444444444444
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[
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0
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[
0,
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-1e-8
],
[
0,
1e-8,
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] | -62.627672 | [
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0.006,
0.006,
0.006,
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-0.011,
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0.157,
0.157,
0.157,
0.157,
0.157,
0.157,
0.157,
0.157
] | [
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[
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[
0.00171034,
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-0.00334866
]
] | 2.220782 | 17.788322 | pbe | true | 1bb20af7cdf5e6e1f9d4ad0d8d00a88b_137_Cs8B2Se8 |
[
"Be",
"Er",
"Pd"
] | 8 | A6BC | BeErPd6 | Er1 Be1 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
5.33014113,
-1.06604348,
0.34593699
],
[
-0.66259779,
5.39516611,
0.34593699
],
[
1.72878752,
1.6034416,
4.91157883
]
] | agm003768318 | [
[
3.19816543,
2.966282115,
2.801726405
],
[
0,
0,
0
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[
0.9383033252813724,
4.212816820751188,
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4.271402687737551,
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[
1.5356655250124074,
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1.0875887214266045
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[
4.860665334987593,
4.508242292406376,
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]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Er",
"Be",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.75
] | [
[
4.6920915,
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[
0.05189415,
4.6842723,
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],
[
-0.07243811,
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4.7453513
]
] | -42.323759 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
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[
0.00449444,
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[
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[
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[
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[
0.00269344,
0.00249815,
0.00366152
],
[
-0.00269344,
-0.00249815,
-0.00366152
]
] | 0 | 3.226912 | pbe | true | bfee3282d69000270118e702392f2a46_166_Er1Be1Pd6 |
[
"Be",
"Ni",
"Se"
] | 4 | A2BC | Be2NiSe | Be2 Ni1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
2.69494265,
-0.00121999,
0
],
[
0.00160544,
2.69495537,
0
],
[
0,
0,
7.37501961
]
] | agm004408041 | [
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0,
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[
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5.022949962153302
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[
0,
0,
0.8705558697871476
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[
1.3482740450000001,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Ni",
"Se",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.916957,
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0
],
[
-0.0571321,
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0
],
[
0,
0,
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]
] | -15.82588 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0.00349175
],
[
0,
0,
0.00206964
]
] | -0.000082 | 2.129214 | pbe | true | c32e160f9abfbdb4b59fe5fd9e200e80_99_Be2Ni1Se1 |
[
"Pr",
"Ru",
"U"
] | 8 | A2BC | PrRu2U | Pr2 U2 Ru4 | 3 | [
1,
1,
1
] | 3 | [
[
4.22693464,
0,
0
],
[
0,
5.10342183,
-2.24966613
],
[
0,
0.51203055,
8.07500449
]
] | agm005597867 | [
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1.05673366,
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2.798464324772615
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3.1702009799999997,
1.3342891481316261,
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Pr",
"Pr",
"U",
"U",
"Ru",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.526255,
0,
0
],
[
0,
4.4234,
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],
[
0,
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4.3486443
]
] | -69.925163 | [
0.012,
0.012,
0.172,
0.172,
-0.027,
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] | [
[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
0.0017466,
0.00142221
],
[
0,
-0.0017466,
-0.00142221
]
] | 0.305589 | 9.557731 | pbe | true | 6c6b67d2f16bcb026f9ccba827779768_63_Pr2U2Ru4 |
[
"As",
"O",
"Th",
"Tl"
] | 12 | A8B2CD | As2O8ThTl | Th1 Tl1 As2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.83874485,
0.00002529,
0
],
[
-2.91939433,
5.05648872,
0
],
[
0,
0,
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]
] | agm004878855 | [
[
0,
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4.03191424
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[
0,
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0
],
[
2.919365152527131,
1.6855130831451217,
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] | 1.052057 | 7.697753 | pbe | true | cbb83ebae622c2318cbbffa78080ad6f_147_Th1Tl1As2O8 |
[
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1,
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[
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1,
1,
1
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[
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1,
1,
1
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"La",
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] | 1.658582 | 6.293334 | pbe | true | fdfe260a327ba317e825add0a24939d0_139_La2Dy2Sn2H1 |
[
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1,
1,
1
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0
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[
0,
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] | 0 | 2.270365 | pbe | true | 066a7b6a07eb44eb7193b3e996dcff06_123_Sr1Zn2Hg1Rh1 |
[
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"V"
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1,
1,
1
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"Li",
"V",
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"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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] | 0.995853 | 7.087805 | pbe | true | 55ac8c050c38fd919b6e907069904c93_147_Ba1Li2V1Cl8 |
[
"La",
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1,
1,
1
] | 3 | [
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3.62236819,
0,
0
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[
0,
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[
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"La",
"La",
"Th",
"U",
"N",
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"N",
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] | 2023-11-16 06:57:59 | [
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] | 0.000106 | 2.700909 | pbe | true | 29ee59ffe27a0335e956078a34a88d6b_10_La2Th1U1N4 |
[
"Br",
"K",
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"Ti"
] | 5 | A2BCD | BrKTe2Ti | K1 Ti1 Te2 Br1 | 4 | [
1,
1,
1
] | 3 | [
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0,
0
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0,
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"K",
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0,
0,
0
],
[
0,
0,
0
]
] | 0.001166 | 2.330775 | pbe | true | 1b005cb2e393692cccaa1485e131c8e7_123_K1Ti1Te2Br1 |
[
"Mn",
"Nb",
"Si",
"Ta"
] | 5 | A2BCD | MnNbSiTa2 | Ta2 Mn1 Nb1 Si1 | 4 | [
1,
1,
1
] | 3 | [
[
4.64064668,
0,
0
],
[
0,
4.18161392,
0
],
[
0,
0,
4.64064668
]
] | agm001446021 | [
[
2.32032334,
2.09080696,
2.32032334
],
[
0,
0,
0
],
[
0,
2.09080696,
0
],
[
0,
0,
2.32032334
],
[
2.32032334,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Nb",
"Mn",
"Si",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.7761338,
0,
0
],
[
0,
2.8909857,
0
],
[
0,
0,
2.7761338
]
] | -45.227276 | [
0,
0,
0,
-0.001,
0.001
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.26249 | pbe | true | d9da040665d521e3df3948d8454a9740_123_Ta2Mn1Nb1Si1 |
[
"Ge",
"N",
"Ta"
] | 4 | A2BC | GeN2Ta | Ta1 Ge1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.78834934,
2.78834934
],
[
2.78834934,
0,
2.78834934
],
[
2.78834934,
2.78834934,
0
]
] | agm002708064 | [
[
0,
0,
0
],
[
1.39417467,
1.39417467,
1.39417467
],
[
4.18252401,
4.18252401,
4.18252401
],
[
2.78834934,
2.78834934,
2.78834934
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Ge",
"N",
"N",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.1441245,
0,
0
],
[
0,
5.1441245,
0
],
[
0,
0,
5.1441245
]
] | -30.277545 | [
0.054,
0.007,
0.007,
0.634
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.922367 | 1.88431 | pbe | true | 0ca172fa9649543b488af251b403f719_225_Ta1Ge1N2 |
[
"Mo",
"Ta"
] | 4 | AB | MoTa | Ta2 Mo2 | 2 | [
1,
1,
1
] | 3 | [
[
4.17583506,
0,
0
],
[
-2.08791753,
3.61637924,
0
],
[
0,
0,
5.20339039
]
] | agm004116400 | [
[
0,
0,
0
],
[
0,
0,
2.601695195
],
[
-2.0879175468066956e-8,
2.410919505387931,
1.3008475975
],
[
2.087917550879175,
1.2054597346120692,
3.9025427925000002
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
"Mo",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
7.221756,
0,
0
],
[
0,
7.221756,
0
],
[
0,
0,
8.121388
]
] | -42.100402 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 4.429104 | pbe | true | 3016710c4ca7fe6036ba7d9d1d23aed4_194_Ta2Mo2 |
[
"Au",
"Ru",
"Sc"
] | 4 | A2BC | Au2RuSc | Sc1 Ru1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
5.13049757,
-0.00624296,
-0.01363777
],
[
2.00856447,
4.72098643,
0.01363776
],
[
-3.56266918,
-2.36776338,
2.83254568
]
] | agm004352056 | [
[
7.138792825970472,
4.714565677023747,
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],
[
0.007131054029528627,
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2.832545674999623
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[
2.568679705,
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1.4094539525
],
[
1.007713155,
2.3552973925,
1.4230917175
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Au",
"Ru",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.9953966,
0.09931469,
0.08155826
],
[
0.09931469,
5.9106035,
-0.12349847
],
[
0.08155826,
-0.12349847,
5.8422832
]
] | -23.439309 | [
0.044,
0.044,
0.684,
-0.029
] | [
[
0.00154648,
0.00102132,
0
],
[
-0.00154648,
-0.00102132,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.789666 | 4.294573 | pbe | true | 5fd212d8e249ebfc89ad680e04aa8b27_139_Sc1Ru1Au2 |
[
"Bi",
"O",
"Rh"
] | 9 | A6B2C | Bi2O6Rh | Bi2 Rh1 O6 | 3 | [
1,
1,
1
] | 3 | [
[
3.83212163,
0.00026712,
-0.14889187
],
[
0.00034977,
5.36354971,
-0.00063861
],
[
-1.70089034,
-2.6825519,
5.62868038
]
] | agm003487515 | [
[
1.9866511355897936,
2.681623251124085,
1.7429765096120962
],
[
0.14492992441020713,
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3.7361733903879037
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[
0,
0,
0
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[
0.06448677129857242,
1.2765144583816512,
1.6499100890700054
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[
2.0677646093476323,
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3.8302402089585805
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[
2.0670942887014276,
1.4047504716183485,
3.829239810929994
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[
0.21581939203685124,
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5.553986692236826
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[
0.0638164506523682,
4.086326895786734,
1.6489096910414192
],
[
1.9157616679631488,
4.226284791482296,
-0.0748367922368269
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Bi",
"Bi",
"Rh",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
0.9727775,
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0.00709781
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[
0.04518616,
1.0414222,
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],
[
0.00709776,
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1.2192289
]
] | -51.196773 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00006966,
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[
0.00006966,
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[
0,
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0
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[
0.0007401,
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[
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[
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[
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[
-0.00126789,
0.00052453,
-0.00374576
],
[
-0.00091446,
0.00018973,
-0.00065708
]
] | -0.000059 | 6.560451 | pbe | true | fddbad0a2221bbfab5aa8587394445c7_71_Bi2Rh1O6 |
[
"Bi",
"Os",
"Th"
] | 19 | A12B6C | Bi6OsTh12 | Th12 Bi6 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
8.79559687,
-0.04576788,
-0.05482882
],
[
-1.37868097,
8.6869936,
-0.05482882
],
[
-1.37868097,
-1.60625975,
8.53737627
]
] | agm003693290 | [
[
5.526525514196617,
4.279791693155377,
3.8823336343030213
],
[
2.1819211193499974,
5.92580607084731,
4.904656793410608
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[
3.3924834551039167,
2.7277621191984043,
6.706861070781746
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[
0.5117094158033842,
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[
3.8563138106500037,
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2.7611309545533973,
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[
4.268928457743755,
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[
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[
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2.7288985330781257
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[
1.7693064722562457,
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5.727557402273858
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[
0.7181300115933492,
4.428992294197908,
7.505086597015461
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[
6.40778071191365,
1.7093285720970364,
5.698820096921874
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Os"
] | 2023-11-16 06:57:59 | [
0.3157894736842105,
0.05263157894736842,
0.631578947368421
] | [
[
0.6514032,
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[
-0.00403763,
0.65016466,
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],
[
-0.00483696,
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0.64811766
]
] | -126.648309 | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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0.00176421,
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[
-0.00453529,
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[
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[
-0.00176421,
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[
0.00453529,
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[
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[
0.00163889,
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[
0.00095621,
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[
0.00166553,
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[
-0.00163889,
0.00143364,
-0.00097832
],
[
0,
0,
0
]
] | 0.000375 | 22.161898 | pbe | true | f52510b7541db2b78ba7510d14c4b1a8_148_Th12Bi6Os1 |
[
"Cd",
"Re",
"Sn"
] | 8 | A2BC | Cd2ReSn | Cd4 Re2 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
8.29680065,
0,
0
],
[
0,
8.29680065,
0
],
[
4.14840032,
4.14840032,
2.69210233
]
] | agm002813239 | [
[
0,
0,
0
],
[
8.2968006475,
4.148400322500001,
1.346051165
],
[
4.148400325,
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0
],
[
4.148400322500001,
8.2968006475,
1.346051165
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[
6.604346074381267,
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[
1.692454573118733,
6.22260048625,
0.6730255825
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[
6.22260048375,
5.840854895618733,
2.0190767474999998
],
[
10.37100080875,
10.752746396881268,
2.0190767474999998
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"Re",
"Re",
"Sn",
"Sn",
"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.5390935,
0,
0
],
[
0,
6.5390935,
0
],
[
0,
0,
6.409237
]
] | -30.020531 | [
0.889,
0.894,
-0.029,
-0.03,
0.009,
0.009,
0.004,
0.006
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
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[
0.00268381,
0,
0
],
[
-0.00268381,
0,
0
],
[
0,
-0.00268381,
0
],
[
0,
0.00268381,
0
]
] | 2.000271 | 0.486849 | pbe | true | 50b5c4b738b5d12ddcf6a030293a5513_122_Cd4Re2Sn2 |
[
"Cd",
"Tc"
] | 4 | AB | CdTc | Cd2 Tc2 | 2 | [
1,
1,
1
] | 3 | [
[
2.84299537,
0,
0
],
[
-1.42149768,
2.46210621,
0
],
[
0,
0,
9.7660921
]
] | agm003872660 | [
[
0,
0,
0
],
[
0,
0,
4.88304605
],
[
-1.088164362626214e-8,
1.6414041482070207,
2.441523025
],
[
1.4214977008816436,
0.8207020617929792,
7.324569074999999
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"Cd",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
6.995088,
0,
0
],
[
0,
6.995088,
0
],
[
0,
0,
7.0356674
]
] | -20.443569 | [
0,
0,
0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001804 | 4.981503 | pbe | true | 529486b3ccf8f14eb00261979ff466f4_194_Cd2Tc2 |
[
"As",
"Br",
"In"
] | 6 | A3B2C | As2BrIn3 | In3 As2 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
8.8025516,
-5e-8,
0
],
[
-3.2e-7,
4.11163446,
0
],
[
0,
0,
17.76911139
]
] | agm2000072019 | [
[
6.2269283264145585,
3.65513502804906,
10.513288081825422
],
[
2.5756233208208585,
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[
3.15217372e-7,
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],
[
1.6580308173614198,
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[
7.14452065289237,
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[
4.401276027559209,
1.6002333871806314,
9.041116492399468
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"In",
"In",
"In",
"As",
"As",
"Br"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
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[
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0
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[
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[
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] | -18.222255 | [
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[
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[
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]
] | 0 | 0.864123 | pbe | true | dd1c1ff39bbf2f51ed6e58e646bbd0bb_6_In3As2Br1 |
[
"Ag",
"Cu",
"Er",
"La"
] | 4 | ABCD | AgCuErLa | La1 Er1 Cu1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16508484,
0,
0
],
[
2.58254242,
4.47309469,
0
],
[
2.58254242,
1.49103156,
4.21727411
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] | agm001340426 | [
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2.108637055
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[
2.58254242,
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[
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[
0,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"La",
"Cu",
"Ag",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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[
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0
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[
0,
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0
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[
0,
0,
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] | -17.246175 | [
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[
0,
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0
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[
0,
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[
0,
0,
0
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] | -0.003577 | 4.377487 | pbe | true | 850ad3266917e81508c3750610ca2563_216_La1Er1Cu1Ag1 |
[
"Ag",
"Cu",
"Pd",
"Sm"
] | 4 | ABCD | AgCuPdSm | Sm1 Cu1 Ag1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78269947,
0,
0
],
[
2.39134973,
4.14193924,
0
],
[
2.39134973,
1.38064641,
3.90505776
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] | agm001340233 | [
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[
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] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Pd",
"Ag",
"Sm",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
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[
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[
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[
0,
0,
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0,
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000001 | 1.863635 | pbe | true | a579592318803b1448dc4ab4664f0043_216_Sm1Cu1Ag1Pd1 |
[
"Al",
"Cu",
"Os",
"Pa"
] | 4 | ABCD | AlCuOsPa | Pa1 Al1 Cu1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.64124457,
0,
0
],
[
2.32062228,
4.0194357,
0
],
[
2.32062228,
1.3398119,
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[
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[
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Pa",
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"Al",
"Cu"
] | 2023-11-16 06:57:59 | [
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0.25,
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[
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0
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[
0,
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[
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0,
0
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] | -0.000019 | 2.783234 | pbe | true | 3fb0155bc19957de5d37a4b99f4ca4e8_216_Pa1Al1Cu1Os1 |
[
"Er",
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"Pd",
"Pr"
] | 10 | A4B3C2D | ErGe3Pd4Pr2 | Pr2 Er1 Ge3 Pd4 | 4 | [
1,
1,
1
] | 3 | [
[
4.31203054,
0,
0
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[
0,
4.31203054,
0
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[
0,
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11.18299854
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Pr",
"Pr",
"Er",
"Ge",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.1,
0.3,
0.4,
0.2
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0
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[
0,
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0
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[
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] | -57.247013 | [
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[
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[
0,
0,
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[
0,
0,
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]
] | 0 | 7.462009 | pbe | true | eaba1e7ef1429958bcb9b11052d7289b_115_Pr2Er1Ge3Pd4 |
[
"C",
"Cl",
"La",
"P"
] | 5 | A2BCD | CClLaP2 | La1 P2 C1 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
4.05189024,
0,
0
],
[
0,
4.05189024,
0
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[
0,
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5.4753539
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[
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"C",
"Cl",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
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[
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[
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] | -26.770989 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 1.279968 | pbe | true | 066db17a3130027ff56f72a9c4e0f756_123_La1P2C1Cl1 |
[
"Al",
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"O",
"Sr"
] | 15 | A9B3C2D | Al2GeO9Sr3 | Sr3 Al2 Ge1 O9 | 4 | [
1,
1,
1
] | 3 | [
[
5.43562578,
0,
0
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[
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0
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[
0,
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[
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0
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
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"Al",
"Al",
"Ge",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.13333333333333333,
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0.6,
0.2
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0,
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[
0,
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0
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[
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] | -99.108816 | [
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0.007,
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0.007,
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[
0,
0,
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[
0,
0,
0
]
] | 0.138765 | 8.982189 | pbe | true | 868da4d42fef47fb734041dcf5db3c1c_164_Sr3Al2Ge1O9 |
[
"Ba",
"Cu",
"O",
"Pr",
"Ru"
] | 9 | A5BCDE | BaCuO5PrRu | Ba1 Cu1 O5 Pr1 Ru1 | 5 | [
1,
1,
1
] | 3 | [
[
3.96343418,
0,
0
],
[
0,
3.96343418,
0
],
[
0,
0,
7.670445039
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] | oqmd-9127614 | [
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[
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ba",
"Cu",
"O",
"O",
"O",
"O",
"O",
"Pr",
"Ru"
] | 2024-11-01 00:00:00 | [
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0.5555555555555556,
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[
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] | -59.5945 | [
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0.002,
0.032,
0.141,
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0.637
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[
0,
0,
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[
0,
0,
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] | 0.872245 | null | pbe | false | 96784c595b16ba6fae12c93e5adcc444_99_Ba1Pr1Cu1Ru1O5 |
[
"Ac",
"Co",
"Pr"
] | 4 | A2BC | Ac2CoPr | Ac2 Pr1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.08623151,
0.00003511,
-1.0387533
],
[
-0.38183314,
5.37232428,
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],
[
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6.95353061
]
] | agm005596670 | [
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[
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Ac",
"Ac",
"Pr",
"Co"
] | 2023-11-16 06:57:59 | [
0.5,
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[
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]
] | -20.150059 | [
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0
] | [
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[
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0
]
] | 0 | 4.636582 | pbe | true | 4cbe676b0a0a51c790cd165c7202b8a7_71_Ac2Pr1Co1 |
[
"Cs",
"La",
"Mo"
] | 4 | A2BC | CsLaMo2 | Cs1 La1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.69409841,
3.69409841
],
[
3.69409841,
0,
3.69409841
],
[
3.69409841,
3.69409841,
0
]
] | agm002702751 | [
[
0,
0,
0
],
[
1.847049205,
1.847049205,
1.847049205
],
[
5.541147615,
5.541147615,
5.541147615
],
[
3.69409841,
3.69409841,
3.69409841
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Mo",
"Mo",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.2576585,
0,
0
],
[
0,
4.2576585,
0
],
[
0,
0,
4.2576585
]
] | -19.989339 | [
0.068,
1.544,
1.544,
0.036
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.619955 | 5.031395 | pbe | true | 649ed06e229f6770e25bee3a51d1a944_225_Cs1La1Mo2 |
[
"Cu",
"Na",
"Pu"
] | 6 | A4BC | Cu4NaPu | Na1 Pu1 Cu4 | 3 | [
1,
1,
1
] | 3 | [
[
5.19757186,
0,
0
],
[
2.59878593,
4.50122927,
0
],
[
2.59878593,
1.50040976,
4.24379966
]
] | agm001180535 | [
[
0,
0,
0
],
[
5.19757445878593,
3.0008180133327906,
0.5209873492281175
],
[
5.19757445878593,
1.4914642557668458,
2.6555359089907404
],
[
6.504713157226012,
3.7554948946306657,
2.6555359089907404
],
[
3.8904357603458464,
3.7554948946306657,
2.6555359089907404
],
[
2.59878593,
1.5004097575,
1.060949915
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Na",
"Cu",
"Cu",
"Cu",
"Cu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
-6.2788215,
0,
0
],
[
0,
-6.2788215,
0
],
[
0,
0,
-6.2788215
]
] | -31.270482 | [
0.023,
0.07,
0.07,
0.07,
0.07,
5.512
] | [
[
0,
0,
0
],
[
0,
0,
0.0006546
],
[
0,
0.00061716,
-0.0002182
],
[
-0.00053447,
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-0.0002182
],
[
0.00053447,
-0.00030858,
-0.0002182
],
[
0,
0,
0
]
] | 6.506993 | 17.248014 | pbe | true | 8533d86074e2a49aad196c014909f95b_216_Na1Pu1Cu4 |
[
"As",
"Au",
"Cr",
"H"
] | 5 | A2BCD | AsAu2CrH | Cr1 As1 H1 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
3.88430803,
0,
0
],
[
0,
5.12867906,
0
],
[
0,
0,
3.88430803
]
] | agm001475302 | [
[
1.942154015,
2.56433953,
1.942154015
],
[
0,
2.56433953,
0
],
[
0,
0,
1.942154015
],
[
1.942154015,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Cr",
"As",
"Au",
"Au",
"H"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
5.950147,
0,
0
],
[
0,
5.6589193,
0
],
[
0,
0,
5.950147
]
] | -22.55153 | [
3.499,
-0.193,
0.047,
-0.01,
0.007
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.547051 | 1.834485 | pbe | true | f04151f5d8aaf8b2c0d06f90ef9f66e6_123_Cr1As1H1Au2 |
[
"As",
"Be",
"Mn",
"Rb"
] | 5 | A2BCD | As2BeMnRb | Rb1 Mn1 Be1 As2 | 4 | [
1,
1,
1
] | 3 | [
[
4.77097573,
0,
0
],
[
0,
4.45000573,
0
],
[
0,
0,
4.77097573
]
] | agm001438551 | [
[
0,
0,
0
],
[
0,
0,
2.385487865
],
[
2.385487865,
0,
0
],
[
0,
2.225002865,
0
],
[
2.385487865,
2.225002865,
2.385487865
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"Be",
"As",
"As",
"Mn",
"Rb"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.834071,
0,
0
],
[
0,
2.2049785,
0
],
[
0,
0,
3.834071
]
] | -19.020203 | [
-0.007,
0.017,
0.015,
-0.035,
0.007
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.049504 | 4.813982 | pbe | true | 44b1ed0015f4bf498441b37fcd5f95ad_123_Rb1Mn1Be1As2 |
[
"Au",
"Np",
"Pd",
"Ru"
] | 4 | ABCD | AuNpPdRu | Np1 Ru1 Pd1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.66715622,
0,
0
],
[
2.33357811,
4.04187585,
0
],
[
2.33357811,
1.34729195,
3.8107171
]
] | agm001911900 | [
[
4.66715622,
2.6945839,
1.90535855
],
[
2.33357811,
1.34729195,
0.952679275
],
[
0,
0,
0
],
[
7.00073433,
4.04187585,
2.8580378250000003
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Np",
"Ru",
"Au",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
7.6254487,
0,
0
],
[
0,
7.6254487,
0
],
[
0,
0,
7.6254487
]
] | -31.078062 | [
3.423,
-0.662,
-0.005,
-0.081
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.843373 | 6.289932 | pbe | true | fd83225c2a4ef044a49059f7fab50541_216_Np1Ru1Pd1Au1 |
[
"F",
"K",
"Ni"
] | 10 | A3BC | F3KNi | K2 Ni2 F6 | 3 | [
1,
1,
1
] | 3 | [
[
3.20954864,
-1e-8,
5.74123177
],
[
-1.60477431,
2.77955066,
5.74123177
],
[
-1.60477433,
-2.77955065,
5.74123177
]
] | agm003063050 | [
[
6.868174888159331e-17,
2.6437441647956916e-17,
5.804786976044629
],
[
4.2340553580922345e-17,
-1.3745974411047257e-16,
11.41890833395537
],
[
-7.699913589910778e-18,
-2.5822616405800858e-17,
2.3821224909017373
],
[
-1.1429210484152748e-16,
1.5848179588060418e-16,
14.84157281909826
],
[
0.3160135169994561,
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6.886779802480417
],
[
-1.6391611171298854,
0.5814691328136063,
6.886779802480417
],
[
-1.3231476001304294,
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10.336915507519581
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[
1.6391611171298854,
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10.336915507519583
],
[
-0.3160135169994562,
1.7102897339981957,
10.336915507519581
],
[
1.3231476001304292,
1.1288206011845892,
6.886779802480418
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Ni",
"K",
"K",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.8557541,
-2.5e-7,
0
],
[
2.5e-7,
1.8557541,
0
],
[
0,
0,
1.9267246
]
] | -42.780725 | [
1.833,
1.833,
0.001,
0.001,
0.048,
0.047,
0.047,
0.047,
0.048,
0.047
] | [
[
0,
0,
-0.00045766
],
[
0,
0,
0.00045766
],
[
0,
0,
0.00193285
],
[
0,
0,
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[
-0.00183961,
0.00086415,
0.001926
],
[
0.00166818,
0.00116108,
0.001926
],
[
-0.00017143,
0.00202522,
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],
[
-0.00166818,
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-0.001926
],
[
0.00183961,
-0.00086415,
-0.001926
],
[
0.00017143,
-0.00202522,
0.001926
]
] | 4.000004 | 0 | pbe | true | 1699a238f6f925518172bffbe3be33c8_148_K2Ni2F6 |
[
"Au",
"Pd",
"Sb",
"Y"
] | 12 | A7B2C2D | Au2Pd7Sb2Y | Y1 Sb2 Pd7 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
4.11487325,
0.02074018,
0.31601864
],
[
0.02575768,
4.1148449,
0.31601864
],
[
3.17293813,
3.16907152,
13.39472649
]
] | agm004592197 | [
[
0,
0,
0
],
[
3.8208575397975832,
3.816201368836053,
4.806684388512096
],
[
3.492711520202416,
3.4884552311639463,
9.220079381487905
],
[
2.0703154649999997,
2.0677925399999997,
0.31601864
],
[
2.615750034687432,
2.612562428716982,
6.859212603930563
],
[
4.697819025312568,
4.692094171283018,
7.167551166069438
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[
3.9718482928846415,
1.9232510220699994,
2.5450437169594786
],
[
1.9280927105771641,
3.9695002006060296,
2.5450437169594786
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[
5.385476349422835,
3.33515639939397,
11.48172005304052
],
[
3.341720767115358,
5.38140557793,
11.48172005304052
],
[
5.546705196025828,
5.539945871911647,
9.704366030928382
],
[
1.7668638639741718,
1.764710728088353,
4.322397739071619
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Sb",
"Sb",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5833333333333334,
0.16666666666666666,
0.08333333333333333
] | [
[
4.5526543,
0.03909676,
-0.03212194
],
[
0.03909676,
4.552559,
-0.0320828
],
[
-0.03212208,
-0.03208293,
4.5430965
]
] | -62.481621 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00004207,
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0.00019824
],
[
0.00004207,
0.00004202,
-0.00019824
],
[
0,
0,
0
],
[
-0.00150615,
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0.00081787
],
[
0.00150615,
0.00150432,
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],
[
0.00174808,
0.00152161,
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],
[
0.00152375,
0.00174622,
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],
[
-0.00152375,
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0.00293728
],
[
-0.00174808,
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0.00293728
],
[
0.00022583,
0.00022556,
0.00044058
],
[
-0.00022583,
-0.00022556,
-0.00044058
]
] | 0.000009 | 4.989313 | pbe | true | fd0010ebc8d7aa5a7c1161131a0717a2_65_Y1Sb2Pd7Au2 |
[
"Ir",
"Mg",
"Sc"
] | 5 | A3BC | Ir3MgSc | Mg1 Sc1 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
4.70335001,
0,
0
],
[
0,
4.70335001,
0
],
[
0,
0,
4.70335001
]
] | agm002523329 | [
[
0,
0,
0
],
[
2.351675005,
2.351675005,
2.351675005
],
[
0,
2.351675005,
0
],
[
0,
0,
2.351675005
],
[
2.351675005,
0,
0
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Mg",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.178354,
0,
0
],
[
0,
3.178354,
0
],
[
0,
0,
3.178354
]
] | -29.181479 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 7.264614 | pbe | true | 33e04a1d177741d4c8087736e522883e_221_Mg1Sc1Ir3 |
[
"H",
"Hf",
"I"
] | 11 | A7B2C2 | H2Hf2I7 | Hf2 H2 I7 | 3 | [
1,
1,
1
] | 3 | [
[
4.22771562,
6.4569045,
-0.16126105
],
[
-4.22771562,
6.4569045,
-0.16126105
],
[
0,
-0.07179917,
7.79867364
]
] | agm005570323 | [
[
-4.187999265002419e-17,
9.73542138575885,
7.235608877203516
],
[
-6.282193170272165e-17,
3.1065884442411513,
0.24054266279648379
],
[
-2.459609356160714,
6.421004915,
3.73807577
],
[
2.459609356160714,
6.421004914999999,
3.73807577
],
[
-1.8250098786611748,
9.026887340876305,
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],
[
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],
[
1.8250098786611746,
3.815122489123694,
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[
1.8250098786611746,
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[
0,
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],
[
1.625154857345251e-16,
7.351732034462676,
5.970692401023451
],
[
5.95291191905062e-17,
5.490277795537324,
1.5054591389765497
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"Zr",
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[
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[
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] | 0 | 20.448933 | pbe | true | c2f9193e1525aec1774a6e97bc547f28_62_Nd8Mg16Ag8 |
[
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1
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] | 0 | -0.003842 | pbe | true | b672224b6f382f8207ff2b08af34f994_12_H4I2Br2 |
[
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1
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] | -75.777257 | [
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0,
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[
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[
0,
-0.00560884,
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[
0,
0.00560884,
0.02939054
]
] | -0 | 4.187808 | pbe | true | 300dc46d63644df1f5c45e35f517869a_62_Th4Ni4Sn4 |
[
"Al",
"Rh",
"Zr"
] | 5 | A3BC | Al3RhZr | Zr1 Al3 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.60371284,
0,
0
],
[
0,
4.60371284,
0
],
[
0,
0,
4.60371284
]
] | agm002396820 | [
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[
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[
0,
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[
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[
2.30185642,
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] | [{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Al",
"Al",
"Al",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.6187816,
0,
0
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[
0,
2.6187816,
0
],
[
0,
0,
2.6187816
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] | -27.730528 | [
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 3.600802 | pbe | true | 152551db09ad082fb20e6a78371061b7_221_Zr1Al3Rh1 |
[
"Al",
"Si",
"Tl"
] | 4 | A2BC | AlSiTl2 | Al1 Tl2 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
3.37982092,
0,
0
],
[
0,
5.31472583,
0
],
[
0,
0,
5.3140781
]
] | agm004330328 | [
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[
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0
],
[
0,
2.657362915,
2.65703905
],
[
1.68991046,
0,
2.65703905
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Tl",
"Tl",
"Si",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0
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[
0,
3.5933673,
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[
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]
] | -11.997967 | [
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.49684 | pbe | true | 73701efe5ded19f0ecefe8a53833b450_47_Al1Tl2Si1 |
[
"Pd",
"Tb",
"Y"
] | 8 | A2BC | Pd2TbY | Pd2 Tb1 Y1 | 3 | [
1,
1,
1
] | 3 | [
[
4.487671077,
0,
0
],
[
0,
6.920624088,
0
],
[
0,
0,
5.712872353
]
] | oqmd-6866875 | [
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0,
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[
0,
4.88652,
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[
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[
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[
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[
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3.6636
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Pd",
"Pd",
"Pd",
"Pd",
"Tb",
"Tb",
"Y",
"Y"
] | 2024-11-01 00:00:00 | [
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0.25,
0.25
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[
31.48698729,
0,
0
],
[
0,
26.11186139,
0
],
[
0,
0,
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0,
0,
0,
0,
-0.001,
-0.001,
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-0.001
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[
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[
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[
0,
0.000135,
0.022597
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[
0,
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]
] | -0.015962 | null | pbe | true | 727d51cea05017c9f7091b7704b06c4b_31_Tb2Y2Pd4 |
[
"Al",
"Ir",
"Nd",
"Zn"
] | 8 | A4B2CD | Al4IrNdZn2 | Nd1 Al4 Zn2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.3095098,
0,
0
],
[
2.1547549,
3.73214497,
0
],
[
2.1547549,
1.24404832,
9.26898987
]
] | agm004802591 | [
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0
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[
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[
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[
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] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"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"]}] | [
"Nd",
"Al",
"Al",
"Al",
"Al",
"Zn",
"Zn",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.125,
0.25
] | [
[
1.5794494,
0,
0
],
[
0,
1.5794494,
0
],
[
0,
0,
0.8835356
]
] | -34.387552 | [
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0,
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.000001 | 2.396937 | pbe | true | e057c966470648892f39a1029c2897ae_166_Nd1Al4Zn2Ir1 |
[
"Cr",
"La",
"Si"
] | 6 | A3B2C | Cr3LaSi2 | La1 Cr3 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
3.9359403,
0,
0
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[
0,
5.2769304,
0
],
[
0,
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[
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[
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2.6384652263846524,
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[
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] | [{"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Cr",
"Cr",
"Cr",
"Si",
"Si",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
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[
0,
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0
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[
0,
0,
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0.276,
0.276,
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.831285 | 7.74476 | pbe | true | 82bc8238e965e5967d9f94d132b70da7_191_La1Cr3Si2 |
[
"B",
"Fe",
"Mn",
"P"
] | 4 | ABCD | BFeMnP | Mn1 Fe1 B1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
2.8918092,
-0.01049852,
-0.00010111
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[
-1.43304737,
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[
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] | agm002126241 | [
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"B",
"Mn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
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[
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[
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[
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] | -0.000097 | 2.397945 | pbe | true | 63f3ae482cec30bddc520fe3338e9eaf_8_Mn1Fe1B1P1 |
[
"Mn",
"Np",
"O",
"Zr"
] | 18 | A6BCD | MnNpO6Zr | Zr2 Np2 Mn2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.57632025,
0,
0
],
[
-2.78816012,
4.82923499,
0
],
[
0,
0,
9.15274332
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] | agm005082743 | [
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[
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] | [{"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": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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] | 11.999999 | 0.404085 | pbe | true | 07345c15110f6497bab0e6fbb6e818bf_163_Zr2Np2Mn2O12 |
[
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"Cs",
"O",
"Ti"
] | 14 | A4BCD | CrCsO4Ti | Cs2 Ti2 Cr2 O8 | 4 | [
1,
1,
1
] | 3 | [
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5.34188521,
0,
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[
0,
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0
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[
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] | agm005048927 | [
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
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"Ti",
"Ti",
"Cr",
"Cr",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
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[
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3.002,
3.002,
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[
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0,
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] | 5.999999 | 0 | pbe | true | d0125e2af34111a319e71a759eb38704_11_Cs2Ti2Cr2O8 |
[
"Al",
"Ir",
"Tl"
] | 4 | A2BC | AlIr2Tl | Al1 Tl1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.02790565,
0,
0
],
[
0,
3.01780545,
0.03520763
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[
0,
2.75069171,
7.10908157
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] | agm004394234 | [
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"Tl",
"Ir",
"Ir",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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[
0,
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] | -24.560422 | [
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[
0,
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[
0,
0,
0
]
] | -0 | 1.232501 | pbe | true | 1e7d1e31f575f978ec7e14ccf70571d4_10_Al1Tl1Ir2 |
[
"Al",
"Na",
"Zr"
] | 16 | A2BC | Al2NaZr | Na4 Zr4 Al8 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
-0.00686332
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[
0,
4.06074067,
0
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[
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] | agm002108249 | [
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
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"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
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[
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[
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[
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] | -0.000014 | 6.803403 | pbe | true | a1a8e85361ba71b9700146605b6bfe11_12_Na4Zr4Al8 |
[
"As",
"F",
"Hg"
] | 12 | A4BC | AsF4Hg | Hg2 As2 F8 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.49998342,
0
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[
0,
0,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"Hg",
"Hg",
"As",
"As",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
0,
0,
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[
-0.00000273,
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0.00343729
]
] | 0 | 2.53574 | pbe | true | 62e638f3740423b63de994077a797760_31_Hg2As2F8 |
[
"As",
"Hf",
"S"
] | 4 | A2BC | AsHfS2 | Hf1 As1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.24376337,
3.24376337
],
[
3.24376337,
0,
3.24376337
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[
3.24376337,
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]
] | agm002728431 | [
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0,
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[
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"As",
"Hf",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0
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[
0,
1.0917349,
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[
0,
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] | -24.198686 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.873404 | pbe | true | 571de98f1dfacbc1048585ab985e52c3_225_Hf1As1S2 |
[
"H",
"Ho",
"Ir",
"Mg"
] | 12 | A8B2CD | H8HoIr2Mg | Ho1 Mg1 H8 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
4.68223343,
0.00000729,
0
],
[
2.3411104,
4.05493674,
0
],
[
2.34111461,
1.35164801,
5.39338554
]
] | agm004875975 | [
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4.68222922,
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0
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ho",
"Mg",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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] | -53.103367 | [
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[
0,
0,
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[
0,
0,
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]
] | -0.00002 | 1.894133 | pbe | true | 4757528d972680489362d6297f66c24f_166_Ho1Mg1H8Ir2 |
[
"La",
"Nd",
"Tb",
"Y"
] | 12 | A2B2CD | LaNdTb2Y2 | La2 Tb4 Nd2 Y4 | 4 | [
1,
1,
1
] | 3 | [
[
3.40987149,
0,
0
],
[
0,
6.67624433,
0
],
[
0,
0,
18.03713036
]
] | agm004738262 | [
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[
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[
0,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"La",
"La",
"Tb",
"Tb",
"Tb",
"Tb",
"Nd",
"Nd",
"Y",
"Y",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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0
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[
0,
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0
],
[
0,
0,
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]
] | -60.391253 | [
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0.001,
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0.001,
0.001,
0,
0,
0.001,
0.001,
0.001,
0.001
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[
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[
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[
0,
0.00045205,
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],
[
0,
-0.00045205,
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]
] | 0.006899 | 22.161398 | pbe | true | 436cc1965145500a21cabb99b69e4f02_58_La2Tb4Nd2Y4 |
[
"Ga",
"Mg",
"Tl"
] | 13 | A8B3C2 | Ga2Mg8Tl3 | Mg8 Tl3 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
4.70595999,
-0.00001499,
0.00006743
],
[
0.00003178,
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[
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[
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1,
1,
1
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] | 0.000008 | 3.328646 | pbe | true | 7d82322533c36b456164808d944c5f2b_1_Sr2La2B2 |
[
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1,
1,
1
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[
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1,
1,
1
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] | 0 | 1.129905 | pbe | true | 73761cb903ff786a86c636c3c35b016a_123_Cu1Ag2Hg1H1 |
[
"Bi",
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] | 5 | A3BC | BiCs3S | Cs3 Bi1 S1 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
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] | 2 | 11.518571 | pbe | true | c8008e22607596e0a7a89c502b87af92_221_Cs3Bi1S1 |
[
"Cd",
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1,
1,
1
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[
3.53450725,
0,
0
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[
0,
4.78875868,
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] | 0.51005 | 5.162321 | pbe | true | 58115f4a346a5ea1503b79d096092672_123_Ce1Cd1Pt2 |
[
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1,
1,
1
] | 3 | [
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] | 0 | 1.796855 | pbe | true | c54fb7c16f61932cd55018cf3c7b230d_139_Zn2In1Ag2 |
[
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1,
1,
1
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[
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1,
1
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[
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1,
1,
1
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[
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1,
1
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] | -6.995589 | 7.871229 | pbe | true | ffd54ba6f3c7f3888fd80aca98be9c55_216_Tb1Eu1Mg1Pd1 |
[
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1,
1,
1
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] | -0 | 0 | pbe | true | 9bbbe9e73676bf20136ed1fb296f7454_82_Na1Zn1As1O4 |
[
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1,
1,
1
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] | 2.000001 | 6.647611 | pbe | true | 70dc6502c0fe48bb99ce87085c5f760e_65_La1Hf2Np1O8 |
[
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1,
1,
1
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] | 0.960043 | 9.33674 | pbe | true | ba29f2717e551236bbd88bb437b367bd_166_Ba2Pr1Be2O6 |
[
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1,
1,
1
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[
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1
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] | 0 | 0 | pbe | true | 14d9490c44eb766af8fe05921f627550_12_Er2Tm1Ag3Se6 |
[
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1,
1
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