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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.67002776,
0.03455318,
0
],
[
-1.06325012,
4.54751057,
0
],
[
0,
0,
2.89564293
]
] | agm004130322 | [
[
2.33501388,
0.01727659,
1.447821465
],
[
-0.53162506,
2.273755285,
1.447821465
],
[
0,
0,
0
],
[
1.80338882,
2.291031875,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"Cl",
"Cl"
] | 2024-04-25 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.02230335,
-0.01714463,
0
],
[
-0.01714463,
-0.03058853,
0
],
[
0,
0,
-0.26553541
]
] | -20.904909 | -22.132909 | [
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0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130322-pbe-8 | 8 | 0 |
[
"Cl",
"Fe",
"W"
] | 4 | A2BC | ClFeW | Fe W Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.67002776,
0.03455318,
0
],
[
-1.06325012,
4.54751057,
0
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[
0,
0,
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]
] | agm004130322 | [
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1.447821465
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[
0,
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0
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[
1.80338882,
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0
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Fe",
"W",
"Cl",
"Cl"
] | 2024-04-25 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.00266344,
-0.08453199,
0
],
[
-0.08453199,
-0.04351373,
0
],
[
0,
0,
-0.31344184
]
] | -20.905082 | -22.133082 | [
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0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130322-pbe-9 | 9 | 1 |
[
"As",
"Br"
] | 4 | A3B | AsBr | As Br3 | 2 | [
1,
1,
1
] | 3 | [
[
5.2918834,
0,
0
],
[
0,
5.2918834,
0
],
[
0,
0,
5.2918834
]
] | agm004130323 | [
[
0,
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[
2.6459417,
0,
0
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[
0,
2.6459417,
0
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[
0,
0,
2.6459417
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"As",
"Br",
"Br",
"Br"
] | 2024-04-26 00:00:00 | [
0.25,
0.75
] | [
[
0.87864387,
0,
0
],
[
0,
0.87864387,
0
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[
0,
0,
0.87864387
]
] | -10.558512 | -12.160512 | [
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0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 221 | agm004130323-pbe-0 | 0 | 0 |
[
"As",
"Br"
] | 4 | A3B | AsBr | As Br3 | 2 | [
1,
1,
1
] | 3 | [
[
5.29707038,
0,
0
],
[
0,
5.29707038,
0
],
[
0,
0,
5.29707038
]
] | agm004130323 | [
[
0,
0,
0
],
[
2.64853519,
0,
0
],
[
0,
2.64853519,
0
],
[
0,
0,
2.64853519
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"As",
"Br",
"Br",
"Br"
] | 2024-04-26 00:00:00 | [
0.25,
0.75
] | [
[
-0.03539635,
0,
0
],
[
0,
-0.03539635,
0
],
[
0,
0,
-0.03539635
]
] | -10.558623 | -12.160623 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 221 | agm004130323-pbe-1 | 1 | 0 |
[
"As",
"Br"
] | 4 | A3B | AsBr | As Br3 | 2 | [
1,
1,
1
] | 3 | [
[
5.29707038,
0,
0
],
[
0,
5.29707038,
0
],
[
0,
0,
5.29707038
]
] | agm004130323 | [
[
0,
0,
0
],
[
2.64853519,
0,
0
],
[
0,
2.64853519,
0
],
[
0,
0,
2.64853519
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"As",
"Br",
"Br",
"Br"
] | 2024-04-26 00:00:00 | [
0.25,
0.75
] | [
[
-0.02519018,
0,
0
],
[
0,
-0.02519018,
0
],
[
0,
0,
-0.02519018
]
] | -10.558772 | -12.160772 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 221 | agm004130323-pbe-2 | 2 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.883981,
0,
0
],
[
-1.30180019,
2.57345345,
0
],
[
0,
0,
9.862553
]
] | agm004130324 | [
[
0,
0,
4.73391063988308
],
[
0.7910904049999999,
1.286726725,
7.60820249130619
],
[
0,
0,
0.21168530081762
],
[
0.7910904049999999,
1.286726725,
2.24003116661864
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.03632867,
2.4923476,
0
],
[
2.4923476,
0.48521574,
0
],
[
0,
0,
-3.37535315
]
] | -22.764226 | -22.764226 | [
[
0,
0,
0.01519545
],
[
0,
0,
-0.02860349
],
[
0,
0,
0.06860162
],
[
0,
0,
-0.05519357
]
] | pbe | true | 35 | agm004130324-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88074507,
0.00396059,
0
],
[
-1.29680538,
2.57235372,
0
],
[
0,
0,
9.84421013
]
] | agm004130324 | [
[
0,
0,
4.72583799593305
],
[
0.7919698450000001,
1.2881571550000002,
7.592675071844032
],
[
0,
0,
0.21459492104488298
],
[
0.7919698450000001,
1.2881571550000002,
2.2332073046201373
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.58413824,
1.8054676,
0
],
[
1.8054676,
4.41075613,
0
],
[
0,
0,
2.51051982
]
] | -22.764679 | -22.764679 | [
[
0,
0,
0.006241
],
[
0,
0,
-0.01645941
],
[
0,
0,
-0.0242763
],
[
0,
0,
0.03449471
]
] | pbe | true | 35 | agm004130324-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88112254,
0.00999677,
0
],
[
-1.29158952,
2.57541522,
0
],
[
0,
0,
9.83742777
]
] | agm004130324 | [
[
0,
0,
4.722639390150801
],
[
0.7947665099999999,
1.292705995,
7.5860066041343215
],
[
0,
0,
0.2140288826465043
],
[
0.7947665099999999,
1.292705995,
2.233466974816929
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.12108002,
0.00808442,
0
],
[
0.00808442,
-0.11290089,
0
],
[
0,
0,
-0.72603744
]
] | -22.765086 | -22.765086 | [
[
0,
0,
0.00613507
],
[
0,
0,
-0.0000168
],
[
0,
0,
-0.0012021
],
[
0,
0,
-0.00491617
]
] | pbe | true | 35 | agm004130324-pbe-10 | 10 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88104131,
0.01015223,
0
],
[
-1.29141413,
2.5754129,
0
],
[
0,
0,
9.8367977
]
] | agm004130324 | [
[
0,
0,
4.7223067144094655
],
[
0.7948135900000001,
1.292782565,
7.585519356560739
],
[
0,
0,
0.21387047517767602
],
[
0.7948135900000001,
1.292782565,
2.2335000038521198
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.00719539,
-0.17760839,
0
],
[
-0.17760839,
-0.17249361,
0
],
[
0,
0,
-0.53671861
]
] | -22.765087 | -22.765087 | [
[
0,
0,
0.00077351
],
[
0,
0,
0.00067703
],
[
0,
0,
0.00232304
],
[
0,
0,
-0.00377358
]
] | pbe | true | 35 | agm004130324-pbe-11 | 11 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88106525,
0.01010641,
0
],
[
-1.29146582,
2.57541358,
0
],
[
0,
0,
9.83698338
]
] | agm004130324 | [
[
0,
0,
4.7224048046170966
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[
0.7947997149999999,
1.2927599950000002,
7.585662934771231
],
[
0,
0,
0.21391720471782358
],
[
0.7947997149999999,
1.2927599950000002,
2.233490322633515
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.08042859,
-0.06243509,
0
],
[
-0.06243509,
-0.14359507,
0
],
[
0,
0,
-0.67610499
]
] | -22.765087 | -22.765087 | [
[
0,
0,
-0.00213666
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[
0,
0,
0.00316102
],
[
0,
0,
-0.00559336
],
[
0,
0,
0.00456899
]
] | pbe | true | 35 | agm004130324-pbe-12 | 12 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88104472,
0.01014569,
0
],
[
-1.29142151,
2.575413,
0
],
[
0,
0,
9.83682421
]
] | agm004130324 | [
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0,
0,
4.722320719731692
],
[
0.7948116049999999,
1.292779345,
7.585539897772707
],
[
0,
0,
0.213877150385925
],
[
0.7948116049999999,
1.292779345,
2.2334986454779187
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.06351424,
-0.05771937,
0
],
[
-0.05771937,
-0.12190977,
0
],
[
0,
0,
-0.67681016
]
] | -22.765087 | -22.765087 | [
[
0,
0,
0.00195467
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[
0,
0,
0.00044684
],
[
0,
0,
0.00001016
],
[
0,
0,
-0.00241167
]
] | pbe | true | 35 | agm004130324-pbe-13 | 13 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88104241,
0.01015012,
0
],
[
-1.29141652,
2.57541293,
0
],
[
0,
0,
9.83680626
]
] | agm004130324 | [
[
0,
0,
4.722311217241967
],
[
0.794812945,
1.292781525,
7.585525957494058
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[
0,
0,
0.2138726286494208
],
[
0.794812945,
1.292781525,
2.2334995866145535
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.00846493,
-0.14401606,
0
],
[
-0.14401606,
-0.15416808,
0
],
[
0,
0,
-0.56499547
]
] | -22.765087 | -22.765087 | [
[
0,
0,
0.00393405
],
[
0,
0,
0.00033532
],
[
0,
0,
0.00522133
],
[
0,
0,
-0.0094907
]
] | pbe | true | 35 | agm004130324-pbe-14 | 14 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88104382,
0.01014742,
0
],
[
-1.29141956,
2.57541297,
0
],
[
0,
0,
9.83681718
]
] | agm004130324 | [
[
0,
0,
4.72231704976615
],
[
0.79481213,
1.292780195,
7.585534476679035
],
[
0,
0,
0.2138754236454012
],
[
0.79481213,
1.292780195,
2.233499016645759
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.01687757,
-0.10252663,
0
],
[
-0.10252663,
-0.12060526,
0
],
[
0,
0,
-0.59727126
]
] | -22.765087 | -22.765087 | [
[
0,
0,
0.00204446
],
[
0,
0,
0.00058486
],
[
0,
0,
0.0026478
],
[
0,
0,
-0.00527712
]
] | pbe | true | 35 | agm004130324-pbe-15 | 15 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88094236,
0.01012364,
0
],
[
-1.29139498,
2.5753117,
0
],
[
0,
0,
9.83297216
]
] | agm004130324 | [
[
0,
0,
4.720543460470465
],
[
0.7947736900000001,
1.29271767,
7.582596774846298
],
[
0,
0,
0.213789463999936
],
[
0.7947736900000001,
1.29271767,
2.232528639013024
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.40423397,
0.02436538,
0
],
[
0.02436538,
0.42888478,
0
],
[
0,
0,
0.58310069
]
] | -22.765091 | -22.765091 | [
[
0,
0,
0.00719103
],
[
0,
0,
-0.00125086
],
[
0,
0,
-0.00899626
],
[
0,
0,
0.00305608
]
] | pbe | true | 35 | agm004130324-pbe-16 | 16 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.8809741,
0.01013108,
0
],
[
-1.29140267,
2.57534339,
0
],
[
0,
0,
9.83417511
]
] | agm004130324 | [
[
0,
0,
4.721098345562766
],
[
0.794785715,
1.292737235,
7.5835158618085385
],
[
0,
0,
0.2138163070513887
],
[
0.794785715,
1.292737235,
2.2328322489190575
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.31290459,
-0.0186379,
0
],
[
-0.0186379,
0.29404835,
0
],
[
0,
0,
0.12686596
]
] | -22.765092 | -22.765092 | [
[
0,
0,
0.00489138
],
[
0,
0,
-0.00175095
],
[
0,
0,
-0.00562741
],
[
0,
0,
0.00248698
]
] | pbe | true | 35 | agm004130324-pbe-17 | 17 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88098931,
0.01013464,
0
],
[
-1.29140635,
2.57535857,
0
],
[
0,
0,
9.8347515
]
] | agm004130324 | [
[
0,
0,
4.72136423522925
],
[
0.79479148,
1.292746605,
7.583956208015354
],
[
0,
0,
0.213829232410815
],
[
0.79479148,
1.292746605,
2.232977672692095
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.15203322,
-0.03258834,
0
],
[
-0.03258834,
0.11906312,
0
],
[
0,
0,
0.09050839
]
] | -22.765092 | -22.765092 | [
[
0,
0,
0.00019979
],
[
0,
0,
0.00117436
],
[
0,
0,
-0.00273233
],
[
0,
0,
0.00135818
]
] | pbe | true | 35 | agm004130324-pbe-18 | 18 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88098931,
0.01013464,
0
],
[
-1.29140635,
2.57535857,
0
],
[
0,
0,
9.8347515
]
] | agm004130324 | [
[
0,
0,
4.72136423522925
],
[
0.79479148,
1.292746605,
7.583956208015354
],
[
0,
0,
0.213829232410815
],
[
0.79479148,
1.292746605,
2.232977672692095
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.2058202,
-0.00281909,
0
],
[
-0.00281909,
0.20296809,
0
],
[
0,
0,
-0.09366318
]
] | -22.764612 | -22.764612 | [
[
0,
0,
0.00203907
],
[
0,
0,
-0.00089981
],
[
0,
0,
-0.00307836
],
[
0,
0,
0.00193911
]
] | pbe | true | 35 | agm004130324-pbe-19 | 19 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88127025,
0.0033178,
0
],
[
-1.29761602,
2.5725322,
0
],
[
0,
0,
9.84718711
]
] | agm004130324 | [
[
0,
0,
4.727148080467766
],
[
0.791827115,
1.287925,
7.595195190368758
],
[
0,
0,
0.2141225540008794
],
[
0.791827115,
1.287925,
2.2343149386344683
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.7866828,
1.9340519,
0
],
[
1.9340519,
3.7433913,
0
],
[
0,
0,
1.49502574
]
] | -22.7647 | -22.7647 | [
[
0,
0,
0.00084546
],
[
0,
0,
-0.01888819
],
[
0,
0,
-0.00971552
],
[
0,
0,
0.02775825
]
] | pbe | true | 35 | agm004130324-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88192299,
0.00846448,
0
],
[
-1.29331814,
2.57543782,
0
],
[
0,
0,
9.8436369
]
] | agm004130324 | [
[
0,
0,
4.725917180525661
],
[
0.794302425,
1.29195115,
7.590807787356126
],
[
0,
0,
0.215589527638029
],
[
0.794302425,
1.29195115,
2.233140952916553
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.39230161,
0.3609195,
0
],
[
0.3609195,
-0.02715409,
0
],
[
0,
0,
-0.7200076
]
] | -22.76501 | -22.76501 | [
[
0,
0,
-0.00557268
],
[
0,
0,
0.00369369
],
[
0,
0,
-0.02658599
],
[
0,
0,
0.02846498
]
] | pbe | true | 35 | agm004130324-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88192782,
0.00850257,
0
],
[
-1.29328633,
2.57545932,
0
],
[
0,
0,
9.84361063
]
] | agm004130324 | [
[
0,
0,
4.725908112032902
],
[
0.794320745,
1.2919809450000002,
7.5907753234695
],
[
0,
0,
0.21560037087631911
],
[
0.794320745,
1.2919809450000002,
2.2331323354934933
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.52499415,
0.2909785,
0
],
[
0.2909785,
-0.23060697,
0
],
[
0,
0,
-0.86592335
]
] | -22.76501 | -22.76501 | [
[
0,
0,
-0.00640179
],
[
0,
0,
0.01055963
],
[
0,
0,
-0.03277645
],
[
0,
0,
0.02861861
]
] | pbe | true | 35 | agm004130324-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88192336,
0.00846737,
0
],
[
-1.29331573,
2.57543945,
0
],
[
0,
0,
9.84363491
]
] | agm004130324 | [
[
0,
0,
4.725916520438315
],
[
0.794303815,
1.29195341,
7.590805268426941
],
[
0,
0,
0.2155902715450159
],
[
0.794303815,
1.29195341,
2.2331403045897287
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.4495798,
0.31571131,
0
],
[
0.31571131,
-0.13017007,
0
],
[
0,
0,
-0.80437513
]
] | -22.76501 | -22.76501 | [
[
0,
0,
-0.00423312
],
[
0,
0,
0.00712104
],
[
0,
0,
-0.02992347
],
[
0,
0,
0.02703555
]
] | pbe | true | 35 | agm004130324-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88192305,
0.00846491,
0
],
[
-1.29331778,
2.57543806,
0
],
[
0,
0,
9.84363661
]
] | agm004130324 | [
[
0,
0,
4.725917139733407
],
[
0.7943026350000001,
1.291951485,
7.590807366853218
],
[
0,
0,
0.21558961972298624
],
[
0.7943026350000001,
1.291951485,
2.2331408871267557
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.43850454,
0.36551595,
0
],
[
0.36551595,
-0.06870672,
0
],
[
0,
0,
-0.8066295
]
] | -22.76501 | -22.76501 | [
[
0,
0,
-0.00589224
],
[
0,
0,
0.00377806
],
[
0,
0,
-0.02651694
],
[
0,
0,
0.02863111
]
] | pbe | true | 35 | agm004130324-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88136218,
0.0095382,
0
],
[
-1.29210689,
2.57542206,
0
],
[
0,
0,
9.83928644
]
] | agm004130324 | [
[
0,
0,
4.723620527863423
],
[
0.794627645,
1.2924801300000002,
7.587443731054144
],
[
0,
0,
0.2144958540348136
],
[
0.794627645,
1.2924801300000002,
2.2333696454404848
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.1656704,
0.05282101,
0
],
[
0.05282101,
-0.11223062,
0
],
[
0,
0,
-0.65294073
]
] | -22.765076 | -22.765076 | [
[
0,
0,
-0.00128755
],
[
0,
0,
0.00285501
],
[
0,
0,
-0.01562642
],
[
0,
0,
0.01405896
]
] | pbe | true | 35 | agm004130324-pbe-7 | 7 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88077221,
0.01066718,
0
],
[
-1.29083316,
2.57540522,
0
],
[
0,
0,
9.83471053
]
] | agm004130324 | [
[
0,
0,
4.72120491389231
],
[
0.794969525,
1.2930362,
7.583905535129714
],
[
0,
0,
0.21334585073386952
],
[
0.794969525,
1.2930362,
2.233609593591213
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.13345604,
-0.24754324,
0
],
[
-0.24754324,
-0.11698707,
0
],
[
0,
0,
-0.50329881
]
] | -22.765081 | -22.765081 | [
[
0,
0,
0.00454786
],
[
0,
0,
-0.00115883
],
[
0,
0,
0.00258651
],
[
0,
0,
-0.00597554
]
] | pbe | true | 35 | agm004130324-pbe-8 | 8 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
2.8808829,
0.01045535,
0
],
[
-1.29107215,
2.57540838,
0
],
[
0,
0,
9.8355691
]
] | agm004130324 | [
[
0,
0,
4.721658089294377
],
[
0.794905375,
1.292931865,
7.584569380308571
],
[
0,
0,
0.21356167898212
],
[
0.794905375,
1.292931865,
2.2335645997706233
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.0498929,
-0.14986945,
0
],
[
-0.14986945,
-0.10173221,
0
],
[
0,
0,
-0.58837055
]
] | -22.765086 | -22.765086 | [
[
0,
0,
0.00450705
],
[
0,
0,
-0.00105468
],
[
0,
0,
0.00810102
],
[
0,
0,
-0.01155339
]
] | pbe | true | 35 | agm004130324-pbe-9 | 9 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.13609146,
0,
0
],
[
-2.43037552,
4.71528658,
0
],
[
1.27533877,
0.67255988,
2.42699194
]
] | agm004130325 | [
[
1.85285797,
2.35764329,
0
],
[
0,
0,
0
],
[
3.7057151150000003,
0.33627994,
1.21349597
],
[
-0.577518375,
2.69392323,
1.21349597
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
1.55984231,
-1.12911408,
-4.07450594
],
[
-1.12911411,
-3.73762622,
-1.45871022
],
[
-4.07450608,
-1.45871022,
-8.5972793
]
] | -14.655256 | -15.269256 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-0 | 0 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.14115089,
-0.00366234,
-0.01321587
],
[
-2.43519378,
4.70742108,
0.00159867
],
[
1.27076168,
0.66859851,
2.41269697
]
] | agm004130325 | [
[
1.8529785549999997,
2.35187937,
-0.0058086
],
[
0,
0,
0
],
[
3.7059562849999996,
0.332468085,
1.19974055
],
[
-0.5822160500000001,
2.6880097949999997,
1.2071478199999999
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
6.48507308,
-0.19414772,
-0.70060122
],
[
-0.19414772,
2.81259617,
-0.26600727
],
[
-0.70060122,
-0.26600727,
1.92640114
]
] | -14.656673 | -15.270673 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-1 | 1 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17035702,
-0.00236949,
-0.0085505
],
[
-2.44580217,
4.70439316,
-0.00229717
],
[
1.27875102,
0.66745426,
2.40856784
]
] | agm004130325 | [
[
1.862277425,
2.351011835,
-0.005423835
],
[
0,
0,
0
],
[
3.7245540200000002,
0.332542385,
1.2000086699999999
],
[
-0.5835255749999999,
2.68592371,
1.203135335
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.37789781,
0.01416968,
0.05113239
],
[
0.01416968,
0.21306989,
-0.00697221
],
[
0.05113238,
-0.00697221,
0.18984221
]
] | -14.656623 | -15.270623 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-10 | 10 | 1 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17035702,
-0.00236949,
-0.0085505
],
[
-2.44580217,
4.70439316,
-0.00229717
],
[
1.27875102,
0.66745426,
2.40856784
]
] | agm004130325 | [
[
1.862277425,
2.351011835,
-0.005423835
],
[
0,
0,
0
],
[
3.7245540200000002,
0.332542385,
1.2000086699999999
],
[
-0.5835255749999999,
2.68592371,
1.203135335
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.4608016,
-0.00231375,
-0.00834952
],
[
-0.00231382,
0.18604194,
-0.06043419
],
[
-0.00834976,
-0.06043419,
-0.01529283
]
] | -14.656561 | -15.270561 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-11 | 11 | 2 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.14080477,
-0.0034118,
-0.01231177
],
[
-2.43486416,
4.70795916,
0.00148931
],
[
1.2710748,
0.6688695,
2.41367488
]
] | agm004130325 | [
[
1.852970305,
2.3522736799999997,
-0.0054112299999999995
],
[
0,
0,
0
],
[
3.705939785,
0.33272885,
1.2006815549999998
],
[
-0.58189468,
2.6884143299999996,
1.207582095
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
6.19041015,
-0.25167817,
-0.90820469
],
[
-0.25167809,
2.43899468,
-0.3429866
],
[
-0.90820441,
-0.3429866,
1.29634509
]
] | -14.65668 | -15.27068 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-2 | 2 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.16241659,
-0.00557082,
-0.02010278
],
[
-2.44508683,
4.71131595,
0.0023967
],
[
1.27224128,
0.66765632,
2.40929701
]
] | agm004130325 | [
[
1.85866488,
2.352872565,
-0.00885304
],
[
0,
0,
0
],
[
3.7173289350000003,
0.33104275,
1.1945971149999999
],
[
-0.5864227750000001,
2.689486135,
1.2058468549999999
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.8706152,
0.4378961,
1.58018784
],
[
0.43789605,
-1.36265331,
0.13250653
],
[
1.58018767,
0.13250653,
-0.92121186
]
] | -14.65704 | -15.27104 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-3 | 3 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.15718291,
-0.00504797,
-0.01821605
],
[
-2.44261123,
4.71050304,
0.00217696
],
[
1.2719588,
0.66795011,
2.41035719
]
] | agm004130325 | [
[
1.8572858400000003,
2.352727535,
-0.008019545000000001
],
[
0,
0,
0
],
[
3.7145708550000003,
0.33145107,
1.19607057
],
[
-0.5853262149999999,
2.689226575,
1.206267075
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.75749525,
0.27376055,
0.9878896
],
[
0.27376047,
-0.5567218,
0.00792422
],
[
0.9878893,
0.00792422,
-0.53032262
]
] | -14.657081 | -15.271081 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-4 | 4 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.16058727,
-0.00432339,
-0.01560131
],
[
-2.44341104,
4.70904682,
0.00104807
],
[
1.27376353,
0.66788595,
2.41012563
]
] | agm004130325 | [
[
1.8585881149999999,
2.3523617150000002,
-0.00727662
],
[
0,
0,
0
],
[
3.7171754,
0.33178127999999996,
1.19726216
],
[
-0.584823755,
2.688466385,
1.20558685
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.44649974,
0.19667218,
0.70970934
],
[
0.19667215,
-0.51931636,
-0.0146356
],
[
0.70970924,
-0.0146356,
-0.5680746
]
] | -14.657142 | -15.271142 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-5 | 5 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17027523,
-0.00226139,
-0.00816043
],
[
-2.4456871,
4.70490277,
-0.00216446
],
[
1.27889936,
0.66770334,
2.40946669
]
] | agm004130325 | [
[
1.862294065,
2.35132069,
-0.005162445
],
[
0,
0,
0
],
[
3.724587295,
0.332720975,
1.2006531299999998
],
[
-0.5833938699999999,
2.686303055,
1.203651115
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.15136728,
-0.02476572,
-0.08936919
],
[
-0.02476573,
-0.15635,
-0.08459985
],
[
-0.08936924,
-0.08459985,
-0.43819205
]
] | -14.657216 | -15.271216 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-6 | 6 | 0 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17027523,
-0.00226139,
-0.00816043
],
[
-2.4456871,
4.70490277,
-0.00216446
],
[
1.27889936,
0.66770334,
2.40946669
]
] | agm004130325 | [
[
1.862294065,
2.35132069,
-0.005162445
],
[
0,
0,
0
],
[
3.724587295,
0.332720975,
1.2006531299999998
],
[
-0.5833938699999999,
2.686303055,
1.203651115
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.02905475,
-0.03893745,
-0.1405091
],
[
-0.03893751,
-0.25935009,
-0.13561729
],
[
-0.14050929,
-0.13561729,
-0.71115534
]
] | -14.656616 | -15.270616 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-7 | 7 | 1 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17037035,
-0.00238711,
-0.0086141
],
[
-2.44582093,
4.70431007,
-0.00231881
],
[
1.27872683,
0.66741364,
2.40842128
]
] | agm004130325 | [
[
1.8622747099999999,
2.35096148,
-0.005466455
],
[
0,
0,
0
],
[
3.72454859,
0.332513265,
1.1999035900000001
],
[
-0.58354705,
2.685861855,
1.2030512350000002
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.59684037,
0.00701429,
0.02531145
],
[
0.0070142,
0.3506543,
-0.03885844
],
[
0.02531113,
-0.03885844,
0.22119859
]
] | -14.656622 | -15.270622 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-8 | 8 | 1 |
[
"Au",
"Cl",
"Ir"
] | 4 | A2BC | AuClIr | Ir Au2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
6.17035314,
-0.00236436,
-0.008532
],
[
-2.44579671,
4.70441733,
-0.00229088
],
[
1.27875806,
0.66746607,
2.40861046
]
] | agm004130325 | [
[
1.8622782149999997,
2.351026485,
-0.00541144
],
[
0,
0,
0
],
[
3.7245555999999995,
0.33255085500000003,
1.2000392299999998
],
[
-0.5835193250000001,
2.6859417,
1.20315979
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Au",
"Au",
"Cl"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.49064445,
-0.00902581,
-0.03257058
],
[
-0.00902589,
0.17469138,
-0.08019386
],
[
-0.03257087,
-0.08019386,
-0.09247217
]
] | -14.656623 | -15.270623 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130325-pbe-9 | 9 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.123464,
0,
0
],
[
1.85683656,
4.7751483,
0
],
[
-3.49015038,
-2.38757422,
2.89278811
]
] | agm004130327 | [
[
0.9284182300000001,
2.3875741149999996,
1.446394055
],
[
2.56173195,
-3.500000000933312e-8,
1.446394055
],
[
0,
0,
0
],
[
3.49015028,
2.38757415,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.0803823,
-0.73959639,
3e-8
],
[
-0.73959639,
-1.50519194,
2e-8
],
[
3e-8,
2e-8,
-0.99924191
]
] | -22.176435 | -22.176435 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11778549,
-0.00201877,
0
],
[
1.85289705,
4.77058748,
0
],
[
-3.48534136,
-2.38428442,
2.89124813
]
] | agm004130327 | [
[
0.9264484800000001,
2.3852937075,
1.445624065
],
[
2.5588927000000004,
-0.0010094175000001648,
1.445624065
],
[
0,
0,
0
],
[
3.48534127,
2.3842843549999997,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.61196717,
-0.403087,
-7e-8
],
[
-0.403087,
1.92545133,
-5e-8
],
[
-7e-8,
-5e-8,
2.20119853
]
] | -22.176454 | -22.176454 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11712104,
-0.00778812,
0
],
[
1.84727911,
4.77205913,
0
],
[
-3.48220017,
-2.38213557,
2.89563473
]
] | agm004130327 | [
[
0.9236395075000001,
2.3860295325,
1.447817365
],
[
2.558560472499999,
-0.003894092500000168,
1.447817365
],
[
0,
0,
0
],
[
3.4822000749999997,
2.382135505,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.75845686,
-0.13070989,
2e-8
],
[
-0.13070989,
-0.65680267,
1e-8
],
[
2e-8,
1e-8,
-0.56738538
]
] | -22.176127 | -22.176127 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-10 | 10 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11653879,
-0.00835358,
0
],
[
1.84654108,
4.77172139,
0
],
[
-3.48154003,
-2.38168397,
2.89577268
]
] | agm004130327 | [
[
0.9232704925000002,
2.3858606625,
1.44788634
],
[
2.5582693475000005,
-0.004176822500000066,
1.44788634
],
[
0,
0,
0
],
[
3.481539935,
2.381683905,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.60820591,
-0.07877057,
2e-8
],
[
-0.07877057,
-0.54694537,
1e-8
],
[
2e-8,
1e-8,
-0.49305921
]
] | -22.176132 | -22.176132 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-11 | 11 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11537428,
-0.00948449,
0
],
[
1.84506501,
4.77104591,
0
],
[
-3.48021974,
-2.38078078,
2.89604859
]
] | agm004130327 | [
[
0.9225324575,
2.3855229199999997,
1.448024295
],
[
2.5576870924999997,
-0.004742279999999877,
1.448024295
],
[
0,
0,
0
],
[
3.480219645,
2.38078071,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.20631752,
0.01798128,
1e-8
],
[
0.01798128,
-0.22030171,
1e-8
],
[
1e-8,
1e-8,
-0.23260248
]
] | -22.176137 | -22.176137 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-12 | 12 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12028764,
-0.00112923,
0
],
[
1.85463294,
4.77259714,
0
],
[
-3.48746039,
-2.38573402,
2.8919267
]
] | agm004130327 | [
[
0.9273164199999999,
2.3862985375,
1.44596335
],
[
2.5601437699999994,
-0.0005646475000000706,
1.44596335
],
[
0,
0,
0
],
[
3.48746029,
2.385733955,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.00441237,
-0.5380252,
-3e-8
],
[
-0.5380252,
0.41401437,
-2e-8
],
[
-3e-8,
-2e-8,
0.78207151
]
] | -22.176494 | -22.176494 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12049249,
-0.0010564,
0
],
[
1.85477505,
4.77276167,
0
],
[
-3.48763387,
-2.3858527,
2.89198225
]
] | agm004130327 | [
[
0.9273874750000002,
2.3863808025,
1.445991125
],
[
2.5602461950000004,
-0.0005282325000000032,
1.445991125
],
[
0,
0,
0
],
[
3.48763377,
2.385852635,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.15237041,
-0.30261742,
-2e-8
],
[
-0.30261742,
0.38771853,
-1e-8
],
[
-2e-8,
-1e-8,
0.59473577
]
] | -22.176493 | -22.176493 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12197825,
-0.0005282,
0
],
[
1.85580581,
4.77395499,
0
],
[
-3.48889213,
-2.38671346,
2.89238518
]
] | agm004130327 | [
[
0.9279028550000001,
2.3869774625,
1.44619259
],
[
2.560989075,
-0.0002641325000001249,
1.44619259
],
[
0,
0,
0
],
[
3.4888920299999997,
2.386713395,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-1.07208526,
-0.61858153,
1e-8
],
[
-0.61858153,
-0.59100919,
0
],
[
1e-8,
0,
-0.16784422
]
] | -22.176477 | -22.176477 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12078872,
-0.00095109,
0
],
[
1.85498056,
4.77299959,
0
],
[
-3.48788474,
-2.38602432,
2.89206259
]
] | agm004130327 | [
[
0.9274902300000001,
2.3864997600000004,
1.446031295
],
[
2.5603943100000004,
-0.000475580000000031,
1.446031295
],
[
0,
0,
0
],
[
3.48788464,
2.38602425,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.2719683,
-0.55410614,
-2e-8
],
[
-0.55410614,
0.15896473,
-1e-8
],
[
-2e-8,
-1e-8,
0.5380227
]
] | -22.176493 | -22.176493 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12067984,
-0.0009898,
0
],
[
1.85490503,
4.77291214,
0
],
[
-3.48779253,
-2.38596124,
2.89203306
]
] | agm004130327 | [
[
0.9274524675000002,
2.386456035,
1.44601653
],
[
2.5603398725,
-0.0004949349999998631,
1.44601653
],
[
0,
0,
0
],
[
3.4877924350000002,
2.38596117,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.11804365,
-0.38280025,
-1e-8
],
[
-0.38280025,
0.17966334,
-1e-8
],
[
-1e-8,
-1e-8,
0.44153281
]
] | -22.176493 | -22.176493 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.12067984,
-0.0009898,
0
],
[
1.85490503,
4.77291214,
0
],
[
-3.48779253,
-2.38596124,
2.89203306
]
] | agm004130327 | [
[
0.9274524675000002,
2.386456035,
1.44601653
],
[
2.5603398725,
-0.0004949349999998631,
1.44601653
],
[
0,
0,
0
],
[
3.4877924350000002,
2.38596117,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.25331801,
-0.55251776,
-2e-8
],
[
-0.55251776,
0.17637971,
-1e-8
],
[
-2e-8,
-1e-8,
0.55435108
]
] | -22.176076 | -22.176076 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-7 | 7 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11998989,
-0.00249539,
0
],
[
1.85325174,
4.77281475,
0
],
[
-3.48662091,
-2.38515975,
2.89288615
]
] | agm004130327 | [
[
0.9266258224999997,
2.38640734,
1.446443075
],
[
2.5599948975000006,
-0.0012477300000000024,
1.446443075
],
[
0,
0,
0
],
[
3.486620815,
2.38515968,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.4342058,
-0.50878309,
-1e-8
],
[
-0.50878309,
-0.0385209,
-1e-8
],
[
-1e-8,
-1e-8,
0.30953209
]
] | -22.176096 | -22.176096 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-8 | 8 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11792003,
-0.00701218,
0
],
[
1.84829187,
4.77252258,
0
],
[
-3.48310605,
-2.38275527,
2.89544543
]
] | agm004130327 | [
[
0.9241458849999997,
2.386261255,
1.447722715
],
[
2.5589599649999997,
-0.0035061249999999156,
1.447722715
],
[
0,
0,
0
],
[
3.4831059499999997,
2.3827552,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-1.09449255,
-0.24627273,
2e-8
],
[
-0.24627273,
-0.90296417,
2e-8
],
[
2e-8,
2e-8,
-0.73449156
]
] | -22.176118 | -22.176118 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 139 | agm004130327-pbe-9 | 9 | 1 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru W2 | 3 | [
1,
1,
1
] | 3 | [
[
5.014272,
0,
0
],
[
0,
3.891239,
0
],
[
0,
0,
3.891239
]
] | agm004130328 | [
[
2.507136,
1.9456195,
0
],
[
2.507136,
0,
1.9456195
],
[
0,
0,
0
],
[
0,
1.9456195,
1.9456195
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Sr",
"W",
"W"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.76331841,
0,
0
],
[
0,
-3.95323394,
0
],
[
0,
0,
-3.95323394
]
] | -31.887586 | -31.887586 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130328-pbe-0 | 0 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru W2 | 3 | [
1,
1,
1
] | 3 | [
[
5.00635277,
0,
0
],
[
0,
3.88244706,
0
],
[
0,
0,
3.88244706
]
] | agm004130328 | [
[
2.503176385,
1.94122353,
0
],
[
2.503176385,
0,
1.94122353
],
[
0,
0,
0
],
[
0,
1.94122353,
1.94122353
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Sr",
"W",
"W"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
4.52249443,
0,
0
],
[
0,
5.8896572,
0
],
[
0,
0,
5.8896572
]
] | -31.887343 | -31.887343 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130328-pbe-1 | 1 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru W2 | 3 | [
1,
1,
1
] | 3 | [
[
5.01100344,
0,
0
],
[
0,
3.88761024,
0
],
[
0,
0,
3.88761024
]
] | agm004130328 | [
[
2.50550172,
1.94380512,
0
],
[
2.50550172,
0,
1.94380512
],
[
0,
0,
0
],
[
0,
1.94380512,
1.94380512
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Sr",
"W",
"W"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.19786985,
0,
0
],
[
0,
0.03714442,
0
],
[
0,
0,
0.03714442
]
] | -31.887801 | -31.887801 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130328-pbe-2 | 2 | 0 |
[
"Ru",
"Sr",
"W"
] | 4 | A2BC | RuSrW | Sr Ru W2 | 3 | [
1,
1,
1
] | 3 | [
[
5.01100344,
0,
0
],
[
0,
3.88761024,
0
],
[
0,
0,
3.88761024
]
] | agm004130328 | [
[
2.50550172,
1.94380512,
0
],
[
2.50550172,
0,
1.94380512
],
[
0,
0,
0
],
[
0,
1.94380512,
1.94380512
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Ru",
"Sr",
"W",
"W"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.13447862,
0,
0
],
[
0,
-0.01882357,
0
],
[
0,
0,
-0.01882357
]
] | -31.886889 | -31.886889 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130328-pbe-3 | 3 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.417314,
0,
0
],
[
-2.44683015,
4.84270322,
0
],
[
0.5236604,
0.79233562,
2.65448593
]
] | agm004130329 | [
[
-0.9615848749999999,
2.81751942,
1.327242965
],
[
1.4852419250000002,
2.42135161,
0
],
[
0,
0,
0
],
[
2.9704872,
0.39616781,
1.327242965
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.55805235,
0.63156814,
2.11587419
],
[
0.63156621,
-2.78059417,
1.17510069
],
[
2.11586771,
1.17510069,
0.80547839
]
] | -22.277854 | -22.277854 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41572921,
0.00179357,
0.00600879
],
[
-2.44451103,
4.8348342,
0.00026918
],
[
0.52671384,
0.79298924,
2.65667571
]
] | agm004130329 | [
[
-0.9588985950000001,
2.81391172,
1.328472445
],
[
1.48560909,
2.4183138850000003,
0.003138985
],
[
0,
0,
0
],
[
2.9712215250000003,
0.39739140500000003,
1.33134225
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.12345318,
0.41372141,
1.38605224
],
[
0.4137193,
0.51047389,
0.20812873
],
[
1.38604517,
0.20812873,
1.14562332
]
] | -22.278156 | -22.278156 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.415229,
0.00235967,
0.00790533
],
[
-2.44377905,
4.83235051,
0.00035414
],
[
0.52767759,
0.79319554,
2.65736686
]
] | agm004130329 | [
[
-0.9580507299999999,
2.8127730250000003,
1.3288605
],
[
1.4857249750000001,
2.41735509,
0.004129735
],
[
0,
0,
0
],
[
2.971453295,
0.39777760500000003,
1.332636095
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.96269417,
0.33568899,
1.12463061
],
[
0.33568689,
1.57130255,
-0.10974383
],
[
1.12462359,
-0.10974383,
1.23639542
]
] | -22.278176 | -22.278176 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.42131454,
0.00426951,
0.01430369
],
[
-2.44481796,
4.83047399,
-0.00092272
],
[
0.53168531,
0.79409846,
2.66039183
]
] | agm004130329 | [
[
-0.956566325,
2.812286225,
1.329734555
],
[
1.48824829,
2.41737175,
0.006690485
],
[
0,
0,
0
],
[
2.976499925,
0.39918398499999996,
1.33734776
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.27526266,
0.07449567,
0.24957441
],
[
0.07449371,
-0.65490674,
-0.49070747
],
[
0.24956783,
-0.49070747,
-2.15240587
]
] | -22.278294 | -22.278294 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.42043601,
0.0039938,
0.01338
],
[
-2.44466798,
4.83074489,
-0.00073839
],
[
0.53110674,
0.79396811,
2.65995513
]
] | agm004130329 | [
[
-0.9567806200000001,
2.8123565,
1.32960837
],
[
1.4878840150000001,
2.417369345,
0.006320805
],
[
0,
0,
0
],
[
2.9757713750000003,
0.398980955,
1.3366675650000002
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.64769034,
0.11306652,
0.37879534
],
[
0.11306451,
-0.35098851,
-0.4329816
],
[
0.3787886,
-0.4329816,
-1.67232479
]
] | -22.278298 | -22.278298 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.42335445,
0.00469662,
0.01573461
],
[
-2.44535332,
4.82946633,
-0.00232514
],
[
0.53265449,
0.79359199,
2.65869503
]
] | agm004130329 | [
[
-0.956349415,
2.81152916,
1.328184945
],
[
1.4890005649999998,
2.417081475,
0.006704735
],
[
0,
0,
0
],
[
2.9780044699999997,
0.39914430500000003,
1.33721482
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.48592736,
0.02662785,
0.08920803
],
[
0.0266258,
-0.31306464,
-0.13584761
],
[
0.08920118,
-0.13584761,
-0.72763275
]
] | -22.278354 | -22.278354 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.42558256,
0.0052332,
0.01753226
],
[
-2.44587656,
4.82849021,
-0.00353656
],
[
0.53383613,
0.79330483,
2.657733
]
] | agm004130329 | [
[
-0.9560202149999999,
2.81089752,
1.3270982199999999
],
[
1.4898529999999999,
2.416861705,
0.006997850000000001
],
[
0,
0,
0
],
[
2.979709345,
0.399269015,
1.3376326299999999
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.35788807,
-0.04021622,
-0.13473335
],
[
-0.04021811,
-0.2947395,
0.09459429
],
[
-0.1347397,
0.09459429,
-0.00606466
]
] | -22.27837 | -22.27837 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.42558256,
0.0052332,
0.01753226
],
[
-2.44587656,
4.82849021,
-0.00353656
],
[
0.53383613,
0.79330483,
2.657733
]
] | agm004130329 | [
[
-0.9560202149999999,
2.81089752,
1.3270982199999999
],
[
1.4898529999999999,
2.416861705,
0.006997850000000001
],
[
0,
0,
0
],
[
2.979709345,
0.399269015,
1.3376326299999999
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-25 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.3639864,
-0.02876279,
-0.09636213
],
[
-0.0287647,
-0.3326812,
0.11610524
],
[
-0.09636856,
0.11610524,
0.02163894
]
] | -22.278246 | -22.278246 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 12 | agm004130329-pbe-7 | 7 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.496262,
0,
0
],
[
9.04284135,
2.8993124,
0
],
[
9.04284135,
1.41420119,
2.53101706
]
] | agm004130330 | [
[
6.895486174999999,
1.0783783974999999,
0.632754265
],
[
20.686458525,
3.2351351925,
1.898262795
],
[
0.032479118981485006,
0.0050793779279045,
0.002980399139003
],
[
13.758493231018514,
2.1516774170720954,
1.2625281308609968
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.05405389,
-0.11397908,
-0.06687889
],
[
-0.11397908,
0.76504643,
-0.01045912
],
[
-0.06687889,
-0.01045912,
0.77673447
]
] | -22.369029 | -22.369029 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02222259,
0.00347537,
0.00203922
],
[
-0.02222259,
-0.00347537,
-0.00203922
]
] | pbe | true | 166 | agm004130330-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.49653127,
-0.00056778,
-0.00033315
],
[
9.04292441,
2.89993528,
-0.00033315
],
[
9.04292441,
1.41421418,
2.53172332
]
] | agm004130330 | [
[
6.8955950225,
1.07839542,
0.6327642550000001
],
[
20.6867850675,
3.23518626,
1.898292765
],
[
0.0335517587890778,
0.0052471270271856,
0.0030788283802684
],
[
13.757638286210922,
2.1515437129728143,
1.2624496816197317
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.73988528,
-0.00713329,
-0.00418556
],
[
-0.00713329,
-0.69538837,
-0.00065458
],
[
-0.00418556,
-0.00065458,
-0.69465688
]
] | -22.369062 | -22.369062 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01182367,
0.00184909,
0.00108498
],
[
-0.01182367,
-0.00184909,
-0.00108498
]
] | pbe | true | 166 | agm004130330-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.49653734,
-0.00058059,
-0.00034067
],
[
9.04292628,
2.89994933,
-0.00034067
],
[
9.04292628,
1.41421447,
2.53173926
]
] | agm004130330 | [
[
6.895597475,
1.0783958025,
0.6327644800000001
],
[
20.686792425,
3.2351874075,
1.8982934400000002
],
[
0.03357604322527,
0.005250924841533,
0.003081056806016
],
[
13.75761890677473,
2.151540680158467,
1.2624479031939841
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.76403333,
0.00287928,
0.00168946
],
[
0.00287928,
-0.78199405,
0.00026421
],
[
0.00168946,
0.00026421,
-0.7822893
]
] | -22.369061 | -22.369061 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00795012,
0.00124331,
0.00072953
],
[
-0.00795012,
-0.00124331,
-0.00072953
]
] | pbe | true | 166 | agm004130330-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.49653171,
-0.00056871,
-0.0003337
],
[
9.04292454,
2.8999363,
-0.0003337
],
[
9.04292454,
1.4142142,
2.53172448
]
] | agm004130330 | [
[
6.8955951975000005,
1.0783954475,
0.6327642699999999
],
[
20.686785592499998,
3.2351863424999996,
1.89829281
],
[
0.0335534145834192,
0.005247385975899199,
0.0030789803166784
],
[
13.757636980416578,
2.1515435090241004,
1.2624495596833214
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.89164012,
-0.02061144,
-0.01209406
],
[
-0.02061144,
-0.76306761,
-0.00189138
],
[
-0.01209406,
-0.00189138,
-0.760954
]
] | -22.369062 | -22.369062 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0155389,
0.00243011,
0.0014259
],
[
-0.0155389,
-0.00243011,
-0.0014259
]
] | pbe | true | 166 | agm004130330-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.49401074,
-0.00090253,
-0.00052958
],
[
9.04042203,
2.89948451,
-0.00052958
],
[
9.04042203,
1.41382284,
2.53142562
]
] | agm004130330 | [
[
6.893713700000001,
1.078101205,
0.6325916149999999
],
[
20.681141099999998,
3.234303615,
1.8977748449999998
],
[
0.034505518805432005,
0.0053962846474588004,
0.0031663487660564
],
[
13.75292188119457,
2.1508061253525415,
1.2620168812339434
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.20248948,
0.07080737,
0.04154726
],
[
0.07080737,
-0.23920135,
0.00649754
],
[
0.04154726,
0.00649754,
-0.24646232
]
] | -22.369079 | -22.369079 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00127284,
0.00019906,
0.0001168
],
[
-0.00127284,
-0.00019906,
-0.0001168
]
] | pbe | true | 166 | agm004130330-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.49401074,
-0.00090253,
-0.00052958
],
[
9.04042203,
2.89948451,
-0.00052958
],
[
9.04042203,
1.41382284,
2.53142562
]
] | agm004130330 | [
[
6.893713700000001,
1.078101205,
0.6325916149999999
],
[
20.681141099999998,
3.234303615,
1.8977748449999998
],
[
0.034505518805432005,
0.0053962846474588004,
0.0031663487660564
],
[
13.75292188119457,
2.1508061253525415,
1.2620168812339434
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.23759451,
0.06975334,
0.04092879
],
[
0.06975334,
-0.19752131,
0.00640081
],
[
0.04092879,
0.00640081,
-0.20467419
]
] | -22.369225 | -22.369225 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00025709,
-0.00004021,
-0.00002359
],
[
0.00025709,
0.00004021,
0.00002359
]
] | pbe | true | 166 | agm004130330-pbe-5 | 5 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.801785,
0,
0
],
[
0.942737,
4.70833157,
0
],
[
-2.87226052,
-2.35416539,
3.0438732
]
] | agm004130331 | [
[
2.872261,
2.354165785,
0
],
[
2.4008927399999997,
1.975000001319671e-7,
1.5219366
],
[
0,
0,
0
],
[
0.47136873999999995,
2.3541659825000005,
1.5219366
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-1.57872182,
-1.72440278,
8e-8
],
[
-1.72440278,
-0.88817644,
7e-8
],
[
8e-8,
7e-8,
0.52518076
]
] | -22.66267 | -22.66267 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79785796,
-0.00428942,
0
],
[
0.93776007,
4.7053231,
0
],
[
-2.86780853,
-2.35051645,
3.04470131
]
] | agm004130331 | [
[
2.8678090149999997,
2.35051684,
0
],
[
2.3989292224999996,
-0.0021445150000001245,
1.522350655
],
[
0,
0,
0
],
[
0.46888027750000005,
2.352661745,
1.522350655
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.26788141,
-1.39174192,
3.1e-7
],
[
-1.39174192,
0.82521115,
2.5e-7
],
[
3.1e-7,
2.5e-7,
1.96591321
]
] | -22.662832 | -22.662832 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.78923236,
-0.02216027,
0
],
[
0.91854355,
4.70037397,
0
],
[
-2.85388748,
-2.33910645,
3.05305503
]
] | agm004130331 | [
[
2.853887955,
2.3391068500000003,
0
],
[
2.3946164175,
-0.01107993499999993,
1.526527515
],
[
0,
0,
0
],
[
0.45927201250000005,
2.350187185,
1.526527515
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.1379699,
-0.16219742,
5e-8
],
[
-0.16219742,
0.20292264,
4e-8
],
[
5e-8,
4e-8,
0.33586324
]
] | -22.663104 | -22.663104 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-10 | 10 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79518918,
-0.00720447,
0
],
[
0.93437779,
4.70327857,
0
],
[
-2.864783,
-2.34803666,
3.04526409
]
] | agm004130331 | [
[
2.8647834850000002,
2.3480370500000003,
0
],
[
2.3975948325,
-0.003602039999999862,
1.522632045
],
[
0,
0,
0
],
[
0.46718913750000013,
2.3516394800000002,
1.522632045
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.56666467,
-1.14745571,
4.7e-7
],
[
-1.14745571,
2.02616883,
3.8e-7
],
[
4.7e-7,
3.8e-7,
2.96664925
]
] | -22.66288 | -22.66288 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.7945643,
-0.00937388,
0
],
[
0.93212791,
4.70309178,
0
],
[
-2.86334563,
-2.34685856,
3.04654583
]
] | agm004130331 | [
[
2.863346105,
2.34685895,
0
],
[
2.3972823875,
-0.004686744999999881,
1.523272915
],
[
0,
0,
0
],
[
0.4660641925,
2.351546085,
1.523272915
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.1151572,
-0.96667019,
3.6e-7
],
[
-0.96667019,
1.50226492,
3e-7
],
[
3.6e-7,
3e-7,
2.29456938
]
] | -22.662963 | -22.662963 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79268966,
-0.01588211,
0
],
[
0.92537829,
4.70253138,
0
],
[
-2.85903349,
-2.34332424,
3.05039103
]
] | agm004130331 | [
[
2.859033975,
2.343324635,
0
],
[
2.3963450724999995,
-0.007940857499999954,
1.525195515
],
[
0,
0,
0
],
[
0.4626893875,
2.3512658875000003,
1.525195515
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.21973158,
-0.5163196,
6e-8
],
[
-0.5163196,
-0.01296892,
5e-8
],
[
6e-8,
5e-8,
0.41021773
]
] | -22.663116 | -22.663116 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.78894037,
-0.02889859,
0
],
[
0.91187905,
4.70141059,
0
],
[
-2.85040923,
-2.33625561,
3.05808143
]
] | agm004130331 | [
[
2.85040971,
2.336256,
0
],
[
2.3944704249999997,
-0.014449099999999993,
1.529040715
],
[
0,
0,
0
],
[
0.4559397649999999,
2.35070549,
1.529040715
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.85696408,
0.36510233,
-5.2e-7
],
[
0.36510233,
-3.00317107,
-4.3e-7
],
[
-5.2e-7,
-4.3e-7,
-3.30241832
]
] | -22.662997 | -22.662997 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79153437,
-0.01989294,
0
],
[
0.9212187,
4.70218603,
0
],
[
-2.85637606,
-2.34114615,
3.05276071
]
] | agm004130331 | [
[
2.856376535,
2.341146545,
0
],
[
2.3957674224999996,
-0.00994627250000013,
1.526380355
],
[
0,
0,
0
],
[
0.4606095874999998,
2.3510932125,
1.526380355
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-1.01078506,
-0.2212357,
-1.2e-7
],
[
-0.2212357,
-0.92219016,
-1e-7
],
[
-1.2e-7,
-1e-7,
-0.74086108
]
] | -22.663139 | -22.663139 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.78998102,
-0.02193865,
0
],
[
0.91890784,
4.70106454,
0
],
[
-2.85444395,
-2.33956255,
3.05335821
]
] | agm004130331 | [
[
2.85444443,
2.339562945,
0
],
[
2.39499075,
-0.01096912750000012,
1.526679105
],
[
0,
0,
0
],
[
0.45945416000000017,
2.3505324675,
1.526679105
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.45925085,
-0.06414786,
-6e-8
],
[
-0.06414786,
-0.43356253,
-5e-8
],
[
-6e-8,
-5e-8,
-0.38098578
]
] | -22.663156 | -22.663156 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-7 | 7 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.78998102,
-0.02193865,
0
],
[
0.91890784,
4.70106454,
0
],
[
-2.85444395,
-2.33956255,
3.05335821
]
] | agm004130331 | [
[
2.85444443,
2.339562945,
0
],
[
2.39499075,
-0.01096912750000012,
1.526679105
],
[
0,
0,
0
],
[
0.45945416000000017,
2.3505324675,
1.526679105
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.48714009,
-0.14596871,
-5e-8
],
[
-0.14596871,
-0.42868622,
-4e-8
],
[
-5e-8,
-4e-8,
-0.30904734
]
] | -22.663099 | -22.663099 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-8 | 8 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.7887739,
-0.02229598,
0
],
[
0.91832047,
4.69995107,
0
],
[
-2.85354671,
-2.33882715,
3.05286938
]
] | agm004130331 | [
[
2.853547185,
2.338827545,
0
],
[
2.3943871875,
-0.011147792500000087,
1.52643469
],
[
0,
0,
0
],
[
0.4591604725,
2.3499757324999995,
1.52643469
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.60059506,
-0.09955917,
1.1e-7
],
[
-0.09955917,
0.64046401,
9e-8
],
[
1.1e-7,
9e-8,
0.72206517
]
] | -22.663101 | -22.663101 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 119 | agm004130331-pbe-9 | 9 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.4147,
0,
0
],
[
2.48276865,
4.8119472,
0
],
[
-3.48528503,
-3.16659552,
2.672908
]
] | agm004130332 | [
[
2.9390746475,
-0.3803109600000001,
1.336454
],
[
1.4731089725,
2.02566264,
1.336454
],
[
0.0252222246021915,
0.015367963892112,
0
],
[
3.9235121003978084,
2.3906056361078876,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-2.24773407,
0.37815482,
-1.00189298
],
[
0.37815482,
-2.63795836,
1.64432731
],
[
-1.00189298,
1.64432731,
-1.58509505
]
] | -22.323795 | -22.323795 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00061072,
-0.00037212,
0
],
[
0.00061072,
0.00037212,
0
]
] | pbe | true | 71 | agm004130332-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.40831943,
0.00107346,
-0.00284404
],
[
2.48079697,
4.80578471,
0.00284404
],
[
-3.48320975,
-3.16060306,
2.66978773
]
] | agm004130332 | [
[
2.93483394,
-0.3780502575,
1.333471845
],
[
1.4710727099999998,
2.0243053675000002,
1.3363158849999999
],
[
0.025166123533671998,
0.0153337814251366,
0
],
[
3.9193920764663277,
2.3880953035748633,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.78713503,
-0.32038718,
-0.52727891
],
[
-0.32038718,
3.11774884,
0.86538238
],
[
-0.52727891,
0.86538238,
3.98832974
]
] | -22.32388 | -22.32388 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00375668,
-0.00228896,
0
],
[
0.00375668,
0.00228896,
0
]
] | pbe | true | 71 | agm004130332-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41083209,
0.00065073,
-0.00172406
],
[
2.48157342,
4.80821149,
0.00172406
],
[
-3.48402699,
-3.16296288,
2.67101648
]
] | agm004130332 | [
[
2.9365039275000004,
-0.37894052,
1.33464621
],
[
1.4718745925,
2.02483986,
1.33637027
],
[
0.025188217564889502,
0.015347243332019,
0
],
[
3.921014537435111,
2.389083866667981,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.72986368,
-0.04103611,
-0.70571534
],
[
-0.04103611,
0.77221007,
1.15823531
],
[
-0.70571534,
1.15823531,
1.70113047
]
] | -22.323952 | -22.323952 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00256241,
-0.00156128,
0
],
[
0.00256241,
0.00156128,
0
]
] | pbe | true | 71 | agm004130332-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41038916,
0.00093702,
-0.00461104
],
[
2.48162474,
4.8076866,
0.00461104
],
[
-3.48533444,
-3.16037641,
2.67147858
]
] | agm004130332 | [
[
2.9355308350000002,
-0.37756378999999995,
1.33343377
],
[
1.471148625,
2.025811,
1.33804481
],
[
0.025062273941535002,
0.015270505598853,
0
],
[
3.920944676058465,
2.3890413044011476,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.02371938,
-0.51109482,
-0.22836708
],
[
-0.51109482,
0.55112773,
0.37480117
],
[
-0.22836708,
0.37480117,
1.15504394
]
] | -22.324057 | -22.324057 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00265944,
-0.0016204,
0
],
[
0.00265944,
0.0016204,
0
]
] | pbe | true | 71 | agm004130332-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41003379,
0.0011667,
-0.00692727
],
[
2.48166592,
4.80726547,
0.00692727
],
[
-3.48638341,
-3.15830127,
2.67184933
]
] | agm004130332 | [
[
2.9347501175,
-0.37645924249999996,
1.3324610300000002
],
[
1.4705661824999998,
2.0265901425,
1.3393883
],
[
0.024961209431738705,
0.0152089267007449,
0
],
[
3.920888645568261,
2.389007158299255,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.58914261,
-0.89166688,
0.15221862
],
[
-0.89166688,
0.33098483,
-0.24982419
],
[
0.15221862,
-0.24982419,
0.67931086
]
] | -22.324073 | -22.324073 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00236712,
-0.00144229,
0
],
[
0.00236712,
0.00144229,
0
]
] | pbe | true | 71 | agm004130332-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41010126,
0.0011231,
-0.00648754
],
[
2.4816581,
4.80734542,
0.00648754
],
[
-3.48618426,
-3.15869523,
2.67177894
]
] | agm004130332 | [
[
2.93489834,
-0.3766689350000001,
1.3326456999999998
],
[
1.47067676,
2.0264422249999994,
1.33913324
],
[
0.0249803383253632,
0.0152205819991524,
0
],
[
3.920899341674637,
2.3890136780008477,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.53605621,
-0.80719111,
0.05384416
],
[
-0.80719111,
0.29689919,
-0.08836996
],
[
0.05384416,
-0.08836996,
0.71975691
]
] | -22.324075 | -22.324075 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00222021,
-0.00135278,
0
],
[
0.00222021,
0.00135278,
0
]
] | pbe | true | 71 | agm004130332-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.40843248,
-0.00119965,
-0.00690782
],
[
2.47882874,
4.80692744,
0.00690782
],
[
-3.4839592,
-3.15728546,
2.67296986
]
] | agm004130332 | [
[
2.9340519449999998,
-0.37781060750000006,
1.33303102
],
[
1.4692500750000002,
2.0262529375,
1.3399388399999999
],
[
0.024829808174069802,
0.0151288635984211,
0
],
[
3.91880080182593,
2.387735031401579,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.3998991,
-0.10224233,
-0.00842618
],
[
-0.10224233,
-0.29439335,
0.01382915
],
[
-0.00842618,
0.01382915,
-0.22130432
]
] | -22.324102 | -22.324102 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00148302,
-0.00090361,
0
],
[
0.00148302,
0.00090361,
0
]
] | pbe | true | 71 | agm004130332-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.40843248,
-0.00119965,
-0.00690782
],
[
2.47882874,
4.80692744,
0.00690782
],
[
-3.4839592,
-3.15728546,
2.67296986
]
] | agm004130332 | [
[
2.9340519449999998,
-0.37781060750000006,
1.33303102
],
[
1.4692500750000002,
2.0262529375,
1.3399388399999999
],
[
0.024829808174069802,
0.0151288635984211,
0
],
[
0.43484160182593,
-0.7695504285984214,
2.67296986
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.43575022,
-0.13554997,
-0.0300984
],
[
-0.13554997,
-0.29587368,
0.04939807
],
[
-0.0300984,
0.04939807,
-0.17473133
]
] | -22.323677 | -22.323677 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00053946,
-0.00032869,
0
],
[
0.00053946,
0.00032869,
0
]
] | pbe | true | 71 | agm004130332-pbe-7 | 7 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.696898,
0,
0
],
[
0,
2.851989,
0
],
[
0,
0.6671447,
5.29066997
]
] | agm004130333 | [
[
2.348449,
0.8797834250000001,
1.3226674925
],
[
2.348449,
2.639350275,
3.9680024775
],
[
0,
2.6756392288223094,
0.11065367463545389
],
[
0,
1.935916621177691,
2.534681310364546
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-3.70416513,
0,
0
],
[
0,
-0.7374053,
-3.63525969
],
[
0,
-3.63525999,
0.69294913
]
] | -22.342055 | -22.342055 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00996197,
0.02373811
],
[
0,
-0.00996197,
-0.02373811
]
] | pbe | true | 10 | agm004130333-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.68761621,
0,
0
],
[
0,
2.85086702,
-0.00553113
],
[
0,
0.65662156,
5.291332
]
] | agm004130333 | [
[
2.343808105,
0.876872145,
1.3214502175
],
[
2.343808105,
2.6306164350000003,
3.9643506524999994
],
[
0,
2.6748502103669085,
0.10665012021209018
],
[
0,
1.9297610996330918,
2.53071918478791
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.94056023,
0,
0
],
[
0,
1.71854838,
-1.35178296
],
[
0,
-1.35178339,
1.984498
]
] | -22.342577 | -22.342577 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00365897,
0.0097296
],
[
0,
0.00365897,
-0.0097296
]
] | pbe | true | 10 | agm004130333-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69751122,
0,
0
],
[
0,
2.8577705,
-0.01934701
],
[
0,
0.63248116,
5.27916835
]
] | agm004130333 | [
[
2.34875561,
0.872562915,
1.314955335
],
[
2.34875561,
2.6176887449999997,
3.944866005
],
[
0,
2.6723132864446275,
0.09908562788572128
],
[
0,
1.9305830435553726,
2.5114780321142787
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.35260368,
0,
0
],
[
0,
0.35457294,
0.25835305
],
[
0,
0.25835273,
1.1266288
]
] | -22.34313 | -22.34313 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00871777,
-0.00651499
],
[
0,
0.00871777,
0.00651499
]
] | pbe | true | 10 | agm004130333-pbe-10 | 10 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69792074,
0,
0
],
[
0,
2.8584495,
-0.0189121
],
[
0,
0.63344826,
5.2811485
]
] | agm004130333 | [
[
2.34896037,
0.8729744399999999,
1.3155591
],
[
2.34896037,
2.61892332,
3.9466772999999993
],
[
0,
2.6718061293549935,
0.09906196843196
],
[
0,
1.9325922506450062,
2.5131441315680396
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.41210397,
0,
0
],
[
0,
-0.61956113,
0.05993349
],
[
0,
0.05993372,
0.02768473
]
] | -22.343159 | -22.343159 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00318581,
0.00286312
],
[
0,
0.00318581,
-0.00286312
]
] | pbe | true | 10 | agm004130333-pbe-11 | 11 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69792801,
0,
0
],
[
0,
2.85846156,
-0.01890437
],
[
0,
0.63346544,
5.28118366
]
] | agm004130333 | [
[
2.348964005,
0.87298175,
1.3155698225
],
[
2.348964005,
2.61894525,
3.9467094675
],
[
0,
2.6717971156487392,
0.0990615064322429
],
[
0,
1.9326279443512604,
2.513173768567757
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.31075688,
0,
0
],
[
0,
-0.73509712,
0.04334492
],
[
0,
0.04334527,
-0.11335884
]
] | -22.343159 | -22.343159 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00150805,
0.00234937
],
[
0,
0.00150805,
-0.00234937
]
] | pbe | true | 10 | agm004130333-pbe-12 | 12 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.6979217,
0,
0
],
[
0,
2.85845109,
-0.01891107
],
[
0,
0.63345054,
5.28115315
]
] | agm004130333 | [
[
2.34896085,
0.8729754075,
1.31556052
],
[
2.34896085,
2.6189262225000003,
3.9466815599999996
],
[
0,
2.671804946146975,
0.099061884008754
],
[
0,
1.9325969588530252,
2.513148085991246
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.30868582,
0,
0
],
[
0,
-0.80749968,
-0.00635474
],
[
0,
-0.00635485,
-0.20577192
]
] | -22.343159 | -22.343159 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.0020073,
0.00539762
],
[
0,
-0.0020073,
-0.00539762
]
] | pbe | true | 10 | agm004130333-pbe-13 | 13 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69792078,
0,
0
],
[
0,
2.85844957,
-0.01891205
],
[
0,
0.63344837,
5.28114872
]
] | agm004130333 | [
[
2.34896039,
0.872974485,
1.3155591675
],
[
2.34896039,
2.618923455,
3.9466775024999996
],
[
0,
2.6718060761988367,
0.09906196772667399
],
[
0,
1.9325924638011631,
2.513144317273326
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.25515301,
0,
0
],
[
0,
-0.76476455,
0.07354786
],
[
0,
0.07354738,
-0.10625192
]
] | -22.343159 | -22.343159 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00538544,
0.00419517
],
[
0,
0.00538544,
-0.00419517
]
] | pbe | true | 10 | agm004130333-pbe-14 | 14 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69842209,
0,
0
],
[
0,
2.85782847,
-0.01874862
],
[
0,
0.63361419,
5.28137758
]
] | agm004130333 | [
[
2.349211045,
0.8728606649999999,
1.31565724
],
[
2.349211045,
2.618581995,
3.9469717199999996
],
[
0,
2.670824362017377,
0.0992535819261382
],
[
0,
1.9327254379826226,
2.513312278073862
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.11711582,
0,
0
],
[
0,
-0.2811149,
-0.10302621
],
[
0,
-0.10302656,
0.06690062
]
] | -22.343168 | -22.343168 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00237099,
0.00181063
],
[
0,
0.00237099,
-0.00181063
]
] | pbe | true | 10 | agm004130333-pbe-15 | 15 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69842209,
0,
0
],
[
0,
2.85782847,
-0.01874862
],
[
0,
0.63361419,
5.28137758
]
] | agm004130333 | [
[
2.349211045,
0.8728606649999999,
1.31565724
],
[
2.349211045,
2.618581995,
3.9469717199999996
],
[
0,
2.670824362017377,
0.0992535819261382
],
[
0,
1.9327254379826226,
2.513312278073862
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.17049626,
0,
0
],
[
0,
-0.26868501,
-0.17118405
],
[
0,
-0.17118429,
0.1077423
]
] | -22.343657 | -22.343657 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00054691,
0.00207113
],
[
0,
0.00054691,
-0.00207113
]
] | pbe | true | 10 | agm004130333-pbe-16 | 16 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.68764869,
0,
0
],
[
0,
2.85087095,
-0.00551177
],
[
0,
0.65665838,
5.29132968
]
] | agm004130333 | [
[
2.343824345,
0.8768823325,
1.3214544775
],
[
2.343824345,
2.6306469974999995,
3.9643634324999995
],
[
0,
2.674852966790964,
0.1066641754637768
],
[
0,
1.9297826482090357,
2.530733009536223
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
2.85574907,
0,
0
],
[
0,
1.71080587,
-1.42326449
],
[
0,
-1.42326455,
2.01044388
]
] | -22.342577 | -22.342577 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00345529,
0.00995308
],
[
0,
0.00345529,
-0.00995308
]
] | pbe | true | 10 | agm004130333-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.69080005,
0,
0
],
[
0,
2.85299391,
-0.01004758
],
[
0,
0.64873927,
5.29678503
]
] | agm004130333 | [
[
2.345400025,
0.875433295,
1.3216843624999999
],
[
2.345400025,
2.626299885,
3.9650530875
],
[
0,
2.6767051280123635,
0.10351764043548459
],
[
0,
1.9271553719876366,
2.5298035045645153
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.26393578,
0,
0
],
[
0,
-1.74450701,
0.05387267
],
[
0,
0.05387339,
-3.16311217
]
] | -22.342704 | -22.342704 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.02039,
0.02492496
],
[
0,
0.02039,
-0.02492496
]
] | pbe | true | 10 | agm004130333-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.68981355,
0,
0
],
[
0,
2.85232934,
-0.0086277
],
[
0,
0.65121826,
5.29507729
]
] | agm004130333 | [
[
2.344906775,
0.8758869,
1.3216123975
],
[
2.344906775,
2.6276607,
3.9648371925
],
[
0,
2.676125170311362,
0.1045027038155876
],
[
0,
1.927977969688638,
2.5300943911844125
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
1.10142596,
0,
0
],
[
0,
-0.65410206,
-0.40618851
],
[
0,
-0.40618825,
-1.54872081
]
] | -22.342733 | -22.342733 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.01505242,
0.01839214
],
[
0,
0.01505242,
-0.01839214
]
] | pbe | true | 10 | agm004130333-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd In Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
4.6932481,
0,
0
],
[
0,
2.8519753,
-0.01042962
],
[
0,
0.64778402,
5.29232828
]
] | agm004130333 | [
[
2.34662405,
0.87493983,
1.320474665
],
[
2.34662405,
2.62481949,
3.9614239950000005
],
[
0,
2.6750515731549775,
0.10385636115652641
],
[
0,
1.926803386845022,
2.5266633488434738
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cd",
"In",
"Tc",
"Tc"
] | 2024-04-27 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.35283691,
0,
0
],
[
0,
0.13682829,
-0.35872593
],
[
0,
-0.35872617,
-1.0156116
]
] | -22.342859 | -22.342859 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.0166068,
0.01203672
],
[
0,
0.0166068,
-0.01203672
]
] | pbe | true | 10 | agm004130333-pbe-5 | 5 | 0 |
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