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[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
5.41403958,
0.00250322,
-0.02495943
],
[
2.300907,
4.90078147,
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[
-3.78921105,
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] | agm004130213 | [
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"Cd",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
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0.25
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0.06138443,
0.03901328,
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[
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0
]
] | pbe | true | 44 | agm004130213-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
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0.00177557,
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0
]
] | pbe | true | 44 | agm004130213-pbe-40 | 40 | 1 |
[
"Cd",
"In",
"Tc"
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1,
1,
1
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"Cd",
"Cd",
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] | 2024-04-26 00:00:00 | [
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] | -13.649863 | -13.649863 | [
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[
-0.02301156,
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0
]
] | pbe | true | 44 | agm004130213-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
5.41470688,
0.00277416,
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[
2.30143562,
4.90127067,
0.04085219
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[
-3.79831838,
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2.90021113
]
] | agm004130213 | [
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0.0179428091238,
0.011403669685888799,
2.3253599986858796e-11
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[
2.7336261278068,
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1.4296794774953296
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[
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2.438403048819469,
4.972228299232606e-9
],
[
1.1876842225361253,
2.4081364240920458,
1.4705316625091887
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
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0.02219018
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[
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[
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]
] | -13.650445 | -13.650445 | [
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0
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[
0.00166392,
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0
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[
0.02693944,
0.01712154,
0
],
[
-0.00065052,
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0
]
] | pbe | true | 44 | agm004130213-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
5.41570782,
0.00318058,
-0.06469132
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[
2.30222856,
4.90200448,
0.06469134
],
[
-3.81197939,
-2.52651922,
2.90165496
]
] | agm004130213 | [
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0.012518878705179001,
0.007956455426573,
3.244100000025958e-11
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[
2.7272080230289495,
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1.418481824989271
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2.4490802703414882,
9.98567940141415e-9
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[
1.1717562850726793,
2.4122260367055257,
1.4831731549926084
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-2.28494114,
-0.28958458,
-0.09077251
],
[
-0.28958458,
-2.01334882,
0.14281951
],
[
-0.09077251,
0.14281951,
-1.81153531
]
] | -13.650506 | -13.650506 | [
[
-0.05673499,
-0.0360583,
0
],
[
0.04080712,
0.02593524,
0
],
[
-0.02146477,
-0.01364208,
0
],
[
0.03739264,
0.02376514,
0
]
] | pbe | true | 44 | agm004130213-pbe-7 | 7 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
5.41527421,
0.00300452,
-0.05436401
],
[
2.30188505,
4.90168659,
0.05436402
],
[
-3.80606133,
-2.53497249,
2.90102948
]
] | agm004130213 | [
[
0.0148683420598716,
0.009449672173992599,
1.926660000701845e-11
],
[
2.729988362722329,
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1.423332737494936
],
[
3.84616480438366,
2.44445523127061,
4.9839127026773955e-9
],
[
1.1786559736625473,
2.41045411653968,
1.4776967525018845
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
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] | -13.650633 | -13.650633 | [
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0
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[
0.02103076,
0.01336624,
0
]
] | pbe | true | 44 | agm004130213-pbe-8 | 8 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
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0.00238913,
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2.29944192,
4.89792605,
0.05939038
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[
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2.89943232
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] | agm004130213 | [
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0.012027950415259501,
0.0076444426776482,
1.5599900006751238e-11
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2.727225333715683,
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1.4200209774960084
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4.9881490014891394e-9
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2.409927703639963,
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"Cd",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.24947285,
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[
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0.46233315,
0.06961125
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[
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0.61524515
]
] | -13.650861 | -13.650861 | [
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0
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[
0.02257003,
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0
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[
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0
],
[
0.0201596,
0.01281256,
0
]
] | pbe | true | 44 | agm004130213-pbe-9 | 9 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
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3.000703,
0,
0
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[
0,
3.000703,
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[
0,
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] | agm004130216 | [
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"Cd",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
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] | -13.429401 | -13.429401 | [
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[
0,
0,
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0,
0,
0
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] | pbe | true | 123 | agm004130216-pbe-0 | 0 | 0 |
[
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"In",
"Tc"
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1,
1,
1
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3.00042284,
0,
0
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0,
3.00042284,
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"Cd",
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"In",
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0.25
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0,
0
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0,
0,
0
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] | pbe | true | 123 | agm004130216-pbe-1 | 1 | 0 |
[
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"Tc"
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1,
1,
1
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3.00023124,
0,
0
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0,
3.00023124,
0
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] | agm004130216 | [
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"Cd",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
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0,
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0
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] | pbe | true | 123 | agm004130216-pbe-2 | 2 | 0 |
[
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"In",
"Tc"
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1,
1,
1
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3.00103534,
0,
0
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[
0,
3.00103534,
0
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[
0,
0,
9.30453109
]
] | agm004130216 | [
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6.9783983175
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.0211595,
0,
0
],
[
0,
-0.0211595,
0
],
[
0,
0,
0.13865315
]
] | -13.429463 | -13.429463 | [
[
0,
0,
-0.00657131
],
[
0,
0,
0.00657131
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00150094,
0,
0
],
[
0,
3.00150094,
0
],
[
0,
0,
9.30628578
]
] | agm004130216 | [
[
0,
0,
8.967359972052463
],
[
0,
0,
4.992068697947535
],
[
1.50075047,
1.50075047,
2.326571445
],
[
1.50075047,
1.50075047,
6.979714335
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.29003873,
0,
0
],
[
0,
-0.29003873,
0
],
[
0,
0,
-0.08045865
]
] | -13.429465 | -13.429465 | [
[
0,
0,
-0.00828124
],
[
0,
0,
0.00828124
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00243215,
0,
0
],
[
0,
3.00243215,
0
],
[
0,
0,
9.30979517
]
] | agm004130216 | [
[
0,
0,
8.969714776198566
],
[
0,
0,
4.994977978801432
],
[
1.501216075,
1.501216075,
2.3274487925
],
[
1.501216075,
1.501216075,
6.982346377499999
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.8513279,
0,
0
],
[
0,
-0.8513279,
0
],
[
0,
0,
-0.54904651
]
] | -13.429447 | -13.429447 | [
[
0,
0,
-0.00785581
],
[
0,
0,
0.00785581
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00169738,
0,
0
],
[
0,
3.00169738,
0
],
[
0,
0,
9.30702608
]
] | agm004130216 | [
[
0,
0,
8.967856550414556
],
[
0,
0,
4.992682569585445
],
[
1.50084869,
1.50084869,
2.32675652
],
[
1.50084869,
1.50084869,
6.98026956
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.40876034,
0,
0
],
[
0,
-0.40876034,
0
],
[
0,
0,
-0.17726357
]
] | -13.429464 | -13.429464 | [
[
0,
0,
-0.00115257
],
[
0,
0,
0.00115257
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-6 | 6 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00155861,
0,
0
],
[
0,
3.00155861,
0
],
[
0,
0,
9.3065031
]
] | agm004130216 | [
[
0,
0,
8.967505534859772
],
[
0,
0,
4.992249115140228
],
[
1.500779305,
1.500779305,
2.326625775
],
[
1.500779305,
1.500779305,
6.979877325
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.31225943,
0,
0
],
[
0,
-0.31225943,
0
],
[
0,
0,
-0.08871531
]
] | -13.429465 | -13.429465 | [
[
0,
0,
-0.00437316
],
[
0,
0,
0.00437316
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-7 | 7 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00155861,
0,
0
],
[
0,
3.00155861,
0
],
[
0,
0,
9.3065031
]
] | agm004130216 | [
[
0,
0,
8.967505534859772
],
[
0,
0,
4.992249115140228
],
[
1.500779305,
1.500779305,
2.326625775
],
[
1.500779305,
1.500779305,
6.979877325
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.34308127,
0,
0
],
[
0,
-0.34308127,
0
],
[
0,
0,
-0.10309965
]
] | -13.429992 | -13.429992 | [
[
0,
0,
-0.00982999
],
[
0,
0,
0.00982999
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-8 | 8 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
3.00090865,
0,
0
],
[
0,
3.00090865,
0
],
[
0,
0,
9.3058975
]
] | agm004130216 | [
[
0,
0,
8.9664477658361
],
[
0,
0,
4.9923984841639
],
[
1.500454325,
1.500454325,
2.326474375
],
[
1.500454325,
1.500454325,
6.979423125
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.22228274,
0,
0
],
[
0,
0.22228274,
0
],
[
0,
0,
0.34578986
]
] | -13.429998 | -13.429998 | [
[
0,
0,
-0.00331835
],
[
0,
0,
0.00331835
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 123 | agm004130216-pbe-9 | 9 | 1 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.997466,
0,
0
],
[
0,
4.427367,
0
],
[
0,
0,
5.912738
]
] | agm004130225 | [
[
0,
0,
5.802467091866641
],
[
0,
0,
3.06663990813336
],
[
1.498733,
2.2136835,
1.4781845
],
[
1.498733,
2.2136835,
4.4345535
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-4.02479508,
0,
0
],
[
0,
2.25248723,
0
],
[
0,
0,
2.04097172
]
] | -13.324835 | -13.324835 | [
[
0,
0,
0.00572324
],
[
0,
0,
-0.00572324
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-0 | 0 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.99033998,
0,
0
],
[
0,
4.43325756,
0
],
[
0,
0,
5.91986611
]
] | agm004130225 | [
[
0,
0,
5.809738722358348
],
[
0,
0,
3.0700604426416525
],
[
1.49516999,
2.21662878,
1.4799665275
],
[
1.49516999,
2.21662878,
4.4398995825
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-2.74391371,
0,
0
],
[
0,
1.49870273,
0
],
[
0,
0,
0.35875611
]
] | -13.325422 | -13.325422 | [
[
0,
0,
-0.00906977
],
[
0,
0,
0.00906977
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-1 | 1 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.98023696,
0,
0
],
[
0,
4.441609,
0
],
[
0,
0,
5.92997211
]
] | agm004130225 | [
[
0,
0,
5.820048809994141
],
[
0,
0,
3.0749093550058584
],
[
1.49011848,
2.2208045,
1.4824930275
],
[
1.49011848,
2.2208045,
4.447479082499999
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.675872,
0,
0
],
[
0,
0.40542205,
0
],
[
0,
0,
-2.00513381
]
] | -13.325711 | -13.325711 | [
[
0,
0,
-0.02856721
],
[
0,
0,
0.02856721
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-2 | 2 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.97572934,
0,
0
],
[
0,
4.44546024,
0
],
[
0,
0,
5.9239608
]
] | agm004130225 | [
[
0,
0,
5.8124978046923035
],
[
0,
0,
3.073443395307696
],
[
1.48786467,
2.22273012,
1.4809902
],
[
1.48786467,
2.22273012,
4.4429706
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
1.39025201,
0,
0
],
[
0,
1.18511707,
0
],
[
0,
0,
0.63846149
]
] | -13.3258 | -13.3258 | [
[
0,
0,
0.00487353
],
[
0,
0,
-0.00487353
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-3 | 3 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.97686271,
0,
0
],
[
0,
4.44449191,
0
],
[
0,
0,
5.92547225
]
] | agm004130225 | [
[
0,
0,
5.814396487701792
],
[
0,
0,
3.073811887298208
],
[
1.488431355,
2.222245955,
1.4813680625
],
[
1.488431355,
2.222245955,
4.444104187500001
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.86789755,
0,
0
],
[
0,
0.9768456,
0
],
[
0,
0,
-0.02383912
]
] | -13.325811 | -13.325811 | [
[
0,
0,
-0.00572203
],
[
0,
0,
0.00572203
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-4 | 4 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.97790194,
0,
0
],
[
0,
4.44831659,
0
],
[
0,
0,
5.92427746
]
] | agm004130225 | [
[
0,
0,
5.812586938561071
],
[
0,
0,
3.073829251438929
],
[
1.48895097,
2.224158295,
1.481069365
],
[
1.48895097,
2.224158295,
4.443208095
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.13205038,
0,
0
],
[
0,
-0.33762536,
0
],
[
0,
0,
-0.21423544
]
] | -13.325832 | -13.325832 | [
[
0,
0,
0.0031243
],
[
0,
0,
-0.0031243
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-5 | 5 | 0 |
[
"Cd",
"In",
"Tc"
] | 4 | A2BC | CdInTc | Cd2 In Tc | 3 | [
1,
1,
1
] | 3 | [
[
2.97790194,
0,
0
],
[
0,
4.44831659,
0
],
[
0,
0,
5.92427746
]
] | agm004130225 | [
[
0,
0,
5.812586938561071
],
[
0,
0,
3.073829251438929
],
[
1.48895097,
2.224158295,
1.481069365
],
[
1.48895097,
2.224158295,
4.443208095
]
] | [{"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",
"Cd",
"In",
"Tc"
] | 2024-04-27 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.01442758,
0,
0
],
[
0,
-0.34032579,
0
],
[
0,
0,
-0.30324279
]
] | -13.326141 | -13.326141 | [
[
0,
0,
0.00128478
],
[
0,
0,
-0.00128478
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130225-pbe-6 | 6 | 1 |
[
"Au",
"Fe",
"Ni"
] | 4 | A2BC | AuFeNi | Fe Ni2 Au | 3 | [
1,
1,
1
] | 3 | [
[
4.54522439,
0.00664914,
-0.01460407
],
[
3.74435309,
2.57661191,
-0.01460407
],
[
0.85672039,
0.26697771,
4.4744468
]
] | agm004130235 | [
[
4.5783153294088095,
1.426729371038312,
2.199632624136684
],
[
6.829577499434507,
2.1282847748814024,
3.460525985008842
],
[
9.132897109714854,
2.8460627133726035,
4.427091248735926
],
[
2.324954662113259,
0.7245200175448483,
1.0258468371550982
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Au",
"Fe",
"Ni",
"Ni"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
-0.44627706,
0.01384707,
0.15687101
],
[
0.01384707,
-0.48639659,
0.04888534
],
[
0.15687104,
0.04888534,
-0.70483414
]
] | -22.937838 | -22.937838 | [
[
0.00395826,
0.0012335,
0.0011902
],
[
0.00258913,
0.00080684,
-0.00139817
],
[
-0.00190475,
-0.00059357,
0.00040289
],
[
-0.00464263,
-0.00144677,
-0.00019492
]
] | pbe | true | 8 | agm004130235-pbe-0 | 0 | 0 |
[
"Au",
"Fe",
"Ni"
] | 4 | A2BC | AuFeNi | Fe Ni2 Au | 3 | [
1,
1,
1
] | 3 | [
[
4.54442455,
0.00667237,
-0.01431904
],
[
3.74370804,
2.57613841,
-0.01431904
],
[
0.85684772,
0.26701739,
4.47326265
]
] | agm004130235 | [
[
4.577845195487381,
1.4265828633559043,
2.1993897078667923
],
[
6.828727329985206,
2.1280198371891355,
3.4599608312023324
],
[
9.131488940718814,
2.8456238871106097,
4.426500719250566
],
[
2.324389400258399,
0.7243438658426322,
1.0257102111265546
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Au",
"Fe",
"Ni",
"Ni"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.66819654,
-0.02555419,
0.04920997
],
[
-0.02555419,
0.74223548,
0.01533518
],
[
0.04921022,
0.01533526,
0.52899474
]
] | -22.937841 | -22.937841 | [
[
0.00332158,
0.00103509,
0.00171927
],
[
0.00162441,
0.00050621,
-0.00334263
],
[
-0.00272661,
-0.00084969,
0.00075223
],
[
-0.00221938,
-0.00069162,
0.00087113
]
] | pbe | true | 8 | agm004130235-pbe-1 | 1 | 0 |
[
"Au",
"Fe",
"Ni"
] | 4 | A2BC | AuFeNi | Fe Ni2 Au | 3 | [
1,
1,
1
] | 3 | [
[
4.54471572,
0.00666392,
-0.0144228
],
[
3.74394286,
2.57631078,
-0.0144228
],
[
0.85680137,
0.26700294,
4.47369373
]
] | agm004130235 | [
[
4.578016346238053,
1.4266361991624832,
2.1994781502927987
],
[
6.8290368346590915,
2.1281162878748088,
3.4601665862467246
],
[
9.13200153484179,
2.845783626540695,
4.426715724977382
],
[
2.3245951763970947,
0.7244079917620724,
1.0257599529569699
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Au",
"Fe",
"Ni",
"Ni"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.03861278,
-0.01023401,
0.11247324
],
[
-0.01023401,
0.0682641,
0.03504976
],
[
0.11247349,
0.03504984,
-0.16507926
]
] | -22.937843 | -22.937843 | [
[
0.00233706,
0.00072829,
0.00111036
],
[
0.00260946,
0.00081318,
-0.00194621
],
[
-0.00144324,
-0.00044975,
0.00058431
],
[
-0.00350328,
-0.00109172,
0.00025155
]
] | pbe | true | 8 | agm004130235-pbe-2 | 2 | 0 |
[
"Au",
"Fe",
"Ni"
] | 4 | A2BC | AuFeNi | Fe Ni2 Au | 3 | [
1,
1,
1
] | 3 | [
[
4.54471572,
0.00666392,
-0.0144228
],
[
3.74394286,
2.57631078,
-0.0144228
],
[
0.85680137,
0.26700294,
4.47369373
]
] | agm004130235 | [
[
4.578016346238053,
1.4266361991624832,
2.1994781502927987
],
[
6.8290368346590915,
2.1281162878748088,
3.4601665862467246
],
[
9.13200153484179,
2.845783626540695,
4.426715724977382
],
[
2.3245951763970947,
0.7244079917620724,
1.0257599529569699
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Au",
"Fe",
"Ni",
"Ni"
] | 2024-04-26 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
0.16593014,
-0.00479461,
0.09347875
],
[
-0.00479461,
0.17982172,
0.02913056
],
[
0.09347869,
0.02913054,
-0.04922946
]
] | -22.93774 | -22.93774 | [
[
0.00259117,
0.00080748,
0.00144932
],
[
0.00146449,
0.00045638,
-0.00077386
],
[
-0.00185283,
-0.00057739,
-0.00015692
],
[
-0.00220283,
-0.00068646,
-0.00051854
]
] | pbe | true | 8 | agm004130235-pbe-3 | 3 | 1 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.750235,
0,
0
],
[
0,
4.599018,
0
],
[
0,
0,
5.086906
]
] | agm004130251 | [
[
0,
3.4492635,
3.2833956184865
],
[
0,
1.1497545,
1.8035103815134998
],
[
1.3751175,
3.4492635,
0.6711018756719199
],
[
1.3751175,
1.1497545,
4.41580412432808
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.32591559,
0,
0
],
[
0,
3.38865461,
0
],
[
0,
0,
3.64820792
]
] | -19.157644 | -19.157644 | [
[
0,
0,
0.01451322
],
[
0,
0,
-0.01451322
],
[
0,
0,
-0.02996596
],
[
0,
0,
0.02996596
]
] | pbe | true | 51 | agm004130251-pbe-0 | 0 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74980087,
0,
0
],
[
0,
4.60656617,
0
],
[
0,
0,
5.0958944
]
] | agm004130251 | [
[
0,
3.4549246274999996,
3.289898672302816
],
[
0,
1.1516415425,
1.8059957276971839
],
[
1.374900435,
3.4549246274999996,
0.670839488965472
],
[
1.374900435,
1.1516415425,
4.425054911034527
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-3.04209103,
0,
0
],
[
0,
-2.72501673,
0
],
[
0,
0,
-1.30842264
]
] | -19.157835 | -19.157835 | [
[
0,
0,
-0.00255755
],
[
0,
0,
0.00255755
],
[
0,
0,
-0.02338563
],
[
0,
0,
0.02338563
]
] | pbe | true | 51 | agm004130251-pbe-1 | 1 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74645131,
0,
0
],
[
0,
4.60245191,
0
],
[
0,
0,
5.10141531
]
] | agm004130251 | [
[
0,
3.4518389325000003,
3.2926730570030958
],
[
0,
1.1506129775,
1.8087422529969044
],
[
1.373225655,
3.4518389325000003,
0.6685586374140037
],
[
1.373225655,
1.1506129775,
4.432856672585997
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.01197326,
0,
0
],
[
0,
-0.3127438,
0
],
[
0,
0,
-0.42058719
]
] | -19.158029 | -19.158029 | [
[
0,
0,
-0.00705459
],
[
0,
0,
0.00705459
],
[
0,
0,
0.00352185
],
[
0,
0,
-0.00352185
]
] | pbe | true | 51 | agm004130251-pbe-10 | 10 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74643537,
0,
0
],
[
0,
4.60268973,
0
],
[
0,
0,
5.1007594
]
] | agm004130251 | [
[
0,
3.4520172975,
3.292371714617018
],
[
0,
1.1506724325,
1.8083876853829823
],
[
1.373217685,
3.4520172975,
0.668699916904734
],
[
1.373217685,
1.1506724325,
4.432059483095266
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.08642575,
0,
0
],
[
0,
-0.51161341,
0
],
[
0,
0,
-0.49435915
]
] | -19.158026 | -19.158026 | [
[
0,
0,
-0.00940304
],
[
0,
0,
0.00940304
],
[
0,
0,
0.00190896
],
[
0,
0,
-0.00190896
]
] | pbe | true | 51 | agm004130251-pbe-11 | 11 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74632835,
0,
0
],
[
0,
4.60106376,
0
],
[
0,
0,
5.10031667
]
] | agm004130251 | [
[
0,
3.45079782,
3.291401229512442
],
[
0,
1.15026594,
1.8089154404875574
],
[
1.373164175,
3.45079782,
0.6684217461710165
],
[
1.373164175,
1.15026594,
4.431894923828983
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.51155492,
0,
0
],
[
0,
0.94721115,
0
],
[
0,
0,
0.32929918
]
] | -19.158035 | -19.158035 | [
[
0,
0,
-0.00334561
],
[
0,
0,
0.00334561
],
[
0,
0,
-0.00771749
],
[
0,
0,
0.00771749
]
] | pbe | true | 51 | agm004130251-pbe-12 | 12 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74634971,
0,
0
],
[
0,
4.60138828,
0
],
[
0,
0,
5.10040503
]
] | agm004130251 | [
[
0,
3.45104121,
3.2915949419663857
],
[
0,
1.15034707,
1.8088100880336144
],
[
1.373174855,
3.45104121,
0.6684772406737068
],
[
1.373174855,
1.15034707,
4.431927789326293
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.49559911,
0,
0
],
[
0,
0.83591986,
0
],
[
0,
0,
0.28380367
]
] | -19.158035 | -19.158035 | [
[
0,
0,
-0.0039256
],
[
0,
0,
0.0039256
],
[
0,
0,
-0.00412458
],
[
0,
0,
0.00412458
]
] | pbe | true | 51 | agm004130251-pbe-13 | 13 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74636973,
0,
0
],
[
0,
4.60169237,
0
],
[
0,
0,
5.10048783
]
] | agm004130251 | [
[
0,
3.4512692775000002,
3.291776450984053
],
[
0,
1.1504230925,
1.8087113790159468
],
[
1.373184865,
3.4512692775000002,
0.6685293046781411
],
[
1.373184865,
1.1504230925,
4.431958525321858
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.39166906,
0,
0
],
[
0,
0.43829832,
0
],
[
0,
0,
0.08775872
]
] | -19.158035 | -19.158035 | [
[
0,
0,
-0.00132511
],
[
0,
0,
0.00132511
],
[
0,
0,
-0.00514061
],
[
0,
0,
0.00514061
]
] | pbe | true | 51 | agm004130251-pbe-14 | 14 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74638559,
0,
0
],
[
0,
4.60193346,
0
],
[
0,
0,
5.10055347
]
] | agm004130251 | [
[
0,
3.4514500949999998,
3.2919203150452194
],
[
0,
1.150483365,
1.8086331549547812
],
[
1.373192795,
3.4514500949999998,
0.6685705517627989
],
[
1.373192795,
1.150483365,
4.4319829182372015
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.3444728,
0,
0
],
[
0,
0.37025074,
0
],
[
0,
0,
0.04303849
]
] | -19.158034 | -19.158034 | [
[
0,
0,
-0.00942138
],
[
0,
0,
0.00942138
],
[
0,
0,
-0.00613583
],
[
0,
0,
0.00613583
]
] | pbe | true | 51 | agm004130251-pbe-15 | 15 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74637356,
0,
0
],
[
0,
4.60175058,
0
],
[
0,
0,
5.10050368
]
] | agm004130251 | [
[
0,
3.451312935,
3.2918111627481026
],
[
0,
1.150437645,
1.8086925172518977
],
[
1.37318678,
3.451312935,
0.6685392369393025
],
[
1.37318678,
1.150437645,
4.431964443060697
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.26625138,
0,
0
],
[
0,
0.33762877,
0
],
[
0,
0,
-0.01380621
]
] | -19.158034 | -19.158034 | [
[
0,
0,
-0.0061491
],
[
0,
0,
0.0061491
],
[
0,
0,
-0.00812313
],
[
0,
0,
0.00812313
]
] | pbe | true | 51 | agm004130251-pbe-16 | 16 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74637091,
0,
0
],
[
0,
4.60171042,
0
],
[
0,
0,
5.10049274
]
] | agm004130251 | [
[
0,
3.451282815,
3.2917872195567686
],
[
0,
1.150427605,
1.8087055204432312
],
[
1.373185455,
3.451282815,
0.6685323454714813
],
[
1.373185455,
1.150427605,
4.431960394528518
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.00290626,
0,
0
],
[
0,
0.56010681,
0
],
[
0,
0,
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]
] | -19.158034 | -19.158034 | [
[
0,
0,
0.01581852
],
[
0,
0,
-0.01581852
],
[
0,
0,
-0.00040102
],
[
0,
0,
0.00040102
]
] | pbe | true | 51 | agm004130251-pbe-17 | 17 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74637305,
0,
0
],
[
0,
4.60174287,
0
],
[
0,
0,
5.10050158
]
] | agm004130251 | [
[
0,
3.4513071525,
3.291806594114304
],
[
0,
1.1504357175,
1.8086949858856962
],
[
1.373186525,
3.4513071525,
0.6685379415853084
],
[
1.373186525,
1.1504357175,
4.431963638414692
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.2995601,
0,
0
],
[
0,
0.32364081,
0
],
[
0,
0,
-0.00045238
]
] | -19.158035 | -19.158035 | [
[
0,
0,
-0.00680832
],
[
0,
0,
0.00680832
],
[
0,
0,
-0.00723854
],
[
0,
0,
0.00723854
]
] | pbe | true | 51 | agm004130251-pbe-18 | 18 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74637198,
0,
0
],
[
0,
4.60172665,
0
],
[
0,
0,
5.10049716
]
] | agm004130251 | [
[
0,
3.4512949875,
3.2917969068296133
],
[
0,
1.1504316625,
1.8087002531703862
],
[
1.37318599,
3.4512949875,
0.668535169028958
],
[
1.37318599,
1.1504316625,
4.431961990971042
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.37075742,
0,
0
],
[
0,
0.65884586,
0
],
[
0,
0,
0.1227586
]
] | -19.158035 | -19.158035 | [
[
0,
0,
0.00361691
],
[
0,
0,
-0.00361691
],
[
0,
0,
-0.00394089
],
[
0,
0,
0.00394089
]
] | pbe | true | 51 | agm004130251-pbe-19 | 19 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74991272,
0,
0
],
[
0,
4.60462146,
0
],
[
0,
0,
5.09357864
]
] | agm004130251 | [
[
0,
3.4534660949999996,
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],
[
0,
1.151155365,
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],
[
1.37495636,
3.4534660949999996,
0.6709069247335407
],
[
1.37495636,
1.151155365,
4.422671715266459
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-2.31296256,
0,
0
],
[
0,
-1.11976811,
0
],
[
0,
0,
0.00954596
]
] | -19.15786 | -19.15786 | [
[
0,
0,
0.00162025
],
[
0,
0,
-0.00162025
],
[
0,
0,
-0.02235809
],
[
0,
0,
0.02235809
]
] | pbe | true | 51 | agm004130251-pbe-2 | 2 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74637267,
0,
0
],
[
0,
4.60173713,
0
],
[
0,
0,
5.10050002
]
] | agm004130251 | [
[
0,
3.4513028475,
3.2918031390677664
],
[
0,
1.1504342825,
1.8086968809322335
],
[
1.373186335,
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0.6685369210314565
],
[
1.373186335,
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4.431963098968544
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.37580795,
0,
0
],
[
0,
0.44700873,
0
],
[
0,
0,
0.08507064
]
] | -19.158035 | -19.158035 | [
[
0,
0,
-0.00412206
],
[
0,
0,
0.00412206
],
[
0,
0,
-0.00636078
],
[
0,
0,
0.00636078
]
] | pbe | true | 51 | agm004130251-pbe-20 | 20 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.7467245,
0,
0
],
[
0,
4.60157062,
0
],
[
0,
0,
5.10040358
]
] | agm004130251 | [
[
0,
3.4511779650000003,
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[
0,
1.150392655,
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[
1.37336225,
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0.668133232426217
],
[
1.37336225,
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4.432270347573783
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.01121596,
0,
0
],
[
0,
0.53349269,
0
],
[
0,
0,
0.08769375
]
] | -19.158044 | -19.158044 | [
[
0,
0,
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[
0,
0,
0.00090326
],
[
0,
0,
-0.01056099
],
[
0,
0,
0.01056099
]
] | pbe | true | 51 | agm004130251-pbe-21 | 21 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74777997,
0,
0
],
[
0,
4.60107108,
0
],
[
0,
0,
5.10011426
]
] | agm004130251 | [
[
0,
3.4508033099999995,
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],
[
0,
1.15026777,
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],
[
1.373889985,
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0.6669221023357286
],
[
1.373889985,
1.15026777,
4.433192157664271
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-1.07056893,
0,
0
],
[
0,
0.85110532,
0
],
[
0,
0,
0.12874432
]
] | -19.158028 | -19.158028 | [
[
0,
0,
0.00944163
],
[
0,
0,
-0.00944163
],
[
0,
0,
-0.00891166
],
[
0,
0,
0.00891166
]
] | pbe | true | 51 | agm004130251-pbe-22 | 22 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74718655,
0,
0
],
[
0,
4.60135193,
0
],
[
0,
0,
5.10027692
]
] | agm004130251 | [
[
0,
3.4510139475,
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[
0,
1.1503379825,
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],
[
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3.4510139475,
0.667603042568014
],
[
1.373593275,
1.1503379825,
4.432673877431986
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.45241024,
0,
0
],
[
0,
0.62646788,
0
],
[
0,
0,
0.06471566
]
] | -19.158045 | -19.158045 | [
[
0,
0,
0.00522468
],
[
0,
0,
-0.00522468
],
[
0,
0,
-0.0003869
],
[
0,
0,
0.0003869
]
] | pbe | true | 51 | agm004130251-pbe-23 | 23 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74694787,
0,
0
],
[
0,
4.6014649,
0
],
[
0,
0,
5.10034235
]
] | agm004130251 | [
[
0,
3.451098675,
3.2907426183363993
],
[
0,
1.150366225,
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],
[
1.373473935,
3.451098675,
0.6678769268663546
],
[
1.373473935,
1.150366225,
4.432465423133646
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.27979729,
0,
0
],
[
0,
0.59496728,
0
],
[
0,
0,
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]
] | -19.158046 | -19.158046 | [
[
0,
0,
0.0022782
],
[
0,
0,
-0.0022782
],
[
0,
0,
-0.00033567
],
[
0,
0,
0.00033567
]
] | pbe | true | 51 | agm004130251-pbe-24 | 24 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74686765,
0,
0
],
[
0,
4.60150287,
0
],
[
0,
0,
5.10036434
]
] | agm004130251 | [
[
0,
3.4511271525,
3.29089053784487
],
[
0,
1.1503757175,
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],
[
1.373433825,
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0.6679689607698829
],
[
1.373433825,
1.1503757175,
4.432395379230117
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.17512742,
0,
0
],
[
0,
0.51232849,
0
],
[
0,
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]
] | -19.158045 | -19.158045 | [
[
0,
0,
0.00170253
],
[
0,
0,
-0.00170253
],
[
0,
0,
-0.00879005
],
[
0,
0,
0.00879005
]
] | pbe | true | 51 | agm004130251-pbe-25 | 25 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74689986,
0,
0
],
[
0,
4.60148762,
0
],
[
0,
0,
5.10035551
]
] | agm004130251 | [
[
0,
3.4511157150000003,
3.2908311847543805
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[
0,
1.150371905,
1.8095243252456197
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[
1.37344993,
3.4511157150000003,
0.6679320508572494
],
[
1.37344993,
1.150371905,
4.4324234591427505
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.32721685,
0,
0
],
[
0,
0.45657169,
0
],
[
0,
0,
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]
] | -19.158045 | -19.158045 | [
[
0,
0,
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],
[
0,
0,
0.00470759
],
[
0,
0,
-0.0060974
],
[
0,
0,
0.0060974
]
] | pbe | true | 51 | agm004130251-pbe-26 | 26 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74692986,
0,
0
],
[
0,
4.60147342,
0
],
[
0,
0,
5.10034729
]
] | agm004130251 | [
[
0,
3.4511050649999997,
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[
0,
1.150368355,
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[
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0.667897618111706
],
[
1.37346493,
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4.4324496718882935
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.39316134,
0,
0
],
[
0,
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],
[
0,
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-0.12550407
]
] | -19.158046 | -19.158046 | [
[
0,
0,
-0.00190099
],
[
0,
0,
0.00190099
],
[
0,
0,
-0.00539945
],
[
0,
0,
0.00539945
]
] | pbe | true | 51 | agm004130251-pbe-27 | 27 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74693804,
0,
0
],
[
0,
4.60146955,
0
],
[
0,
0,
5.10034504
]
] | agm004130251 | [
[
0,
3.4511021625,
3.290760777036342
],
[
0,
1.1503673875,
1.8095842629636574
],
[
1.37346902,
3.4511021625,
0.6678881938534343
],
[
1.37346902,
1.1503673875,
4.432456846146565
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.32554374,
0,
0
],
[
0,
0.36728499,
0
],
[
0,
0,
-0.12914194
]
] | -19.158046 | -19.158046 | [
[
0,
0,
-0.00771719
],
[
0,
0,
0.00771719
],
[
0,
0,
-0.00843451
],
[
0,
0,
0.00843451
]
] | pbe | true | 51 | agm004130251-pbe-28 | 28 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.7469453,
0,
0
],
[
0,
4.60146611,
0
],
[
0,
0,
5.10034305
]
] | agm004130251 | [
[
0,
3.4510995824999995,
3.2907473542647994
],
[
0,
1.1503665275,
1.809595695735201
],
[
1.37347265,
3.4510995824999995,
0.6678798747216915
],
[
1.37347265,
1.1503665275,
4.432463175278309
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.362676,
0,
0
],
[
0,
0.46974739,
0
],
[
0,
0,
-0.03706149
]
] | -19.158046 | -19.158046 | [
[
0,
0,
0.00712006
],
[
0,
0,
-0.00712006
],
[
0,
0,
-0.00638491
],
[
0,
0,
0.00638491
]
] | pbe | true | 51 | agm004130251-pbe-29 | 29 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74686594,
0,
0
],
[
0,
4.60429895,
0
],
[
0,
0,
5.09604458
]
] | agm004130251 | [
[
0,
3.4532242124999994,
3.290079611008615
],
[
0,
1.1510747375,
1.8059649689913855
],
[
1.37343297,
3.4532242124999994,
0.6698155382403056
],
[
1.37343297,
1.1510747375,
4.426229041759695
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.34387089,
0,
0
],
[
0,
-0.48950353,
0
],
[
0,
0,
0.56044636
]
] | -19.15797 | -19.15797 | [
[
0,
0,
-0.00804384
],
[
0,
0,
0.00804384
],
[
0,
0,
-0.02153107
],
[
0,
0,
0.02153107
]
] | pbe | true | 51 | agm004130251-pbe-3 | 3 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74694167,
0,
0
],
[
0,
4.60146783,
0
],
[
0,
0,
5.10034405
]
] | agm004130251 | [
[
0,
3.4511008724999996,
3.290754068875399
],
[
0,
1.1503669575,
1.8095899811246015
],
[
1.373470835,
3.4511008724999996,
0.667884034941521
],
[
1.373470835,
1.1503669575,
4.43246001505848
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.18331758,
0,
0
],
[
0,
0.57710419,
0
],
[
0,
0,
0.07872296
]
] | -19.158046 | -19.158046 | [
[
0,
0,
-0.00187336
],
[
0,
0,
0.00187336
],
[
0,
0,
-0.00853772
],
[
0,
0,
0.00853772
]
] | pbe | true | 51 | agm004130251-pbe-30 | 30 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74694365,
0,
0
],
[
0,
4.6014669,
0
],
[
0,
0,
5.10034351
]
] | agm004130251 | [
[
0,
3.451100175,
3.290750405242837
],
[
0,
1.150366725,
1.809593104757163
],
[
1.373471825,
3.451100175,
0.6678817710814489
],
[
1.373471825,
1.150366725,
4.432461738918551
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.23200861,
0,
0
],
[
0,
0.57020536,
0
],
[
0,
0,
0.06849007
]
] | -19.158046 | -19.158046 | [
[
0,
0,
0.00253351
],
[
0,
0,
-0.00253351
],
[
0,
0,
-0.00575011
],
[
0,
0,
0.00575011
]
] | pbe | true | 51 | agm004130251-pbe-31 | 31 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74682653,
0,
0
],
[
0,
4.60257901,
0
],
[
0,
0,
5.10045508
]
] | agm004130251 | [
[
0,
3.4519342575000005,
3.2906488729169157
],
[
0,
1.1506447525,
1.8098062070830838
],
[
1.373413265,
3.4519342575000005,
0.6674441236413776
],
[
1.373413265,
1.1506447525,
4.433010956358622
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.32873506,
0,
0
],
[
0,
0.03518198,
0
],
[
0,
0,
-0.06959706
]
] | -19.158052 | -19.158052 | [
[
0,
0,
-0.00090748
],
[
0,
0,
0.00090748
],
[
0,
0,
-0.00317929
],
[
0,
0,
0.00317929
]
] | pbe | true | 51 | agm004130251-pbe-32 | 32 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74682653,
0,
0
],
[
0,
4.60257901,
0
],
[
0,
0,
5.10045508
]
] | agm004130251 | [
[
0,
3.4519342575000005,
3.2906488729169157
],
[
0,
1.1506447525,
1.8098062070830838
],
[
1.373413265,
3.4519342575000005,
0.6674441236413776
],
[
1.373413265,
1.1506447525,
4.433010956358622
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.37676586,
0,
0
],
[
0,
-0.017136,
0
],
[
0,
0,
-0.16173882
]
] | -19.159237 | -19.159237 | [
[
0,
0,
-0.00068267
],
[
0,
0,
0.00068267
],
[
0,
0,
-0.00222605
],
[
0,
0,
0.00222605
]
] | pbe | true | 51 | agm004130251-pbe-33 | 33 | 1 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74519874,
0,
0
],
[
0,
4.60412247,
0
],
[
0,
0,
5.09739394
]
] | agm004130251 | [
[
0,
3.4530918525,
3.2910953902809954
],
[
0,
1.1510306175,
1.8062985497190045
],
[
1.37259937,
3.4530918525,
0.6692180919729008
],
[
1.37259937,
1.1510306175,
4.4281758480271
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
1.78896481,
0,
0
],
[
0,
-0.11238517,
0
],
[
0,
0,
0.91903014
]
] | -19.157966 | -19.157966 | [
[
0,
0,
-0.01605092
],
[
0,
0,
0.01605092
],
[
0,
0,
-0.01411951
],
[
0,
0,
0.01411951
]
] | pbe | true | 51 | agm004130251-pbe-4 | 4 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74579657,
0,
0
],
[
0,
4.60418575,
0
],
[
0,
0,
5.09691008
]
] | agm004130251 | [
[
0,
3.4531393125000003,
3.2907311540093054
],
[
0,
1.1510464375,
1.8061789259906942
],
[
1.372898285,
3.4531393125000003,
0.6694322984043648
],
[
1.372898285,
1.1510464375,
4.427477781595635
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
1.25851188,
0,
0
],
[
0,
-0.31041609,
0
],
[
0,
0,
0.67944113
]
] | -19.157973 | -19.157973 | [
[
0,
0,
-0.01308263
],
[
0,
0,
0.01308263
],
[
0,
0,
-0.00321899
],
[
0,
0,
0.00321899
]
] | pbe | true | 51 | agm004130251-pbe-5 | 5 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74633125,
0,
0
],
[
0,
4.60424235,
0
],
[
0,
0,
5.09647733
]
] | agm004130251 | [
[
0,
3.4531817625,
3.290405378570935
],
[
0,
1.1510605875,
1.806071951429065
],
[
1.373165625,
3.4531817625,
0.6696238629739014
],
[
1.373165625,
1.1510605875,
4.426853467026098
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.79435202,
0,
0
],
[
0,
-0.36069166,
0
],
[
0,
0,
0.68953902
]
] | -19.157974 | -19.157974 | [
[
0,
0,
-0.01148685
],
[
0,
0,
0.01148685
],
[
0,
0,
-0.00843296
],
[
0,
0,
0.00843296
]
] | pbe | true | 51 | agm004130251-pbe-6 | 6 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74639125,
0,
0
],
[
0,
4.60334765,
0
],
[
0,
0,
5.09894487
]
] | agm004130251 | [
[
0,
3.4525107375,
3.2915392183436585
],
[
0,
1.1508369125,
1.8074056516563421
],
[
1.373195625,
3.4525107375,
0.6690928259210634
],
[
1.373195625,
1.1508369125,
4.429852044078936
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
0.40387895,
0,
0
],
[
0,
-0.28167781,
0
],
[
0,
0,
0.09571122
]
] | -19.158011 | -19.158011 | [
[
0,
0,
-0.01092631
],
[
0,
0,
0.01092631
],
[
0,
0,
-0.01282804
],
[
0,
0,
0.01282804
]
] | pbe | true | 51 | agm004130251-pbe-7 | 7 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74657124,
0,
0
],
[
0,
4.60066356,
0
],
[
0,
0,
5.10634751
]
] | agm004130251 | [
[
0,
3.45049767,
3.294938747376333
],
[
0,
1.15016589,
1.811408762623667
],
[
1.37328562,
3.45049767,
0.6674959252710385
],
[
1.37328562,
1.15016589,
4.438851584728962
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.77135068,
0,
0
],
[
0,
-0.15631449,
0
],
[
0,
0,
-1.62995122
]
] | -19.15801 | -19.15801 | [
[
0,
0,
-0.00706168
],
[
0,
0,
0.00706168
],
[
0,
0,
-0.00387532
],
[
0,
0,
0.00387532
]
] | pbe | true | 51 | agm004130251-pbe-8 | 8 | 0 |
[
"Ag",
"Rh"
] | 4 | AB | AgRh | Ag2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
2.74651138,
0,
0
],
[
0,
4.60155616,
0
],
[
0,
0,
5.10388574
]
] | agm004130251 | [
[
0,
3.45116712,
3.2938080250050774
],
[
0,
1.15038904,
1.8100777149949225
],
[
1.37325569,
3.45116712,
0.6680265764993513
],
[
1.37325569,
1.15038904,
4.435859163500648
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ag",
"Ag",
"Rh",
"Rh"
] | 2024-04-26 00:00:00 | [
0.5,
0.5
] | [
[
-0.40477128,
0,
0
],
[
0,
-0.26993822,
0
],
[
0,
0,
-1.00924951
]
] | -19.158029 | -19.158029 | [
[
0,
0,
-0.0056319
],
[
0,
0,
0.0056319
],
[
0,
0,
0.00466164
],
[
0,
0,
-0.00466164
]
] | pbe | true | 51 | agm004130251-pbe-9 | 9 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.19601,
0,
0
],
[
-1.47169408,
4.98323554,
0
],
[
0,
0,
2.994634
]
] | agm004130264 | [
[
-0.73584704,
2.49161777,
1.497317
],
[
0,
0,
0
],
[
1.8621579600000002,
2.49161777,
0
],
[
2.598005,
0,
1.497317
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-5.39102962,
-3.31023689,
0
],
[
-3.31023689,
-7.34624766,
0
],
[
0,
0,
13.28046264
]
] | -9.265301 | -9.265301 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-0 | 0 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17965963,
-0.01003956,
0
],
[
-1.47669152,
4.96471116,
0
],
[
0,
0,
3.01784761
]
] | agm004130264 | [
[
-0.73834576,
2.48235558,
1.508923805
],
[
0,
0,
0
],
[
1.8514840549999998,
2.4773358,
0
],
[
2.589829815,
-0.00501978,
1.508923805
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-2.0430261,
-4.75845427,
0
],
[
-4.75845427,
-4.85364539,
0
],
[
0,
0,
5.20401201
]
] | -9.271402 | -9.271402 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-1 | 1 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17940575,
-0.10278179,
0
],
[
-1.56556408,
4.93819978,
0
],
[
0,
0,
3.04244382
]
] | agm004130264 | [
[
-0.78278204,
2.46909989,
1.52122191
],
[
0,
0,
0
],
[
1.8069208350000001,
2.417708995,
0
],
[
2.589702875,
-0.051390895,
1.52122191
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.18268783,
0.3933869,
0
],
[
0.3933869,
0.41504496,
0
],
[
0,
0,
0.30644433
]
] | -9.279466 | -9.279466 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-10 | 10 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17925932,
-0.10285361,
0
],
[
-1.56559149,
4.93803901,
0
],
[
0,
0,
3.04318571
]
] | agm004130264 | [
[
-0.782795745,
2.469019505,
1.521592855
],
[
0,
0,
0
],
[
1.806833915,
2.4175926999999997,
0
],
[
2.58962966,
-0.051426805,
1.521592855
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.11855535,
0.37486023,
0
],
[
0.37486023,
0.33996956,
0
],
[
0,
0,
0.07025502
]
] | -9.279484 | -9.279484 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-11 | 11 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17925932,
-0.10285361,
0
],
[
-1.56559149,
4.93803901,
0
],
[
0,
0,
3.04318571
]
] | agm004130264 | [
[
-0.782795745,
2.469019505,
1.521592855
],
[
0,
0,
0
],
[
1.806833915,
2.4175926999999997,
0
],
[
2.58962966,
-0.051426805,
1.521592855
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.03686044,
0.73240379,
0
],
[
0.73240379,
0.46946063,
0
],
[
0,
0,
-0.51710933
]
] | -9.27809 | -9.27809 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-12 | 12 | 1 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17932661,
-0.10067328,
0
],
[
-1.5635195,
4.93872109,
0
],
[
0,
0,
3.04226953
]
] | agm004130264 | [
[
-0.78175975,
2.469360545,
1.521134765
],
[
0,
0,
0
],
[
1.8079035550000002,
2.419023905,
0
],
[
2.589663305,
-0.05033664,
1.521134765
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.00120801,
0.57182035,
0
],
[
0.57182035,
0.3389583,
0
],
[
0,
0,
-0.29314295
]
] | -9.278109 | -9.278109 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-13 | 13 | 1 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17951343,
-0.09461998,
0
],
[
-1.557767,
4.94061477,
0
],
[
0,
0,
3.03972593
]
] | agm004130264 | [
[
-0.7788835,
2.470307385,
1.519862965
],
[
0,
0,
0
],
[
1.810873215,
2.422997395,
0
],
[
2.589756715,
-0.04730999,
1.519862965
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-0.08968356,
0.01550012,
0
],
[
0.01550012,
-0.08052829,
0
],
[
0,
0,
0.37442132
]
] | -9.278143 | -9.278143 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-14 | 14 | 1 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17951343,
-0.09461998,
0
],
[
-1.557767,
4.94061477,
0
],
[
0,
0,
3.03972593
]
] | agm004130264 | [
[
-0.7788835,
2.470307385,
1.519862965
],
[
0,
0,
0
],
[
1.810873215,
2.422997395,
0
],
[
2.589756715,
-0.04730999,
1.519862965
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.03883807,
-0.03342922,
0
],
[
-0.03342922,
0.01909284,
0
],
[
0,
0,
0.5521079
]
] | -9.278161 | -9.278161 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-15 | 15 | 2 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.16398128,
-0.01966649,
0
],
[
-1.48148357,
4.94694814,
0
],
[
0,
0,
3.04010712
]
] | agm004130264 | [
[
-0.740741785,
2.47347407,
1.52005356
],
[
0,
0,
0
],
[
1.841248855,
2.463640825,
0
],
[
2.58199064,
-0.009833245,
1.52005356
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
1.32754497,
-5.78573672,
0
],
[
-5.78573672,
-2.08984696,
0
],
[
0,
0,
-2.19814593
]
] | -9.27364 | -9.27364 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-2 | 2 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.16189318,
-0.02094865,
0
],
[
-1.48212179,
4.94458239,
0
],
[
0,
0,
3.04307174
]
] | agm004130264 | [
[
-0.741060895,
2.472291195,
1.52153587
],
[
0,
0,
0
],
[
1.839885695,
2.46181687,
0
],
[
2.58094659,
-0.010474325,
1.52153587
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
1.8107376,
-5.93260229,
0
],
[
-5.93260229,
-1.69340166,
0
],
[
0,
0,
-2.96288848
]
] | -9.273679 | -9.273679 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-3 | 3 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.16282155,
-0.04623337,
0
],
[
-1.50663406,
4.93831122,
0
],
[
0,
0,
3.04511282
]
] | agm004130264 | [
[
-0.75331703,
2.46915561,
1.52255641
],
[
0,
0,
0
],
[
1.828093745,
2.446038925,
0
],
[
2.581410775,
-0.023116685,
1.52255641
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
2.63915805,
-5.21482751,
0
],
[
-5.21482751,
-0.44102176,
0
],
[
0,
0,
-2.26147196
]
] | -9.276456 | -9.276456 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-4 | 4 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.16560667,
-0.12208752,
0
],
[
-1.58017087,
4.9194977,
0
],
[
0,
0,
3.05123606
]
] | agm004130264 | [
[
-0.790085435,
2.45974885,
1.52561803
],
[
0,
0,
0
],
[
1.7927179,
2.39870509,
0
],
[
2.582803335,
-0.06104376,
1.52561803
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
5.32393941,
1.27003624,
0
],
[
1.27003624,
6.07409653,
0
],
[
0,
0,
0.46143725
]
] | -9.278051 | -9.278051 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-5 | 5 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.16462849,
-0.09544646,
0
],
[
-1.55434369,
4.92610528,
0
],
[
0,
0,
3.04908549
]
] | agm004130264 | [
[
-0.777171845,
2.46305264,
1.524542745
],
[
0,
0,
0
],
[
1.8051424,
2.41532941,
0
],
[
2.582314245,
-0.04772323,
1.524542745
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
4.17576474,
-0.74561285,
0
],
[
-0.74561285,
3.73536251,
0
],
[
0,
0,
-0.91294572
]
] | -9.278935 | -9.278935 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-6 | 6 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.18629878,
-0.10784513,
0
],
[
-1.57237244,
4.94337643,
0
],
[
0,
0,
3.0470263
]
] | agm004130264 | [
[
-0.78618622,
2.471688215,
1.52351315
],
[
0,
0,
0
],
[
1.8069631700000002,
2.4177656499999998,
0
],
[
2.59314939,
-0.053922565,
1.52351315
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-2.58302482,
0.88029785,
0
],
[
0.88029785,
-2.06306981,
0
],
[
0,
0,
-2.40931848
]
] | -9.27923 | -9.27923 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-7 | 7 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.1780335,
-0.10311614,
0
],
[
-1.56549607,
4.93678902,
0
],
[
0,
0,
3.0478117
]
] | agm004130264 | [
[
-0.782748035,
2.46839451,
1.52390585
],
[
0,
0,
0
],
[
1.8062687149999999,
2.41683644,
0
],
[
2.58901675,
-0.05155807,
1.52390585
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.05332328,
0.26746066,
0
],
[
0.26746066,
0.21130107,
0
],
[
0,
0,
-1.79583672
]
] | -9.279407 | -9.279407 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-8 | 8 | 0 |
[
"Ag",
"Cd",
"P"
] | 4 | A2BC | AgCdP | Cd2 Ag P | 3 | [
1,
1,
1
] | 3 | [
[
5.17835228,
-0.10329853,
0
],
[
-1.56576128,
4.93704309,
0
],
[
0,
0,
3.04778141
]
] | agm004130264 | [
[
-0.78288064,
2.468521545,
1.523890705
],
[
0,
0,
0
],
[
1.8062955,
2.41687228,
0
],
[
2.58917614,
-0.051649265,
1.523890705
]
] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ag",
"Cd",
"Cd",
"P"
] | 2024-04-26 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-0.14027761,
0.32179259,
0
],
[
0.32179259,
0.04979178,
0
],
[
0,
0,
-1.85793987
]
] | -9.279407 | -9.279407 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 65 | agm004130264-pbe-9 | 9 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.87344422,
0,
0
],
[
0,
5.45511441,
0
],
[
0,
0,
4.08521531
]
] | agm004130265 | [
[
1.43672211,
0,
2.042607655
],
[
0,
2.727557205,
2.042607655
],
[
0,
0,
0
],
[
1.43672211,
2.727557205,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
124.87390167,
0,
0
],
[
0,
45.87981395,
0
],
[
0,
0,
59.21296043
]
] | -21.877216 | -23.105216 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-0 | 0 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.04640859,
0,
0
],
[
0,
5.57575896,
0
],
[
0,
0,
4.20181944
]
] | agm004130265 | [
[
1.523204295,
0,
2.10090972
],
[
0,
2.78787948,
2.10090972
],
[
0,
0,
0
],
[
1.523204295,
2.78787948,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-2.30593783,
0,
0
],
[
0,
7.88148887,
0
],
[
0,
0,
-26.96668297
]
] | -22.051152 | -23.279152 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-1 | 1 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.04996864,
0,
0
],
[
0,
5.63763207,
0
],
[
0,
0,
4.14243858
]
] | agm004130265 | [
[
1.52498432,
0,
2.07121929
],
[
0,
2.818816035,
2.07121929
],
[
0,
0,
0
],
[
1.52498432,
2.818816035,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-44.49557252,
0,
0
],
[
0,
0.28022837,
0
],
[
0,
0,
-34.28207749
]
] | -21.725713 | -22.953713 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-10 | 10 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.9772039,
0,
0
],
[
0,
5.63847914,
0
],
[
0,
0,
4.06629523
]
] | agm004130265 | [
[
1.48860195,
0,
2.033147615
],
[
0,
2.81923957,
2.033147615
],
[
0,
0,
0
],
[
1.48860195,
2.81923957,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-2.18581757,
0,
0
],
[
0,
5.57402901,
0
],
[
0,
0,
13.28792888
]
] | -21.762834 | -22.990834 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-11 | 11 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.98294943,
0,
0
],
[
0,
5.63841225,
0
],
[
0,
0,
4.07230753
]
] | agm004130265 | [
[
1.491474715,
0,
2.036153765
],
[
0,
2.819206125,
2.036153765
],
[
0,
0,
0
],
[
1.491474715,
2.819206125,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-6.22056086,
0,
0
],
[
0,
5.05148932,
0
],
[
0,
0,
8.8106791
]
] | -21.76317 | -22.99117 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-12 | 12 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.97011287,
0,
0
],
[
0,
5.65290627,
0
],
[
0,
0,
4.08691678
]
] | agm004130265 | [
[
1.485056435,
0,
2.04345839
],
[
0,
2.826453135,
2.04345839
],
[
0,
0,
0
],
[
1.485056435,
2.826453135,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-1.69066717,
0,
0
],
[
0,
2.97929808,
0
],
[
0,
0,
3.46903932
]
] | -21.765294 | -22.993294 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-13 | 13 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.96257656,
0,
0
],
[
0,
5.66141567,
0
],
[
0,
0,
4.09549383
]
] | agm004130265 | [
[
1.48128828,
0,
2.047746915
],
[
0,
2.830707835,
2.047746915
],
[
0,
0,
0
],
[
1.48128828,
2.830707835,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
1.24249479,
0,
0
],
[
0,
1.80185348,
0
],
[
0,
0,
0.30302173
]
] | -21.765649 | -22.993649 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-14 | 14 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.96458387,
0,
0
],
[
0,
5.6673149,
0
],
[
0,
0,
4.09629866
]
] | agm004130265 | [
[
1.482291935,
0,
2.04814933
],
[
0,
2.83365745,
2.04814933
],
[
0,
0,
0
],
[
1.482291935,
2.83365745,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.40794751,
0,
0
],
[
0,
0.5556615,
0
],
[
0,
0,
-0.66578501
]
] | -21.765705 | -22.993705 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-15 | 15 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.96480089,
0,
0
],
[
0,
5.66795269,
0
],
[
0,
0,
4.09638567
]
] | agm004130265 | [
[
1.482400445,
0,
2.048192835
],
[
0,
2.833976345,
2.048192835
],
[
0,
0,
0
],
[
1.482400445,
2.833976345,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.56674153,
0,
0
],
[
0,
0.48955639,
0
],
[
0,
0,
-0.83430945
]
] | -21.765706 | -22.993706 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-16 | 16 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.96438476,
0,
0
],
[
0,
5.6712209,
0
],
[
0,
0,
4.09462116
]
] | agm004130265 | [
[
1.48219238,
0,
2.04731058
],
[
0,
2.83561045,
2.04731058
],
[
0,
0,
0
],
[
1.48219238,
2.83561045,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.13546701,
0,
0
],
[
0,
0.08273305,
0
],
[
0,
0,
0.13435109
]
] | -21.765722 | -22.993722 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-17 | 17 | 1 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.96438476,
0,
0
],
[
0,
5.6712209,
0
],
[
0,
0,
4.09462116
]
] | agm004130265 | [
[
1.48219238,
0,
2.04731058
],
[
0,
2.83561045,
2.04731058
],
[
0,
0,
0
],
[
1.48219238,
2.83561045,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.0781185,
0,
0
],
[
0,
0.09949907,
0
],
[
0,
0,
0.4722426
]
] | -21.759889 | -22.987889 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-18 | 18 | 2 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.03090538,
0,
0
],
[
0,
5.56494531,
0
],
[
0,
0,
4.19136793
]
] | agm004130265 | [
[
1.51545269,
0,
2.095683965
],
[
0,
2.782472655,
2.095683965
],
[
0,
0,
0
],
[
1.51545269,
2.782472655,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
7.52223083,
0,
0
],
[
0,
10.62938193,
0
],
[
0,
0,
-19.82124375
]
] | -22.052361 | -23.280361 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-2 | 2 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.03309819,
0,
0
],
[
0,
5.56647481,
0
],
[
0,
0,
4.19284622
]
] | agm004130265 | [
[
1.516549095,
0,
2.09642311
],
[
0,
2.783237405,
2.09642311
],
[
0,
0,
0
],
[
1.516549095,
2.783237405,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
6.19550573,
0,
0
],
[
0,
10.26648903,
0
],
[
0,
0,
-20.81239009
]
] | -22.05239 | -23.28039 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-3 | 3 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.04881985,
0,
0
],
[
0,
5.60041233,
0
],
[
0,
0,
4.15090287
]
] | agm004130265 | [
[
1.524409925,
0,
2.075451435
],
[
0,
2.800206165,
2.075451435
],
[
0,
0,
0
],
[
1.524409925,
2.800206165,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.85253469,
0,
0
],
[
0,
5.42006609,
0
],
[
0,
0,
-2.78805983
]
] | -22.060502 | -23.288502 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-4 | 4 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.05323305,
0,
0
],
[
0,
5.60993889,
0
],
[
0,
0,
4.13912899
]
] | agm004130265 | [
[
1.526616525,
0,
2.069564495
],
[
0,
2.804969445,
2.069564495
],
[
0,
0,
0
],
[
1.526616525,
2.804969445,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.6167619,
0,
0
],
[
0,
4.05962857,
0
],
[
0,
0,
2.08069873
]
] | -22.06091 | -23.28891 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-5 | 5 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.05296177,
0,
0
],
[
0,
5.62425035,
0
],
[
0,
0,
4.14188409
]
] | agm004130265 | [
[
1.526480885,
0,
2.070942045
],
[
0,
2.812125175,
2.070942045
],
[
0,
0,
0
],
[
1.526480885,
2.812125175,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-0.99928022,
0,
0
],
[
0,
1.80301395,
0
],
[
0,
0,
0.51484256
]
] | -22.061278 | -23.289278 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-6 | 6 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.0527126,
0,
0
],
[
0,
5.63739492,
0
],
[
0,
0,
4.14441455
]
] | agm004130265 | [
[
1.5263563,
0,
2.072207275
],
[
0,
2.81869746,
2.072207275
],
[
0,
0,
0
],
[
1.5263563,
2.81869746,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-1.43947445,
0,
0
],
[
0,
-0.21695624,
0
],
[
0,
0,
-0.96658579
]
] | -22.061357 | -23.289357 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-7 | 7 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.05275637,
0,
0
],
[
0,
5.63508607,
0
],
[
0,
0,
4.14397008
]
] | agm004130265 | [
[
1.526378185,
0,
2.07198504
],
[
0,
2.817543035,
2.07198504
],
[
0,
0,
0
],
[
1.526378185,
2.817543035,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
-1.40466538,
0,
0
],
[
0,
0.22747128,
0
],
[
0,
0,
-0.69930242
]
] | -22.061361 | -23.289361 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-8 | 8 | 0 |
[
"Cl",
"Cr",
"Tc"
] | 4 | A2BC | ClCrTc | Cr Tc Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.04996864,
0,
0
],
[
0,
5.63763207,
0
],
[
0,
0,
4.14243858
]
] | agm004130265 | [
[
1.52498432,
0,
2.07121929
],
[
0,
2.818816035,
2.07121929
],
[
0,
0,
0
],
[
1.52498432,
2.818816035,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Cr",
"Tc",
"Cl",
"Cl"
] | 2024-04-26 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
0.1444273,
0,
0
],
[
0,
-0.06588322,
0
],
[
0,
0,
0.31395475
]
] | -22.061394 | -23.289394 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | pbe | true | 47 | agm004130265-pbe-9 | 9 | 0 |
[
"Cl",
"Fe",
"In"
] | 4 | A2BC | ClFeIn | In Fe2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.96310746,
0,
0
],
[
0,
4.08526128,
-0.01545686
],
[
0,
0.02562213,
6.32455439
]
] | agm004130266 | [
[
1.48155373,
3.0831625574999997,
4.7318231475
],
[
0,
3.066636450233156,
0.3873930541556625
],
[
0,
3.0740665347668443,
2.751698850844338
],
[
1.48155373,
1.0277208525000001,
1.5772743825000002
]
] | [{"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": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Cl",
"Fe",
"Fe",
"In"
] | 2024-04-27 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
0.02917914,
0,
0
],
[
0,
0.43842719,
0.07848192
],
[
0,
0.07848189,
0.31190192
]
] | -20.765489 | -21.379489 | [
[
0,
0,
0
],
[
0,
-0.00359171,
0.00083789
],
[
0,
0.00359171,
-0.00083789
],
[
0,
0,
0
]
] | pbe | true | 10 | agm004130266-pbe-0 | 0 | 0 |
[
"Cl",
"Fe",
"In"
] | 4 | A2BC | ClFeIn | In Fe2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.96315729,
0,
0
],
[
0,
4.08629283,
-0.01527486
],
[
0,
0.02591467,
6.32569242
]
] | agm004130266 | [
[
1.481578645,
3.0841556249999997,
4.73281317
],
[
0,
3.067255498086702,
0.38764183275009484
],
[
0,
3.0751410819132974,
2.7522920872499057
],
[
1.481578645,
1.0280518749999998,
1.57760439
]
] | [{"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": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Cl",
"Fe",
"Fe",
"In"
] | 2024-04-27 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-0.41799785,
0,
0
],
[
0,
-0.08772537,
0.00783041
],
[
0,
0.00783068,
-0.29016179
]
] | -20.765491 | -21.379491 | [
[
0,
0,
0
],
[
0,
-0.00561344,
0.00333843
],
[
0,
0.00561344,
-0.00333843
],
[
0,
0,
0
]
] | pbe | true | 10 | agm004130266-pbe-1 | 1 | 0 |
[
"Cl",
"Fe",
"In"
] | 4 | A2BC | ClFeIn | In Fe2 Cl | 3 | [
1,
1,
1
] | 3 | [
[
2.96314086,
0,
0
],
[
0,
4.0859528,
-0.01533485
],
[
0,
0.02581824,
6.32531729
]
] | agm004130266 | [
[
1.48157043,
3.08382828,
4.73248683
],
[
0,
3.0670514254282897,
0.3875597880832091
],
[
0,
3.0747868945717105,
2.7520965819167906
],
[
1.48157043,
1.0279427600000002,
1.57749561
]
] | [{"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": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Cl",
"Fe",
"Fe",
"In"
] | 2024-04-27 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
-0.20988206,
0,
0
],
[
0,
0.119654,
0.02861859
],
[
0,
0.02861861,
-0.06111183
]
] | -20.765491 | -21.379491 | [
[
0,
0,
0
],
[
0,
-0.00089931,
0.00109327
],
[
0,
0.00089931,
-0.00109327
],
[
0,
0,
0
]
] | pbe | true | 10 | agm004130266-pbe-2 | 2 | 0 |
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