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[
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1,
1,
1
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"Co",
"Co",
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"Co",
"B",
"B",
"B",
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"B",
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] | 2023-11-16 06:57:59 | [
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] | -136.592832 | [
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] | 6.814342 | 13.202213 | pbe | true | 34cd5687a9b06794f52da6a789d155a2_166_Tb1Co12B6 |
[
"B",
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1,
1,
1
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"B",
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[
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1,
1,
1
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[
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1
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] | 0 | 4.99083 | pbe | true | f34da7240ba48b616190526b05c53452_227_Cs2B4Ir2 |
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] | -0.000062 | 4.348933 | pbe | true | c218bb3a78b7984242b794a589038f9d_62_Cs4B4Pb4 |
[
"B",
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1,
1,
1
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"B",
"B",
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"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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] | -0 | 2.088564 | pbe | true | 5fdd0209ffa0d3f323b1cb4565c9406a_12_Cs2B2S8 |
[
"B",
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1,
1,
1
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"B",
"Tc",
"Tc",
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"Tc",
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] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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] | 0.000069 | 6.784198 | pbe | true | 06272c6517585b331d0746a1f2c8c1b4_15_Dy2Tc4B8 |
[
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1,
1,
1
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"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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] | -0.000007 | 9.620002 | pbe | true | 28493896ef21793b4c2bd78d44f6c694_55_Dy4Th4B16 |
[
"B",
"Er",
"Pt"
] | 9 | A6B2C | BEr2Pt6 | B1 Er2 Pt6 | 3 | [
1,
1,
1
] | 3 | [
[
4.30117646,
0,
0
],
[
0,
4.30117646,
0
],
[
0,
0,
8.09543782
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] | mp-1225050 | [
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0,
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[
0,
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Er",
"Er",
"B",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2019-01-13 01:12:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
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[
0,
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[
0,
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] | -60.82397 | [
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-0.001,
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0.001,
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] | [
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[
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[
0,
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 6.728012 | pbe | true | ea2599d840833a5e0ad953dbaf4937f2_123_Er2B1Pt6 |
[
"B",
"F",
"Fe"
] | 5 | A3BC | BFFe3 | Fe3 B1 F1 | 3 | [
1,
1,
1
] | 3 | [
[
4.07652861,
0,
0
],
[
0,
4.07652861,
0
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[
0,
0,
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] | agm002407452 | [
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[
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"Fe",
"Fe",
"Fe",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
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[
0,
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[
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] | -20.532195 | [
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3.504,
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[
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[
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] | 9.897721 | 4.120509 | pbe | true | f8f5c38767bebe3ccf78eaf085e8a6c9_221_Fe3B1F1 |
[
"B",
"F",
"Ru"
] | 4 | A2BC | BF2Ru | B1 Ru1 F2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
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[
2.83188253,
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[
2.83188253,
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] | agm002638690 | [
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[
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[
4.247823795,
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Ru",
"B",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
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[
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] | -17.921968 | [
2.741,
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0.128,
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[
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[
0,
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[
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]
] | 3.000002 | 0.633275 | pbe | true | 7660f2eda09e7e0d5de631fd22b14d6e_225_B1Ru1F2 |
[
"B",
"Fe",
"Pd"
] | 8 | A2BC | B2FePd | Fe2 B4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.57777138,
0,
0
],
[
0,
4.57777138,
0
],
[
2.28888569,
2.28888569,
4.59662281
]
] | agm002796793 | [
[
3.2679833696377862,
1.144442845,
1.1491557025
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[
1.309788010362213,
3.4333285350000002,
1.1491557025
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[
3.433328535,
3.598673700362213,
3.4474671075000005
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[
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5.556869059637786,
3.4474671075000005
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[
2.28888569,
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[
0,
0,
0
],
[
4.57777138,
2.28888569,
2.298311405
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"B",
"B",
"B",
"B",
"Fe",
"Fe",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.1360073,
0,
0
],
[
0,
5.1360073,
0
],
[
0,
0,
6.70337
]
] | -49.888042 | [
0,
0,
0,
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0,
0,
0,
0
] | [
[
0.0041996,
0,
0
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[
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[
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[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.21735 | pbe | true | 1f5058053d3cd8cd689946009ae1a290_122_Fe2B4Pd2 |
[
"B",
"Fe",
"Sc"
] | 12 | A2BC | BFe2Sc | Sc3 Fe6 B3 | 3 | [
1,
1,
1
] | 3 | [
[
4.97893027,
0,
0
],
[
-2.48946513,
4.31183708,
0
],
[
0,
0,
7.00879559
]
] | agm002200774 | [
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2.489465135,
0,
4.672530416695985
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[
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2.3363056841425247
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[
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[
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[
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[
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[
2.6205661224961324e-8,
1.1305722629317891,
4.672530416695985
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[
3.9999776064785273,
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0.0000983334021277
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[
0.9789526150430248,
0.5652190177217444,
2.336166839901887
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Sc",
"B",
"B",
"B",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
10.0343275,
0,
0
],
[
0,
10.104799,
0
],
[
0,
0,
14.3089485
]
] | -92.620679 | [
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-0.093,
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-0.081,
1.778,
1.701,
1.654,
1.722,
1.67,
1.746
] | [
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0
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[
0,
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[
0,
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[
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[
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[
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[
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[
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[
-0.03925718,
0.0201326,
0.00122542
],
[
0.03925718,
0.0201326,
-0.00122542
]
] | 9.45764 | 13.083558 | pbe | true | 09df582d0a35463b5639197c695330f5_180_Sc3Fe6B3 |
[
"B",
"Fe",
"Tb"
] | 6 | ABC | BFeTb | Tb2 Fe2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.54196802,
0,
0
],
[
0,
3.54196802,
0
],
[
0,
0,
7.70310057
]
] | agm005649910 | [
[
1.77098401,
0,
1.5210918296829816
],
[
0,
1.77098401,
6.182008740317019
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[
1.77098401,
1.77098401,
3.851550285
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[
0,
0,
3.851550285
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[
1.77098401,
0,
4.86864241809293
],
[
0,
1.77098401,
2.8344581519070697
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Tb",
"Tb",
"Fe",
"Fe",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
],
[
0,
4.4273834,
0
],
[
0,
0,
3.9642842
]
] | -41.691978 | [
0.009,
0.009,
0.976,
0.976,
-0.053,
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] | [
[
0,
0,
0.0008279
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[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0.00451221
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[
0,
0,
-0.00451221
]
] | 1.906373 | 5.402135 | pbe | true | cb91ca5d15a69a0b83932d98da4f5293_129_Tb2Fe2B2 |
[
"B",
"Ge",
"N"
] | 4 | A2BC | BGeN2 | Ge1 B1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
1.83108917,
0,
4.93437455
],
[
-0.91554459,
1.58576974,
4.93437455
],
[
-0.91554459,
-1.58576974,
4.93437455
]
] | agm002755871 | [
[
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0,
7.401561825
],
[
0,
0,
0
],
[
-9.083400873274453e-9,
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13.446270520490891
],
[
-9.165991908509283e-10,
1.3056027077044519e-17,
1.3568531295091082
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Ge",
"B",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.00410961,
0,
0
],
[
0,
0.00410961,
0
],
[
0,
0,
1.3656546
]
] | -27.738056 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0.00501891
],
[
0,
0,
-0.00501891
]
] | 0 | 1.108822 | pbe | true | cff7fc2f3d429778093a6cb7518c939c_166_Ge1B1N2 |
[
"B",
"Hf",
"Na"
] | 6 | ABC | BHfNa | Na2 Hf2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.39760361,
0,
0
],
[
0,
10.9177642,
0
],
[
0,
0,
3.39751503
]
] | agm003038741 | [
[
0,
3.9338661967721062,
0
],
[
1.698801805,
6.983898003227894,
1.698757515
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[
0,
1.311070959254126,
0
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[
1.698801805,
9.606693240745875,
1.698757515
],
[
0,
9.816358748686168,
0
],
[
1.698801805,
1.101405451313832,
1.698757515
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Na",
"Na",
"B",
"B",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.6153718,
0,
0
],
[
0,
0.08958738,
0
],
[
0,
0,
1.6135526
]
] | -36.07127 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.01254398,
0
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[
0,
0.01254398,
0
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[
0,
0.01134174,
0
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[
0,
-0.01134174,
0
],
[
0,
0.04168784,
0
],
[
0,
-0.04168784,
0
]
] | 0.000013 | 3.759149 | pbe | true | 1ac155be13f85d196f60da9c665b7daa_129_Na2Hf2B2 |
[
"B",
"In",
"Nb"
] | 4 | A2BC | B2InNb | Nb1 In1 B2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.97018405,
2.97018405
],
[
2.97018405,
0,
2.97018405
],
[
2.97018405,
2.97018405,
0
]
] | agm002640433 | [
[
0,
0,
0
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[
1.485092025,
1.485092025,
1.485092025
],
[
4.455276075,
4.455276075,
4.455276075
],
[
2.97018405,
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2.97018405
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Nb",
"B",
"B",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.2784052,
0,
0
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[
0,
-1.2784052,
0
],
[
0,
0,
-1.2784052
]
] | -22.06499 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.03576 | pbe | true | 9b7dc3d3baf8af3f3b092398279e8111_225_Nb1In1B2 |
[
"B",
"Ir",
"Sm"
] | 11 | A5B4C2 | B4Ir5Sm2 | Sm2 B4 Ir5 | 3 | [
1,
1,
1
] | 3 | [
[
5.53843478,
0.00003004,
-0.00038551
],
[
2.76922963,
4.96874636,
-0.00045546
],
[
2.76882289,
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5.70319739
]
] | agm002199986 | [
[
8.3073037918202,
3.403988130038804,
4.194623893147422
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[
2.7692061326859996,
1.5645137397712225,
1.5077325252751428
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5.538409159871992,
3.4045332438866045,
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5.538100626177038,
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4.194777562853793
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2.851276612142209
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[
4.153448920338931,
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[
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[
4.15384336493758,
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[
6.92276004616383,
2.4838692685621946,
2.851079863313029
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[
8.30732786299123,
4.968269634298615,
1.6138258331618973
],
[
2.7691805661414013,
0.00023218581888319998,
4.08853052833348
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"B",
"B",
"B",
"B",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
] | [
[
0.03450894,
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[
-0.02247016,
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],
[
-0.06713487,
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0.7957977
]
] | -88.326068 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0.00958291
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[
0.00169595,
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[
0.00134765,
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[
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[
0.00143913,
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[
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0.00000197
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[
0.00000172,
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1e-8
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[
4.7e-7,
0.00000125,
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[
-0.00144113,
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[
-0.00628182,
-0.0009936,
-0.01098581
],
[
0.00628607,
0.00099372,
0.01098599
]
] | 0 | 4.048553 | pbe | true | 0cdaa1148ac0cfee4bdd6223d07390cd_69_Sm2B4Ir5 |
[
"B",
"K",
"Re"
] | 4 | A2BC | BK2Re | K2 Re1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.86025722,
3.86025722
],
[
3.86025722,
0,
3.86025722
],
[
3.86025722,
3.86025722,
0
]
] | agm002642703 | [
[
3.86025722,
3.86025722,
3.86025722
],
[
1.93012861,
1.93012861,
1.93012861
],
[
5.79038583,
5.79038583,
5.79038583
],
[
0,
0,
0
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Re",
"K",
"K",
"B"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.7407916,
0,
0
],
[
0,
0.7407916,
0
],
[
0,
0,
0.7407916
]
] | -11.725331 | [
3.217,
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-0.416
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.539555 | 2.78111 | pbe | true | 84daae7a562571bea5daa67ee620753d_225_K2Re1B1 |
[
"B",
"K",
"Sn"
] | 6 | ABC | BKSn | K2 Sn2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
7.71191475,
0,
-0.02912491
],
[
3.15838447,
7.0215499,
-1.48989597
],
[
-3.15838447,
7.0215499,
1.48989597
]
] | agm003038219 | [
[
2.0606327339811648,
9.182899165870845,
-0.06339916514824813
],
[
2.0606327339811648,
4.860200634129154,
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[
4.1409157831922805,
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[
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[
6.166827670775534,
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],
[
6.166827670775534,
5.502297428998996,
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]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"K",
"K",
"B",
"B",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.0357916,
0,
0.99988306
],
[
0,
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0
],
[
0.99988353,
0,
1.3684323
]
] | -22.765445 | [
0,
0,
0,
0,
0,
0
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] | 0.00011 | 10.356978 | pbe | true | be51ec787a921308074b90d91f8f2644_55_Zr4Mn4B16 |
[
"B",
"Mo",
"P"
] | 10 | A2B2C | B2MoP2 | B4 Mo2 P4 | 3 | [
1,
1,
1
] | 3 | [
[
6.20217528,
0,
0
],
[
0,
6.20217528,
0
],
[
0,
0,
3.07150702
]
] | agm002959061 | [
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"P",
"P",
"Mo",
"Mo",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
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0.4
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[
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[
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[
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[
0.00493675,
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],
[
0.00493675,
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]
] | 0 | 5.072783 | pbe | true | 266eca8227fede97c5edbc0e589d1a6b_127_B4Mo2P4 |
[
"B",
"Mo",
"Ti"
] | 8 | A2BC | B2MoTi | Ti2 B4 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
3.09383826,
0,
0
],
[
0,
4.52986446,
0
],
[
0,
0,
5.93388829
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] | agm005770765 | [
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
"Ti",
"B",
"B",
"B",
"B",
"Mo",
"Mo"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
0,
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[
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] | -70.666487 | [
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[
0,
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[
0,
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]
] | 0.000002 | 1.338859 | pbe | true | fb95fdd7eb407a37958fd5459763f4bb_26_Ti2B4Mo2 |
[
"B",
"Mo",
"V"
] | 8 | A2BC | BMo2V | V2 B2 Mo4 | 3 | [
1,
1,
1
] | 3 | [
[
7.17275279,
0,
0
],
[
0,
7.17275279,
0
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[
3.58637639,
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]
] | agm002797395 | [
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[
0,
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Mo",
"Mo",
"Mo",
"Mo",
"B",
"B",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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[
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[
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[
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] | -73.244827 | [
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[
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[
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0,
0
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[
0,
0,
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[
0,
0,
0
]
] | 0.000037 | 7.082871 | pbe | true | 740783a16f30f1a6c32033a7ffc220b8_122_V2B2Mo4 |
[
"B",
"Na",
"Tl"
] | 4 | A2BC | BNa2Tl | Na2 Tl1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.5070867,
3.5070867
],
[
3.5070867,
0,
3.5070867
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[
3.5070867,
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0
]
] | agm002641448 | [
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[
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[
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Na",
"Na",
"Tl",
"B"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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0,
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[
0,
2.2810638,
0
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[
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0,
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] | -8.355581 | [
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[
0,
0,
0
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[
0,
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[
0,
0,
0
]
] | 0 | 2.480255 | pbe | true | 010f7b40bb73d62eb542265395f5b244_225_Na2Tl1B1 |
[
"B",
"Na",
"Zr"
] | 3 | ABC | BNaZr | Na1 Zr1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
3.3825123,
-1.95289439,
0
],
[
0,
3.90578877,
0
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[
0,
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] | agm003039057 | [
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Na",
"B",
"Zr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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[
0,
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[
0,
0,
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] | -14.564096 | [
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0,
0,
0
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[
0,
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[
0,
0,
0
]
] | 0.237193 | 2.863383 | pbe | true | 8ddc7e2c346da298462e3aeb6aa6f04a_187_Na1Zr1B1 |
[
"B",
"Nb",
"Ru"
] | 9 | A6B2C | BNb2Ru6 | Nb2 B1 Ru6 | 3 | [
1,
1,
1
] | 3 | [
[
5.63788007,
0,
0
],
[
2.81894004,
4.88253681,
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[
2.81894004,
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] | agm002200647 | [
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[
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Nb",
"Nb",
"B"
] | 2023-11-16 06:57:59 | [
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0.6666666666666666
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[
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[
0,
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] | -85.085573 | [
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[
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[
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[
0,
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[
0,
0,
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]
] | -0.00001 | 7.493153 | pbe | true | ad633b256928c0fa61f9f8ff85688e52_225_Nb2B1Ru6 |
[
"B",
"Nd",
"Os"
] | 9 | A6B2C | BNd2Os6 | Nd2 B1 Os6 | 3 | [
1,
1,
1
] | 3 | [
[
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[
2.97057895,
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[
2.97057823,
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] | agm002361987 | [
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[
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] | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Nd",
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"B",
"Os",
"Os",
"Os",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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[
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] | -80.740925 | [
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[
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[
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] | 0.000184 | 15.751136 | pbe | true | a8a7ede211fdebf79511c93cd5cf6fec_225_Nd2B1Os6 |
[
"B",
"Nb",
"V"
] | 12 | ABC | BNbV | Nb4 V4 B4 | 3 | [
1,
1,
1
] | 3 | [
[
5.60686911,
0,
0.00423494
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[
0,
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0
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[
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] | agm002026902 | [
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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"Nb",
"B",
"B",
"B",
"B",
"V",
"V",
"V",
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] | 2023-11-16 06:57:59 | [
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[
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] | -106.385641 | [
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[
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]
] | -0.000017 | 6.369113 | pbe | true | 19473ec5ebf976ea5213ccdab982d0ae_12_Nb4V4B4 |
[
"B",
"Ni",
"P"
] | 4 | A2BC | BNiP2 | Ni1 B1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.51687309,
0.00430635,
-0.03667002
],
[
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3.7401425,
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[
-1.7330604,
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4.22528303
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] | agm002122230 | [
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1.0364012379504384,
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[
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1.0475765924128586,
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ni",
"B",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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] | -23.028945 | [
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[
0.00099562,
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[
0.00104844,
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] | 0 | 0.667234 | pbe | true | ee8f4eb77a43f87fd4d3549dbcac13cf_1_Ni1B1P2 |
[
"B",
"Os",
"V"
] | 6 | A4BC | B4OsV | V1 B4 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
1.43784141,
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0
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[
1.43784141,
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[
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"V",
"B",
"B",
"B",
"B",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000119 | 3.11915 | pbe | true | 40afff9b1863882291d0a17c9a59842b_187_V1B4Os1 |
[
"B",
"P",
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] | 18 | A6B2C | B2PPt6 | B4 P2 Pt12 | 3 | [
1,
1,
1
] | 3 | [
[
5.33887476,
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1.32035076
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[
0.88126577,
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
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[
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0.00815791
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] | 0 | 7.430349 | pbe | true | db92f38297dd892a6ff2e4bba9f8f6b5_15_B4P2Pt12 |
[
"B",
"Pd",
"Y"
] | 10 | A2B2C | B2PdY2 | Y4 B4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
6.60288389,
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[
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] | agm002959430 | [
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"Y",
"Y",
"Y",
"Y",
"B",
"B",
"B",
"B",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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[
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[
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] | -67.191852 | [
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[
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[
0,
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[
0,
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] | 0 | 6.793593 | pbe | true | 1b81d2b11499e38bdc0845c03515f504_127_Y4B4Pd2 |
[
"B",
"Pm",
"Re"
] | 10 | A3BC | B3PmRe | Pm2 Re2 B6 | 3 | [
1,
1,
1
] | 3 | [
[
4.70468737,
0,
0.12961401
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[
2.35234369,
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[
1.61781226,
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] | agm003731052 | [
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Re",
"Re",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
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[
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[
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] | -75.040388 | [
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[
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[
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] | -0.000005 | 3.013606 | pbe | true | f4a421ac29b2c60d5f3ce8931840ca16_15_Pm2Re2B6 |
[
"B",
"Pu",
"Tc"
] | 6 | ABC | BPuTc | Pu2 Tc2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.50763304,
0,
0
],
[
-1.75381652,
2.95260942,
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],
[
0,
0.08393686,
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]
] | agm001026546 | [
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[
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Tc",
"Tc",
"Pu",
"Pu",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -63.14134 | [
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[
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] | 0.000057 | 6.173432 | pbe | true | 3fef2c8a1c29e67f6aa74d3686691e17_166_Pu2Tc2B2 |
[
"B",
"Rh",
"Sr"
] | 3 | ABC | BRhSr | Sr1 B1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.79788711,
0,
0
],
[
0,
3.66311763,
0
],
[
0,
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] | agm001264695 | [
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"B",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -16.583431 | [
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[
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],
[
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0,
0
]
] | 0.000002 | 1.434198 | pbe | true | 9256ecd34b517d243a512de6acac8059_187_Sr1B1Rh1 |
[
"B",
"Re",
"Rh"
] | 8 | A2BC | BRe2Rh | Re4 B2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.79620219,
0,
0
],
[
0,
3.79620219,
0
],
[
1.8981011,
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8.18374576
]
] | agm002797254 | [
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[
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[
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Re",
"Re",
"Re",
"Re",
"B",
"B",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
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] | 0 | 3.086762 | pbe | true | 7fe5b8e623ee1c447d50c2719c6b5960_122_Re4B2Rh2 |
[
"B",
"Re",
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1,
1,
1
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[
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"Re",
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] | 0 | 3.364565 | pbe | true | 2fec44351a5229e72c8ee8e22eb1f838_166_Re1Tc2B1 |
[
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1,
1,
1
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[
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"B",
"B",
"B",
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] | -0.137153 | 33.605934 | pbe | true | ef764cde50c59accea33d1ad903843be_55_Yb4Re4B16 |
[
"B",
"Rh",
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1,
1,
1
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0
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[
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] | -0.000018 | 5.186561 | pbe | true | f499cf025d30d50bd331ad2697b4b905_191_Y1B1Rh2 |
[
"B",
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1,
1,
1
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3.36019522,
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[
3.36019522,
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[
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[
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1,
1,
1
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4.40845604,
0,
0
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[
0,
4.40845604,
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[
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] | 0 | 3.308193 | pbe | true | 2508bc3bdccd8a563128730a42c32964_221_Sc1Sn1B3 |
[
"B",
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1,
1,
1
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] | null | null | pbe | true | 15c6b235213fbd175f0e52bdfaa1cf46_216_Sr2Zn1B1 |
[
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1,
1,
1
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] | 0.000851 | 5.333411 | pbe | true | c9b8acf9247c0b20691aeedb0fd718cd_55_Sm4B20W2 |
[
"B",
"Ta",
"W"
] | 6 | A4BC | B4TaW | Ta1 B4 W1 | 3 | [
1,
1,
1
] | 3 | [
[
3.3416821,
-0.00138157,
0.00020514
],
[
0.00128354,
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[
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"Ta",
"B",
"B",
"B",
"B",
"W"
] | 2023-11-16 06:57:59 | [
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] | 0.000003 | 2.694878 | pbe | true | f51987d7b92dea664a59ec89490bfe10_47_Ta1B4W1 |
[
"Ba",
"Bi",
"I"
] | 16 | A2BC | Ba2BiI | Ba8 Bi4 I4 | 3 | [
1,
1,
1
] | 3 | [
[
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"Ba",
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"Bi",
"Bi",
"Bi",
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] | 2023-11-16 06:57:59 | [
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] | -0.000001 | -0.057857 | pbe | true | 43f7e49127a113227636d8934ebc4181_57_Ba8Bi4I4 |
[
"Ba",
"Br",
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] | 11 | A6B4C | BaBr6Tl4 | Ba1 Tl4 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
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"Ba",
"Tl",
"Tl",
"Tl",
"Tl",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
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] | 0 | 0 | pbe | true | 25f3098e2c7390089b126f59d4bcedce_8_Ba1Tl4Br6 |
[
"Ba",
"Ca",
"Cl"
] | 4 | A2BC | BaCa2Cl | Ba1 Ca2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.78407138,
0,
0
],
[
0,
3.78407138,
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[
0,
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"Ca",
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[
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] | -0.000014 | 3.628184 | pbe | true | 0377980f1d773dfdc5189659adf76883_123_Ba1Ca2Cl1 |
[
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"Ca",
"F"
] | 80 | A12B5C3 | Ba12Ca3F5 | Ba48 Ca12 F20 | 3 | [
1,
1,
1
] | 3 | [
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[
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1
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[
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1
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[
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1,
1,
1
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0,
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] | 2.056506 | 4.772231 | pbe | true | f71cd82ee73a7622d5e6ea737a90975b_225_Ba1Ti1Cd2 |
[
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1,
1,
1
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0,
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] | 2.79558 | 3.003187 | pbe | true | 9d19898ce10526b88a517e0ef144665b_225_Ba1Co1Te2 |
[
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1,
1,
1
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6.37153716,
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],
[
4.799510715,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Ba",
"Cu",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-1.3465956,
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-6.3e-7
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[
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[
-6.3e-7,
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] | -16.842719 | [
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
]
] | 0.980472 | 5.690594 | pbe | true | 2d01e69928d2f92ff7ef1bb947d9ac0e_139_Ba1Sc2Cu1 |
[
"Ba",
"Cu",
"Se"
] | 10 | A2B2C | Ba2CuSe2 | Ba4 Cu2 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
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[
0,
0,
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"Cu",
"Cu",
"Ba",
"Ba",
"Ba",
"Ba",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
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] | 0 | 3.641881 | pbe | true | 2d124be8901b9b369fde8b69d06469c9_127_Ba4Cu2Se4 |
[
"Ba",
"Dy",
"In"
] | 6 | A4BC | BaDyIn4 | Ba1 Dy1 In4 | 3 | [
1,
1,
1
] | 3 | [
[
6.22818512,
0,
0
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[
3.11409256,
5.39376653,
0
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3.11409256,
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"In",
"In",
"In",
"In",
"Ba",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000014 | 3.827093 | pbe | true | b5724c1fd26317ac1b7043b5aa29b0cd_216_Ba1Dy1In4 |
[
"Ba",
"Er",
"Tl"
] | 4 | A2BC | BaEr2Tl | Ba1 Er2 Tl1 | 3 | [
1,
1,
1
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[
3.67151581,
0,
0
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[
1.8357579,
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0
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1.8357579,
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"Tl",
"Ba",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
0,
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[
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[
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[
0,
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[
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] | 0.256549 | 5.543352 | pbe | true | 8ab628af5c0082f2a80d29b1c5872640_166_Ba1Er2Tl1 |
[
"Ba",
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] | 32 | A3B3C2 | Ba3Ga3Mg2 | Ba12 Mg8 Ga12 | 3 | [
1,
1,
1
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0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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"Ga",
"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000001 | 33.8326 | pbe | true | dd79bc6aed9360cce49ec29aa02a55e9_62_Ba12Mg8Ga12 |
[
"Ba",
"Hf",
"O"
] | 16 | A2BC | Ba2HfO | Ba8 Hf4 O4 | 3 | [
1,
1,
1
] | 3 | [
[
9.87933615,
0,
-0.00296128
],
[
0,
5.76610485,
0
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[
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] | agm002115703 | [
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}] | [
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"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
-0.00408341,
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]
] | 0.000297 | 17.412075 | pbe | true | 4c83a1a547841820775a32c2125c308f_5_Ba8Hf4O4 |
[
"Ba",
"Hg",
"Mg"
] | 24 | A4BC | BaHg4Mg | Ba4 Mg4 Hg16 | 3 | [
1,
1,
1
] | 3 | [
[
9.21120283,
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],
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] | agm005832443 | [
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[
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[
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1
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] | 0.000942 | 7.033932 | pbe | true | 1a7bef0ba6517fe25169f08bfea204c8_216_Ba1Re1Ir1 |
[
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1
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-0.00195144,
0.7151348,
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],
[
0.00040825,
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]
] | -13.355549 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00255605,
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1.8e-7
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[
0.00335504,
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2.3e-7
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[
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[
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[
-0.00151775,
0.0000013,
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[
-0.0015139,
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-0.02812276
]
] | 0.00001 | 5.638415 | pbe | true | 3edaa9e668901984de3a49e9a458fa32_47_Ba1La1Zn4 |
[
"Ba",
"Mo",
"Ta"
] | 5 | A3BC | Ba3MoTa | Ba3 Ta1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.88131514,
0,
0
],
[
0,
5.88131514,
0
],
[
0,
0,
5.88131514
]
] | agm002531012 | [
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[
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[
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0
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
"Ba",
"Ba",
"Ba",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.5751973,
0,
0
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[
0,
1.5751973,
0
],
[
0,
0,
1.5751973
]
] | -20.246719 | [
0.128,
0.068,
0.076,
0.072,
2.299
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 4.909742 | 7.90711 | pbe | true | 29f0a3b6823435d3152170533d36626e_221_Ba3Ta1Mo1 |
[
"Ba",
"Mo",
"Tl"
] | 4 | A2BC | Ba2MoTl | Ba2 Tl1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.83117629,
0.35062498,
0
],
[
-0.34781675,
5.83134447,
0
],
[
0,
0,
4.31033891
]
] | agm004365969 | [
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0,
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0
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[
2.915588145,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Ba",
"Ba",
"Mo",
"Tl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
1.7465615,
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[
0,
0,
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] | -14.515836 | [
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3.197,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.881071 | 3.201717 | pbe | true | ad945bb39b3b5cab94b7793241502096_123_Ba2Tl1Mo1 |
[
"Ba",
"N",
"P"
] | 6 | A4BC | Ba4NP | Ba4 P1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.34307764,
0,
0
],
[
0,
7.81429761,
0.25942796
],
[
0,
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]
] | agm003737444 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ba",
"Ba",
"Ba",
"Ba",
"P",
"N"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
0,
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] | -24.814288 | [
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0.001,
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[
0,
0,
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[
0,
0,
0
]
] | 0.163246 | 3.402338 | pbe | true | e10eb0a3e230b7441fe7f85fde84a4df_10_Ba4P1N1 |
[
"Ba",
"N",
"W"
] | 10 | A3BC | BaN3W | Ba2 W2 N6 | 3 | [
1,
1,
1
] | 3 | [
[
5.95404687,
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0.00340812
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[
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[
2.67587204,
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4.95601334
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2.2245793220091077,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Ba",
"Ba",
"W",
"W",
"N",
"N",
"N",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
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0.2
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[
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0
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0.00218916
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] | 0 | 0 | pbe | true | eab53a4e022058cb9188aa2add50f2a7_1_Ba2W2N6 |
[
"Ba",
"Nb",
"Se"
] | 20 | A6B3C | Ba3NbSe6 | Ba6 Nb2 Se12 | 3 | [
1,
1,
1
] | 3 | [
[
7.58172644,
0,
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[
0,
8.09290441,
0
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[
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10.86198398
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[
5.7504430750329965,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
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"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3,
0.1,
0.6
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[
0,
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0
],
[
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0,
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[
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[
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] | 0.000106 | 24.718891 | pbe | true | d1cc07af8e409c97cba59fdacfcc52d4_14_Ba6Nb2Se12 |
[
"Ba",
"Nb",
"Sr"
] | 8 | A2BC | Ba2NbSr | Ba4 Sr2 Nb2 | 3 | [
1,
1,
1
] | 3 | [
[
9.92263331,
0,
0
],
[
0,
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0
],
[
4.96131666,
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] | agm002895190 | [
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12.40329164125,
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2.748210645
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Nb",
"Nb",
"Ba",
"Ba",
"Ba",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
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[
0,
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[
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] | -24.019804 | [
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2.497,
2.496,
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[
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[
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[
0,
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0
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[
0,
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0
]
] | 6.127521 | 3.943152 | pbe | true | cc1fa004b1457f5e7e25ea2224757496_122_Ba4Sr2Nb2 |
[
"Ba",
"Np",
"O"
] | 13 | A8B3C2 | Ba3Np2O8 | Ba3 Np2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
8.59236319,
0.57186082,
3.59766825
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[
3.38224803,
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3.63990549
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[
2.2858065,
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] | agm005598430 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
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"Ba",
"Ba",
"Np",
"Np",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.23076923076923078,
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[
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] | -107.955687 | [
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] | 4.000001 | 6.33161 | pbe | true | 876b094c3d4826f47b82b6f655031578_12_Ba3Np2O8 |
[
"Ba",
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1,
1,
1
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[
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] | 0 | 0 | pbe | true | 45a09b768700a07f4ec5d8c234c5e300_62_Ba4S4O16 |
[
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1,
1
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] | 0.000021 | 0 | pbe | true | 6037cf3d5bcad4c4e353a6ddb47ec3ae_186_Ba2Sb8O14 |
[
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1,
1,
1
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0
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[
0,
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"Rh",
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] | 0 | 9.418493 | pbe | true | 92ebe64504d4d4c25dd3a861be624b1d_191_Ba1Pd2Rh3 |
[
"Ba",
"Rh",
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] | 4 | A2BC | Ba2RhSc | Ba2 Sc1 Rh1 | 3 | [
1,
1,
1
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[
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"Ba",
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] | 0.433031 | 5.594786 | pbe | true | 2e22fb7ed53f35ba4b86f87843079751_47_Ba2Sc1Rh1 |
[
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1,
1,
1
] | 3 | [
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
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"Sb",
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"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
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[
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] | -0.000031 | 12.278296 | pbe | true | 4964418a98e0c8b75a53bfc8a4b16ac5_136_Ba2Sb4Rh8 |
[
"Ba",
"Rh",
"Y"
] | 4 | A2BC | BaRhY2 | Ba1 Y2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.15434793,
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0,
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] | agm004230568 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Ba",
"Rh",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6975303,
0,
0
],
[
0,
1.6395966,
-0.03593387
],
[
0,
-0.03593388,
1.8177767
]
] | -23.266603 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0.00118102,
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[
0,
0.0000021,
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[
0,
0.00206883,
-0.00563206
]
] | 0.001503 | 3.972953 | pbe | true | 5a542ccf5754047e601cd5dfe6bd87ae_38_Ba1Y2Rh1 |
[
"Ba",
"Se",
"Sn"
] | 18 | A5B3C | Ba3Se5Sn | Ba6 Sn2 Se10 | 3 | [
1,
1,
1
] | 3 | [
[
8.84305721,
0,
0
],
[
0,
8.84305721,
0
],
[
-4.42152861,
-4.42152861,
7.63131392
]
] | agm003566216 | [
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[
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[
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[
4.421528605,
4.421528605,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Sn",
"Sn",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5555555555555556,
0.1111111111111111
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0
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[
0,
0.3516942,
0
],
[
0,
0,
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]
] | -80.592014 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
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0
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[
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0.00166716,
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0.00016927
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | -0.00981 | pbe | true | e0e8a05652e90449e00e7c3e445acfa2_140_Ba6Sn2Se10 |
[
"Ba",
"Se",
"Te"
] | 4 | A2BC | Ba2SeTe | Ba2 Te1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.74887317,
0,
0
],
[
2.37443658,
4.1126448,
0
],
[
2.37443659,
1.3708816,
8.36967253
]
] | agm005110939 | [
[
2.3744365882705547,
1.3708816,
6.19843878152277
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[
2.374436585055293,
1.3708816,
2.161835275799842
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4.1126434291184,
8.354996141825195
],
[
4.74887317001917,
2.7417632,
4.208902756179663
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ba",
"Ba",
"Te",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.4213035,
0,
0
],
[
0,
0.4213035,
0
],
[
0,
0,
0.5249475
]
] | -17.783818 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00183115
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[
0,
0,
0.00293259
],
[
0,
0,
-0.00278487
],
[
0,
0,
-0.00197888
]
] | 0.000001 | 0 | pbe | true | 0da754efe88b0141b2029e2594118a74_160_Ba2Te1Se1 |
[
"Ba",
"Tb",
"Zn"
] | 6 | A4BC | BaTbZn4 | Ba1 Tb1 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
5.72652785,
0,
0
],
[
2.86326392,
4.95931859,
0
],
[
2.86326392,
1.6531062,
4.67569041
]
] | agm001187623 | [
[
5.7265307381678205,
3.306210757153611,
0.5546480237870457
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[
5.72653073816782,
1.6249974257003803,
2.9322427224264827
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4.146817425422733,
2.9322427224264827
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4.270557278887072,
4.146817425422733,
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[
0,
0,
0
],
[
2.8632639225,
1.6531061974999999,
1.1689226025
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Zn",
"Zn",
"Zn",
"Tb",
"Ba"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
2.4037962,
0,
0
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[
0,
2.4037962,
0
],
[
0,
0,
2.4037962
]
] | -12.420723 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
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[
0.00114706,
0.00066225,
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[
-0.00114706,
0.00066225,
0.00046828
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.000126 | 7.581034 | pbe | true | 627a857d31eda7e05a483f32dde0b798_216_Ba1Tb1Zn4 |
[
"Be",
"Cr",
"In"
] | 6 | A4BC | Be4CrIn | Be4 Cr1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.21018423,
3.21018423
],
[
3.21018423,
0,
3.21018423
],
[
3.21018423,
3.21018423,
0
]
] | agm005433542 | [
[
2.4301715470730083,
3.9901968808251493,
3.9901968808251493
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[
3.9901968808251493,
3.9901968808251493,
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3.9901968808251493
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[
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[
4.815276345,
4.815276345,
4.815276345
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Be",
"Be",
"Be",
"Be",
"Cr",
"In"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
3.413671,
0,
0
],
[
0,
3.413671,
0
],
[
0,
0,
3.413671
]
] | -26.382945 | [
-0.016,
-0.016,
-0.016,
-0.016,
2.663,
0.028
] | [
[
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0.00461946,
0.00461946
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[
0.00461946,
0.00461946,
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[
0.00461946,
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0.00461946
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[
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-0.00461946,
-0.00461946
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[
0,
0,
0
],
[
0,
0,
0
]
] | 2.943802 | 1.87894 | pbe | true | 9940a252c7db7443e8819f616e464e78_216_Be4Cr1In1 |
[
"Be",
"Cr",
"Mn"
] | 4 | A2BC | Be2CrMn | Mn1 Be2 Cr1 | 3 | [
1,
1,
1
] | 3 | [
[
2.77495939,
0,
0
],
[
0,
2.77495939,
0
],
[
0,
0,
5.13259252
]
] | agm004416273 | [
[
0,
0,
2.6521030444012106
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[
1.387479695,
1.387479695,
3.791885649747413
],
[
0,
0,
0.0750312143610216
],
[
1.387479695,
1.387479695,
1.1798689228162804
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Cr",
"Mn",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.9548616,
0,
0
],
[
0,
6.9548616,
0
],
[
0,
0,
8.535152
]
] | -26.280079 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
-0.00015299
],
[
0,
0,
0.01157921
],
[
0,
0,
-0.00945651
]
] | 0.000075 | 2.683142 | pbe | true | 828670f88b072b5e15dfc6c16a6acc21_99_Mn1Be2Cr1 |
[
"Be",
"F",
"N"
] | 14 | A3B3C | Be3F3N | Be6 N2 F6 | 3 | [
1,
1,
1
] | 3 | [
[
2.65159405,
4e-8,
0
],
[
0.00003396,
13.62951527,
0
],
[
0,
0,
17.80490379
]
] | agm2000095289 | [
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2.11621425331619,
9.122053465876371,
9.805327705199588
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[
0.5353953878829385,
2.30729294483135,
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7.99957626284945
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0.7900144512643892,
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10.304903749406698
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[
0.535931885035981,
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[
0.5359319380668434,
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10.30490357135766
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[
2.1156767753318406,
7.6215955311462755,
7.499999862544266
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[
1.8633943728114852,
12.756321184720239,
8.902451716950962
],
[
0.7882482014697543,
5.941566804585294,
8.902451716950962
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"N",
"N",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] | [
[
0.372393,
9.6e-7,
0
],
[
9.6e-7,
0.38465267,
0
],
[
0,
0,
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]
] | -78.641248 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00396499,
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[
0.00396499,
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[
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[
0.00240114,
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0
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[
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[
0.00149687,
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0
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[
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[
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[
0.00126799,
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[
0.00126799,
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[
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],
[
-0.00027828,
-0.00247667,
0
],
[
0.00027827,
-0.00247667,
0
]
] | -0.000002 | 0 | pbe | true | 9a3c0a350a77a3bbc57d5160c11a5005_26_Be6N2F6 |
[
"Be",
"Ge",
"Hg"
] | 5 | A3BC | BeGe3Hg | Be1 Hg1 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
5.19355541,
0,
0
],
[
0,
5.19355541,
0
],
[
0,
0,
5.19355541
]
] | agm002418531 | [
[
2.596777705,
2.596777705,
2.596777705
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[
0,
2.596777705,
0
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[
0,
0,
2.596777705
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[
2.596777705,
0,
0
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[
0,
0,
0
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Be",
"Ge",
"Ge",
"Ge",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
2.8535426,
0,
0
],
[
0,
2.8535426,
0
],
[
0,
0,
2.8535426
]
] | -11.098037 | [
0,
0,
0,
0.001,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.191983 | pbe | true | af57af1eb252210d7cea23967b2cd50e_221_Be1Hg1Ge3 |
[
"Be",
"I",
"La"
] | 20 | A12B7C | BeI12La7 | La7 Be1 I12 | 3 | [
1,
1,
1
] | 3 | [
[
10.76758735,
0,
-2.21608278
],
[
-4.53976384,
8.16741524,
-3.87995971
],
[
-1.68806071,
1.7e-7,
9.9760029
]
] | agm005779267 | [
[
-2.5563903065250764,
6.475397727784078,
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[
9.58213584705399,
0.5932699012416494,
0.3723220031999607
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[
2.7635331828326173,
5.88212799654243,
3.597869168984739
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[
5.383793675,
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[
1.7762296171673824,
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[
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3.5076384068000395
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[
7.096153106525075,
1.692017682215922,
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[
0,
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
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"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.05,
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[
-0.00077492,
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0.0031572
]
] | 0.003314 | 12.070079 | pbe | true | c46c85df0f07bdbb32b25410cd775162_148_La7Be1I12 |
[
"Be",
"K",
"Ni"
] | 4 | A2BC | BeKNi2 | K1 Be1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
4.83286529,
0.05305381,
-2e-8
],
[
1.62055415,
4.55337302,
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],
[
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2.76459222
]
] | agm004063286 | [
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Ni",
"Ni",
"K",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
0.19209044,
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[
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]
] | -12.089416 | [
0.198,
0.134,
0.001,
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.330905 | 5.082101 | pbe | true | 151c1a37a70ae66d54dc332eba872170_119_K1Be1Ni2 |
[
"Be",
"Ir",
"Y"
] | 12 | A3B2C | Be3Ir2Y | Y2 Be6 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
5.18400885,
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0
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[
-2.59200494,
4.48948358,
0
],
[
0,
0,
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] | agm005876660 | [
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] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
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0.16666666666666666
] | [
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2e-8,
0
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[
2e-8,
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[
0,
0,
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]
] | -77.152391 | [
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0,
0,
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[
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0,
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[
0,
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[
0,
0,
0
]
] | 0.000507 | 10.354127 | pbe | true | dc46f6d7f2b18b9ecdb904be5607ba51_191_Y2Be6Ir4 |
[
"Be",
"Li",
"Ta"
] | 4 | A2BC | Be2LiTa | Li1 Ta1 Be2 | 3 | [
1,
1,
1
] | 3 | [
[
4.02001886,
-0.00099951,
0
],
[
0.0053481,
4.02001542,
0
],
[
-2.01268065,
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2.84104881
]
] | agm003803665 | [
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0,
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0
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[
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2.01268348,
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0
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Be",
"Be",
"Li",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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1.8e-7
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[
-0.5320523,
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1.8e-7
],
[
1.8e-7,
1.8e-7,
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]
] | -19.71222 | [
0,
0,
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0
] | [
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[
0,
0,
0
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[
0,
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[
0,
0,
0
]
] | -0.000005 | 1.094398 | pbe | true | 203b38fd1a5651f12fe85d3b669006b5_216_Li1Ta1Be2 |
[
"Be",
"Li",
"Te"
] | 4 | A2BC | Be2LiTe | Li1 Be2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
3.58237399,
0,
0
],
[
0,
2.94525471,
0
],
[
0,
0,
6.20330624
]
] | agm004068740 | [
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0,
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[
0,
0,
2.95521166959232
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[
1.791186995,
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]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Be",
"Be",
"Li",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
0,
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0
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[
0,
0,
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]
] | -11.30814 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.01191938
],
[
0,
0,
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[
0,
0,
0.00705485
]
] | -0.000013 | 1.256717 | pbe | true | 3b47b029fd4af087a025188477ca897d_25_Li1Be2Te1 |
[
"Be",
"Mg",
"P"
] | 4 | A2BC | BeMg2P | Mg2 Be1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
8.30013829,
0.00364927,
0.0021571
],
[
7.72880479,
3.02619983,
0.0021571
],
[
7.72880479,
1.46092678,
2.65020433
]
] | agm004417172 | [
[
5.939436967499999,
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[
0.0670685973919674,
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11.811805337608032,
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1.3197655060994395
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[
17.8183109025,
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]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Mg",
"Mg",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.8700234,
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[
0.05378389,
1.5956545,
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],
[
0.03179191,
0.00600942,
1.5890403
]
] | -11.267048 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
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],
[
0.0041953,
0.00079301,
0.00046875
],
[
0,
0,
0
]
] | -0.000165 | 2.603278 | pbe | true | 2ade715add7ed9e81f1ecd198cdccee2_166_Mg2Be1P1 |
[
"Be",
"Ni",
"Y"
] | 14 | A3B3C | BeNi3Y3 | Y6 Be2 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
3.74974498,
0,
0.56484487
],
[
1.84852962,
5.0364952,
0.45729977
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[
-0.14790942,
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13.7107405
]
] | agm005932594 | [
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2.5040503162864853,
1.6963617611602728,
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[
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[
5.117455250085211,
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4.2140831249775825
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[
0.33290992991478924,
0.7574673622563696,
10.518802015022418
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
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"Y",
"Y",
"Y",
"Y",
"Be",
"Be",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] | [
[
-3.8756003,
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[
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0.0357293
],
[
0.04398969,
0.03572563,
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]
] | -86.172277 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
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[
0.00008588,
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[
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[
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[
0.0001244,
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[
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[
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],
[
0.00018447,
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[
0.00009822,
0.00371473,
-0.00065207
],
[
-0.00009822,
-0.00371473,
0.00065207
]
] | 0 | 8.392639 | pbe | true | 1fce1b4b53a1dbcfd607cce10db22338_12_Y6Be2Ni6 |
[
"Be",
"O",
"Ru"
] | 5 | A3BC | BeORu3 | Be1 Ru3 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.10138016,
0,
0
],
[
0,
4.10138016,
0
],
[
0,
0,
4.10138016
]
] | agm002420063 | [
[
0,
2.05069008,
0
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[
0,
0,
2.05069008
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[
2.05069008,
0,
0
],
[
2.05069008,
2.05069008,
2.05069008
],
[
0,
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0
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Ru",
"Ru",
"Ru",
"O",
"Be"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.363909,
0,
0
],
[
0,
1.363909,
0
],
[
0,
0,
1.363909
]
] | -29.935223 | [
1.214,
0.866,
1.097,
0.434,
-0.042
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.723022 | 4.453766 | pbe | true | 82e09b6718c1908a7c2a4248ef97bbab_221_Be1Ru3O1 |
[
"Be",
"Pb",
"Ru"
] | 4 | A2BC | BePbRu2 | Be1 Ru2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
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