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[
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1,
1
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[
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[
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1,
1,
1
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] | 0 | 2.161023 | pbe | true | ff60fa26d117a57e0d56f979db0cc8eb_12_Al1Ga1Au6 |
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"Sc",
"Sc",
"Al",
"Au"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
4.5743856,
0,
0
],
[
0,
4.5743856,
0
],
[
0,
0,
4.5743856
]
] | -31.428943 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00090956,
0.00090956,
-0.00090956
],
[
0.00090956,
-0.00090956,
-0.00090956
],
[
-0.00090956,
-0.00090956,
0.00090956
],
[
0.00090956,
0.00090956,
0.00090956
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000107 | 6.347361 | pbe | true | 40065a9ad09abdd96ba157b30fdc905f_216_Sc4Al1Au1 |
[
"Al",
"Au",
"Y"
] | 4 | A2BC | AlAuY2 | Y2 Al1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.56557218,
-0.00363973,
0
],
[
0.004113,
3.56558018,
0
],
[
0,
0,
7.46759279
]
] | agm003168321 | [
[
0,
0,
7.420032363603842
],
[
0,
0,
3.781356821396159
],
[
1.78484259,
1.780970225,
5.6006945925
],
[
1.78484259,
1.780970225,
1.8668981975
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Au",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.0758288,
-0.05982008,
0
],
[
-0.05982008,
2.076099,
0
],
[
0,
0,
1.9428355
]
] | -22.477364 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00070614
],
[
0,
0,
0.00070614
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 | 1.777239 | pbe | true | 9f3462e5ab36fbc383d42c1d226aa3ef_123_Y2Al1Au1 |
[
"Al",
"B",
"Mn"
] | 8 | A2BC | AlBMn2 | Mn4 Al2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.44188942,
0,
0
],
[
0,
3.44188942,
0
],
[
1.72094471,
1.72094471,
7.91342964
]
] | agm002796953 | [
[
1.72094471,
1.72094471,
0
],
[
1.72094471,
3.44188942,
3.95671482
],
[
1.1663292842995077,
0.860472355,
1.97835741
],
[
2.275560135700492,
2.5814170649999997,
1.97835741
],
[
2.581417065,
3.996504845700492,
5.93507223
],
[
4.302361775,
2.8872739942995076,
5.93507223
],
[
0,
0,
0
],
[
3.44188942,
1.72094471,
3.95671482
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"B",
"Mn",
"Mn",
"Mn",
"Mn",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.857238,
0,
0
],
[
0,
7.857238,
0
],
[
0,
0,
8.17656
]
] | -54.27176 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00166675,
0,
0
],
[
0.00166675,
0,
0
],
[
0,
0.00166675,
0
],
[
0,
-0.00166675,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000099 | 6.243689 | pbe | true | 85ec9eedea69656865fe7e11768670fb_122_Mn4Al2B2 |
[
"Al",
"B",
"Nb"
] | 14 | A5BC | AlBNb5 | Nb10 Al2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
5.20750376,
-1.1741872,
-1.12170703
],
[
0.53858311,
5.31100172,
-1.12170703
],
[
0.79110637,
0.56954592,
8.01873113
]
] | agm003759557 | [
[
4.589658451903184,
2.423180281526421,
-1.4112724365967684
],
[
1.1892252669437486,
3.453935298869343,
2.096058910861629
],
[
4.1496484310229516,
3.8685609388823754,
2.598093128403232
],
[
4.860504107879883,
-0.2750997326980227,
0.8829757525000002
],
[
2.488846434444029,
4.389579300519294,
-0.3301074058616286
],
[
4.048346805555971,
0.31678113948070535,
6.105424475861629
],
[
1.6766891321201165,
4.981460172698022,
4.892341317500001
],
[
2.387544808977049,
0.8377995011176248,
3.1772239415967687
],
[
5.347967973056251,
1.2524251411306568,
3.6792581591383713
],
[
1.947534788096816,
2.2831801584735794,
7.186589506596769
],
[
3.277985966269725,
1.9230376714296717,
0.8829757525000002
],
[
3.2592072737302744,
2.7833227685703283,
4.892341317500001
],
[
0,
0,
0
],
[
0.395553185,
0.28477296,
4.009365565
]
] | [{"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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Al",
"Al",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
] | [
[
0.33582038,
0.00784532,
-0.08818652
],
[
0.00784532,
0.33057126,
-0.06348865
],
[
-0.08818639,
-0.06348855,
0.24649122
]
] | -123.00133 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00128659,
0.00427698,
0.0036786
],
[
0.00018466,
0.0015848,
-0.00070494
],
[
0.00364785,
-0.00257702,
0.0036786
],
[
0.00047398,
-0.00065837,
0
],
[
-0.00156152,
0.00032767,
0.00070494
],
[
0.00156152,
-0.00032767,
-0.00070494
],
[
-0.00047398,
0.00065837,
0
],
[
-0.00364785,
0.00257702,
-0.0036786
],
[
-0.00018466,
-0.0015848,
0.00070494
],
[
0.00128659,
-0.00427698,
-0.0036786
],
[
0.00157217,
-0.00218377,
0
],
[
-0.00157217,
0.00218377,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 10.832985 | pbe | true | c042d9b422a33c82fcb16844b0020f04_15_Nb10Al2B2 |
[
"Al",
"Ba",
"Co"
] | 5 | A3BC | Al3BaCo | Ba1 Al3 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.3945853,
-0.00204053,
0.00459294
],
[
0.00035087,
4.39458618,
0.00459289
],
[
-2.20187867,
-2.20068073,
5.53197015
]
] | agm002251218 | [
[
2.1952762057899102,
2.1940822192515865,
1.6054814549329643
],
[
0.0004032489789591996,
0.000403038064831198,
0.1659881657403176
],
[
2.195298432919487,
-0.003958586860769852,
2.808262854759117
],
[
-0.002764113733438874,
2.1953006144433527,
2.8082628297483603
],
[
-0.002796506571342873,
-0.0027947535513515,
4.570200987113801
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Co",
"Ba",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.2870466,
0.30112678,
-0.12187785
],
[
0.30112678,
1.2867191,
-0.12181165
],
[
-0.12187803,
-0.12181183,
-1.7592413
]
] | -20.812146 | [
0.261,
0.004,
-0.002,
-0.002,
0.003
] | [
[
0.00000254,
0.00000254,
-0.04239745
],
[
0.00331968,
0.00331787,
-0.01913571
],
[
0.00140081,
-0.00158094,
0.03787306
],
[
-0.00158018,
0.00140167,
0.03787306
],
[
-0.00314284,
-0.00314114,
-0.01421295
]
] | 0.292489 | 4.887493 | pbe | true | 61f09db5c8c7ba706e3555702c4f66c5_107_Ba1Al3Co1 |
[
"Al",
"Ba",
"Se"
] | 5 | A3BC | AlBa3Se | Ba3 Al1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
6.36900599,
0,
0
],
[
0,
6.36900599,
0
],
[
0,
0,
6.36900599
]
] | agm002399378 | [
[
0,
3.184502995,
0
],
[
0,
0,
3.184502995
],
[
3.184502995,
0,
0
],
[
3.184502995,
3.184502995,
3.184502995
],
[
0,
0,
0
]
] | [{"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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Ba",
"Ba",
"Ba",
"Se",
"Al"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.05310684,
0,
0
],
[
0,
0.05310684,
0
],
[
0,
0,
0.05310684
]
] | -14.025017 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 4.569149 | pbe | true | 769177d5378bc916ac573d6a2b7036b4_221_Ba3Al1Se1 |
[
"Al",
"Ce",
"Nb"
] | 6 | A4BC | Al4CeNb | Ce1 Nb1 Al4 | 3 | [
1,
1,
1
] | 3 | [
[
5.39836732,
0,
0
],
[
2.69918366,
4.67512324,
0
],
[
2.69918366,
1.55837441,
4.40774846
]
] | agm001170247 | [
[
0,
0,
0
],
[
5.398370019183661,
3.1167472678798824,
0.5452879394397211
],
[
5.39837001918366,
1.5530181537199894,
2.756734857603939
],
[
6.752599154678887,
3.898611822451239,
2.756734857603939
],
[
4.044140883688434,
3.898611822451239,
2.756734857603939
],
[
2.69918366,
1.5583744124999999,
1.101937115
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Nb",
"Al",
"Al",
"Al",
"Al",
"Ce"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
1.3650196,
0,
0
],
[
0,
1.3650196,
0
],
[
0,
0,
1.3650196
]
] | -32.585308 | [
-0.032,
0.003,
0.003,
0.003,
0.003,
0.524
] | [
[
0,
0,
0
],
[
0,
0,
0.00269272
],
[
0,
0.00253872,
-0.00089757
],
[
-0.0021986,
-0.00126936,
-0.00089757
],
[
0.0021986,
-0.00126936,
-0.00089757
],
[
0,
0,
0
]
] | 0.623142 | 7.570579 | pbe | true | c7a289efba1488c6109995dd20eeeb88_216_Ce1Nb1Al4 |
[
"Al",
"Cl",
"Os"
] | 4 | A2BC | AlCl2Os | Al1 Os1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.98322896,
0,
0
],
[
0,
2.98322896,
0
],
[
0,
0,
8.67026798
]
] | agm003945346 | [
[
0,
0,
4.606240004224591
],
[
1.49161448,
1.49161448,
6.198827600403955
],
[
0,
0,
7.921462973690374
],
[
1.49161448,
1.49161448,
2.9491393716810808
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Os",
"Al",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.74214715,
0,
0
],
[
0,
0.74214715,
0
],
[
0,
0,
1.1978337
]
] | -18.435934 | [
-0.001,
0,
0,
0
] | [
[
0,
0,
-0.00395788
],
[
0,
0,
0.00221038
],
[
0,
0,
-0.00109473
],
[
0,
0,
0.00284223
]
] | -0.000698 | 3.903427 | pbe | true | db3d78e1355115c44c057ddaf1b1ffd0_99_Al1Os1Cl2 |
[
"Al",
"Cl",
"Os"
] | 4 | A2BC | AlCl2Os | Al1 Os1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
2.88031229,
0,
0
],
[
0,
5.31395496,
0
],
[
0,
0,
4.30611591
]
] | agm004039631 | [
[
1.440156145,
0,
2.153057955
],
[
0,
2.65697748,
2.153057955
],
[
0,
0,
0
],
[
1.440156145,
2.65697748,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Os",
"Al",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.3669109,
0,
0
],
[
0,
1.3448728,
0
],
[
0,
0,
1.239779
]
] | -16.555538 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000187 | 2.267507 | pbe | true | db3d78e1355115c44c057ddaf1b1ffd0_47_Al1Os1Cl2 |
[
"Al",
"Cl",
"Zn"
] | 3 | ABC | AlClZn | Al1 Zn1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.13180899,
0,
0
],
[
-1.5659045,
2.71222615,
0
],
[
0,
0,
7.85990416
]
] | agm003986081 | [
[
-1.8992378453733008e-8,
1.8081507757074204,
5.942074418920053
],
[
0,
0,
0.1093444715045888
],
[
1.5659045089923787,
0.9040753742925793,
1.8084852695753584
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Al",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.2061244,
0,
0
],
[
0,
1.2061244,
0
],
[
0,
0,
1.0125592
]
] | -7.454571 | [
0,
0,
0
] | [
[
0,
0,
0.00149785
],
[
0,
0,
-0.00007911
],
[
0,
0,
-0.00141874
]
] | -0.000001 | 0.21189 | pbe | true | fe0aeec8418d1d4c1d9e1bb2752c1f7d_156_Al1Zn1Cl1 |
[
"Al",
"Co",
"Er"
] | 11 | A8B2C | Al2CoEr8 | Er8 Al2 Co1 | 3 | [
1,
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[
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[
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[
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1,
1
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[
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1
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[
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1
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] | -0 | 4.922196 | pbe | true | e143985f936ede609ea246ff61b7f673_63_Ho2Al6Ni4 |
[
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[
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[
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[
-1.4e-7,
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]
] | 5.473414 | 6.901834 | pbe | true | 7c8f370f52275932ec5cbfbbaed35f88_191_Ho2Pu1Al6 |
[
"Al",
"Ho",
"Te"
] | 18 | A6B2C | Al2HoTe6 | Ho2 Al4 Te12 | 3 | [
1,
1,
1
] | 3 | [
[
7.9901345,
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-0.29404453
],
[
1.95055139,
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] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Ho",
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"Al",
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"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
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] | 0 | 0.83214 | pbe | true | eb2e928768835b536789d384409b5dbd_15_Ho2Al4Te12 |
[
"Al",
"Ho",
"Y"
] | 7 | A3B2C2 | Al2Ho3Y2 | Y2 Ho3 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.42264064,
0,
0.45422187
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[
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] | agm005561629 | [
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"Y",
"Y",
"Ho",
"Ho",
"Ho",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
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[
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]
] | 0.530022 | 6.883398 | pbe | true | f215bccea72af439e291f192e4a0349a_65_Y2Ho3Al2 |
[
"Al",
"In",
"P"
] | 7 | A3B3C | AlIn3P3 | Al1 In3 P3 | 3 | [
1,
1,
1
] | 3 | [
[
6.71993586,
-0.00000179,
0
],
[
0.00000859,
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0
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[
0,
0,
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] | agm2000071186 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Al",
"In",
"In",
"In",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] | [
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[
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] | -26.832692 | [
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[
1e-8,
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]
] | 0 | 2.154565 | pbe | true | 73dfbc1c471ee50764c4a830371da040_6_Al1In3P3 |
[
"Al",
"La",
"Sn"
] | 16 | A3B3C2 | Al2La3Sn3 | La6 Al4 Sn6 | 3 | [
1,
1,
1
] | 3 | [
[
4.88856082,
1e-8,
0
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[
-2.4442799,
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[
0,
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] | agm005579043 | [
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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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"La",
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"La",
"La",
"La",
"Al",
"Al",
"Al",
"Al",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
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[
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[
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[
0,
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] | -77.352601 | [
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0,
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[
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[
0,
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[
0,
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0
]
] | -0 | 6.709173 | pbe | true | d8b2eebdf3013de21ee073541336bca5_63_La6Al4Sn6 |
[
"Al",
"Li",
"Th"
] | 4 | A2BC | AlLi2Th | Li2 Th1 Al1 | 3 | [
1,
1,
1
] | 3 | [
[
4.82310813,
0,
0
],
[
2.41155407,
4.17693417,
0
],
[
2.41155407,
1.39231139,
3.9380513
]
] | agm001092525 | [
[
4.823108135,
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1.96902565
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0,
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[
2.4115540675,
1.39231139,
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[
7.2346622025,
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]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Th",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
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[
0,
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[
0,
0,
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] | -15.118438 | [
0,
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[
0,
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[
0,
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[
0,
0,
0
]
] | -0.000005 | 1.461916 | pbe | true | efec1d6fe2f25f49b5b3492908b0ae1f_225_Li2Th1Al1 |
[
"Al",
"Lu",
"Pt"
] | 8 | A2BC | AlLuPt2 | Lu2 Al2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.31419747,
0,
0
],
[
-2.15709873,
3.7362046,
0
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[
0,
0,
9.05865701
]
] | agm002197205 | [
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Lu",
"Al",
"Al",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.032284,
0,
0
],
[
0,
3.032284,
0
],
[
0,
0,
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]
] | -50.524262 | [
0,
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0,
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[
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[
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0,
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[
0,
0,
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[
0,
0,
0.00382472
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] | -0 | 3.981073 | pbe | true | cbfcf6d8faba98b52c406a5ca03c7730_194_Lu2Al2Pt4 |
[
"Al",
"Mo",
"O"
] | 24 | A4BC | AlMoO4 | Al4 Mo4 O16 | 3 | [
1,
1,
1
] | 3 | [
[
6.42884933,
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1.72099639
],
[
0.3396619,
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],
[
0.19009865,
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]
] | agm005849937 | [
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-0.01153933
]
] | 0.000009 | 51.316265 | pbe | true | 10e238c57eeb380c1bf0d9f99297b6ec_230_Nb20Al12Rh48 |
[
"Al",
"Nd",
"Pd"
] | 6 | A4BC | AlNdPd4 | Nd1 Al1 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
5.37691124,
0,
0
],
[
2.68845562,
4.65654173,
0
],
[
2.68845562,
1.55218058,
4.39022964
]
] | agm001170689 | [
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[
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[
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"Nd",
"Al",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
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[
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[
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[
-0.00103366,
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]
] | -0.000008 | 3.253341 | pbe | true | 8a948310ffaf5e6d55ef055ce701cbb4_216_Nd1Al1Pd4 |
[
"Al",
"Nd",
"Pu"
] | 4 | A2BC | Al2NdPu | Nd1 Pu1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
5.17676314,
0,
0
],
[
2.58838157,
4.48320839,
0
],
[
2.58838157,
1.4944028,
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[
2.58838157,
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[
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[
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"Nd",
"Al",
"Al",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
0,
1.9639169,
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[
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] | -27.31444 | [
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[
0,
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[
0,
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[
0,
0,
0
]
] | 5.406847 | 7.16706 | pbe | true | bb59a38dc6138949411362b4bb486b3e_225_Nd1Pu1Al2 |
[
"Al",
"Nd",
"Se"
] | 18 | A5B2C2 | Al2Nd5Se2 | Nd10 Al4 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
7.51504662,
0,
2.72791614
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[
0,
8.01370191,
0
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[
1.12463644,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
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"Nd",
"Nd",
"Nd",
"Nd",
"Al",
"Al",
"Al",
"Al",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
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[
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[
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0,
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[
-0.00003595,
0,
0.00009903
]
] | 0.000124 | 19.63524 | pbe | true | 8b53e1be70a5e496ae21e5fffea354c1_64_Nd10Al4Se4 |
[
"Al",
"Ni",
"Tm"
] | 4 | A2BC | AlNi2Tm | Tm1 Al1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
4.41778148,
0,
0
],
[
2.20889074,
3.82591099,
0
],
[
2.20889074,
1.27530367,
3.60710347
]
] | agm002135051 | [
[
2.20889074,
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0.9017758675
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[
6.626672220000001,
3.825910995,
2.7053276025
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[
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1.803551735
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ni",
"Ni",
"Tm",
"Al"
] | 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,
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0
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[
0,
0,
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] | -21.850341 | [
0,
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0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.829045 | pbe | true | 436d6902a393b4f4c58c9727aefbdcf4_225_Tm1Al1Ni2 |
[
"Al",
"Os",
"Re"
] | 4 | A2BC | AlOs2Re | Al1 Re1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
5.11352735,
-0.00207871,
0.00100977
],
[
2.33435958,
4.54960785,
-0.00100977
],
[
-3.1665202,
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2.44259152
]
] | agm004388834 | [
[
2.8354753075,
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1.221800645
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[
0.12353839842338721,
0.07543004774634561,
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0.4338848665766126,
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2.44259152
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1.4458914225000004,
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1.220790875
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Re",
"Os",
"Os",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
13.820529,
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0.05659361
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[
-0.2650736,
14.092814,
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[
0.05659361,
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14.159712
]
] | -38.640771 | [
0,
0,
0,
0
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[
0,
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[
0.01953977,
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],
[
-0.01953977,
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0
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[
0,
0,
0
]
] | -0.000548 | 3.313448 | pbe | true | 6dc37e9800e89b9f0bd14b3cc6e9f28d_71_Al1Re1Os2 |
[
"Al",
"Se",
"Y"
] | 10 | A3BC | AlSe3Y | Y2 Al2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
4.01174471,
0,
6.83868827
],
[
-2.00587236,
3.47427284,
6.83868827
],
[
-2.00587236,
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]
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0
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[
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[
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[
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Al",
"Al",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0
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[
0,
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0
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[
0,
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]
] | -53.464584 | [
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[
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[
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[
0.0022895,
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[
-0.0022895,
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0
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] | 0 | 0 | pbe | true | 33861f8ccbd2f6bc7dc411430d359cec_167_Y2Al2Se6 |
[
"Al",
"Ti",
"V"
] | 8 | A2BC | AlTiV2 | Ti2 Al2 V4 | 3 | [
1,
1,
1
] | 3 | [
[
6.91889362,
0,
0
],
[
0,
6.91889362,
0
],
[
3.45944681,
3.45944681,
2.61668024
]
] | agm002788725 | [
[
0,
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0
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[
6.91889362,
3.45944681,
1.30834012
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[
3.45944681,
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0
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3.45944681,
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5.210269727038871,
1.96251018
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[
8.648617025,
8.627517512961129,
1.96251018
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ti",
"Ti",
"Al",
"Al",
"V",
"V",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.8083918,
0,
0
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[
0,
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[
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] | -56.233289 | [
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0
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[
0,
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0
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[
0,
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0
]
] | 0.000017 | 10.98735 | pbe | true | 8481761a93a844b1e71945600afa9dbe_122_Ti2Al2V4 |
[
"Al",
"Tc",
"Zr"
] | 26 | A10B2C | Al10Tc2Zr | Zr2 Al20 Tc4 | 3 | [
1,
1,
1
] | 3 | [
[
6.84537559,
0.09332949,
0
],
[
-0.92125733,
6.78374365,
0
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[
0,
0,
9.09694957
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] | agm005743168 | [
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5.792325559256724,
1.000458861175849,
6.8227121775
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
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"Al",
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"Al",
"Al",
"Al",
"Al",
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"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | 0.000008 | 14.804363 | pbe | true | 4cc299b5842eeac7a221a536fcfe9349_63_Zr2Al20Tc4 |
[
"Al",
"Y",
"Zr"
] | 9 | A6B2C | Al6YZr2 | Y1 Zr2 Al6 | 3 | [
1,
1,
1
] | 3 | [
[
4.24326849,
0,
0
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[
2.12163424,
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[
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] | agm003505603 | [
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Zr",
"Zr",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
0,
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[
0,
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]
] | 0 | 4.641238 | pbe | true | 20c4a9b0321da726ae9e0975e8025996_71_Y1Zr2Al6 |
[
"As",
"Au",
"Sr"
] | 6 | A4BC | AsAuSr4 | Sr4 As1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.81941514,
4.81941514
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[
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0,
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[
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]
] | agm005477907 | [
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"As",
"Au"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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] | -12.597689 | [
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[
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] | 0.009288 | 7.999831 | pbe | true | 7496eed5f5341667a6fbd2ceedf9ead5_216_Sr4As1Au1 |
[
"As",
"B",
"Mo"
] | 4 | A2BC | AsBMo2 | B1 Mo2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
3.14411639,
0,
0
],
[
-1.57205819,
2.72288466,
0
],
[
0,
0,
6.4477206
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] | agm002084441 | [
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}] | [
"Mo",
"Mo",
"B",
"As"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
0.15478373,
0
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[
0,
0,
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]
] | -33.583671 | [
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] | [
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[
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000006 | 3.054452 | pbe | true | f5508aafe35f406f58d8b7496b91657c_164_B1Mo2As1 |
[
"As",
"B",
"Ni"
] | 12 | A3B2C | As3B2Ni | Ni2 B4 As6 | 3 | [
1,
1,
1
] | 3 | [
[
5.09301841,
2e-8,
0
],
[
2.1e-7,
8.66952063,
0
],
[
0,
0,
17.36136722
]
] | agm2000084660 | [
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2.380532293e-7,
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}] | [
"Ni",
"Ni",
"As",
"As",
"As",
"As",
"As",
"As",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
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0
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[
-1e-8,
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],
[
0,
0.02413925,
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]
] | -59.899166 | [
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] | [
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[
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[
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[
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[
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],
[
-0.00053018,
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-0.00044751
]
] | -0.000003 | 4.914308 | pbe | true | d9273a301ea21f619952a569510edffb_8_Ni2B4As6 |
[
"As",
"B",
"Tc"
] | 4 | A2BC | As2BTc | Tc1 B1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.05584804,
3.05584804
],
[
3.05584804,
0,
3.05584804
],
[
3.05584804,
3.05584804,
0
]
] | agm002640549 | [
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[
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[
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}] | [
"As",
"As",
"B",
"Tc"
] | 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
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[
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0,
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] | -22.721068 | [
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0
] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.307825 | pbe | true | fe90a745b4c3c6c568cd1c9b4f76b8f3_225_Tc1B1As2 |
[
"As",
"Ba",
"Cl"
] | 4 | A2BC | AsBaCl2 | Ba1 As1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
5.88132882,
-0.01272951,
0.00045466
],
[
-1.42139231,
5.70699874,
0.00045466
],
[
2.19596647,
2.80372249,
3.80980061
]
] | agm003993345 | [
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4.038647645,
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[
0.38728708,
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[
0,
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[
2.229968255,
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]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"As",
"Ba",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.09842935,
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[
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0.07829739,
0.0304082
],
[
0.02381665,
0.03040816,
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]
] | -14.555009 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000076 | 2.450316 | pbe | true | 88276483a9f58fba2ed3618e16aae30e_12_Ba1As1Cl2 |
[
"As",
"Ba",
"Ga"
] | 5 | A3BC | AsBa3Ga | Ba3 Ga1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
6.15283672,
0,
0
],
[
0,
6.15283672,
0
],
[
0,
0,
6.15283672
]
] | agm002480427 | [
[
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3.07641836
],
[
0,
3.07641836,
0
],
[
0,
0,
3.07641836
],
[
3.07641836,
0,
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": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"As",
"Ba",
"Ba",
"Ba",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0,
0
],
[
0,
0.53004795,
0
],
[
0,
0,
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]
] | -14.021185 | [
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0,
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0,
0
] | [
[
0,
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[
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.473578 | pbe | true | 5833f6efd5d39ae52a08ce1d4749c4eb_221_Ba3Ga1As1 |
[
"As",
"Ba",
"Ga"
] | 6 | A3B2C | AsBa2Ga3 | Ba2 Ga3 As1 | 3 | [
1,
1,
1
] | 3 | [
[
5.04832441,
0,
0
],
[
0,
4.5097328,
0
],
[
0,
0,
7.58889891
]
] | agm005892616 | [
[
0,
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0.0869091327631674
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[
0,
0,
3.7303559673648023
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[
2.524162205,
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[
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[
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2.2548664,
5.14677272384866
],
[
2.524162205,
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]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ba",
"Ba",
"Ga",
"Ga",
"Ga",
"As"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.5
] | [
[
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0,
0
],
[
0,
1.5170171,
0
],
[
0,
0,
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]
] | -21.139306 | [
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0,
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] | [
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] | -0 | 3.445413 | pbe | true | 70d687650078a29c0bcbd6bdb714cd45_25_Ba2Ga3As1 |
[
"As",
"Cl",
"Yb"
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1,
1,
1
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] | 0 | 0 | pbe | true | 42b0052ae5237996bee04b74bb0d38e5_221_Yb3As1Cl3 |
[
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1,
1
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[
"As",
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1,
1,
1
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] | 0.001256 | 2.746204 | pbe | true | 74913f21e8e48737b44938dc16a90098_156_Cr1As1W1 |
[
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1
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] | -0.000001 | 6.025416 | pbe | true | fc1a2a5763ce622af4b151bd682a5c25_87_Cs2As8P8 |
[
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1,
1
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] | 0.898156 | -0.398499 | pbe | true | d84204144f4408333ce2b037c3be93c9_79_Cs4As1O5 |
[
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1,
1
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[
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],
[
0.00079421,
0.00900459,
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],
[
-0.00079421,
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0.00014484
],
[
0.00079421,
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0.00014484
],
[
-0.00079421,
0.00900459,
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],
[
0.00053245,
0.00104154,
0.00323483
],
[
-0.00053245,
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],
[
0.00053245,
-0.00104154,
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],
[
-0.00053245,
0.00104154,
0.00323483
],
[
-0.00028824,
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],
[
0.00028824,
0.00018235,
0.00060336
],
[
-0.00028824,
0.00018235,
0.00060336
],
[
0.00028824,
-0.00018235,
-0.00060336
]
] | 0 | 6.542445 | pbe | true | 77e5183fabb1633cbd221eddb2c91920_14_Tl12As4H4 |
[
"As",
"I",
"P"
] | 4 | A2BC | AsI2P | As1 P1 I2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.67176734,
3.67176734
],
[
3.67176734,
0,
3.67176734
],
[
3.67176734,
3.67176734,
0
]
] | agm002721132 | [
[
1.83588367,
1.83588367,
1.83588367
],
[
5.50765101,
5.50765101,
5.50765101
],
[
0,
0,
0
],
[
3.67176734,
3.67176734,
3.67176734
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"I",
"I",
"P",
"As"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-1.1753646,
0,
0
],
[
0,
-1.1753646,
0
],
[
0,
0,
-1.1753646
]
] | -9.468504 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.543947 | pbe | true | 9eb4d1f3bf35ed3075f97341e8ad8cb5_225_As1P1I2 |
[
"As",
"I",
"Sb"
] | 4 | A2BC | AsISb2 | Sb2 As1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
4.78109056,
0,
0
],
[
2.39054528,
4.14054588,
0
],
[
2.39054528,
1.38018196,
8.01432364
]
] | agm001987926 | [
[
0,
0,
0
],
[
2.3905429133601728,
1.3801805936198597,
4.993870119341884
],
[
7.171638206639828,
4.140547246380141,
3.020453520658116
],
[
4.78109056,
2.76036392,
4.00716182
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"Sb",
"Sb",
"As"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.19829227,
0,
0
],
[
0,
0.19829227,
0
],
[
0,
0,
-0.04873818
]
] | -13.738606 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00539156
],
[
0,
0,
0.00539156
],
[
0,
0,
0
]
] | 0 | 2.176996 | pbe | true | fd00eaeb38ea8cc2d3174544c20dd2e9_166_Sb2As1I1 |
[
"As",
"Mn",
"Se"
] | 10 | A3BC | AsMnSe3 | Mn2 As2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
6.57075332,
-0.00011413,
0
],
[
3.2854755,
5.69038223,
0
],
[
3.28540961,
1.89675603,
6.56818287
]
] | agm002162169 | [
[
6.570819214352155,
3.7935120656478447,
2.0075426967119134
],
[
6.570819215647845,
3.7935120643521554,
4.560640173288086
],
[
9.856228854510714,
5.690268117310942,
3.264293027056788
],
[
3.2854095754892847,
1.8967560126890586,
3.3038898429432124
],
[
5.267235108780883,
6.025301099028951,
4.788811949599873
],
[
9.155397270096636,
3.806554499212837,
4.788811949599873
],
[
5.289825268413402,
1.548680594467288,
4.788811949599873
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[
7.874403321219117,
1.5617230309710488,
1.779370920400127
],
[
3.9862411599033627,
3.7804696307871626,
1.779370920400127
],
[
7.851813161586597,
6.038343535532713,
1.779370920400127
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"As",
"As",
"Mn",
"Mn",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.3415087,
0.00000584,
0
],
[
-0.00000584,
1.3415087,
0
],
[
0,
0,
0.60167915
]
] | -50.717592 | [
0.028,
0.028,
3.224,
3.224,
-0.119,
-0.121,
-0.12,
-0.119,
-0.121,
-0.12
] | [
[
0,
0,
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],
[
0,
0,
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[
0,
0,
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],
[
0,
0,
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[
0.00455985,
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[
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[
0.00089033,
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[
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[
0.00545018,
0.0021186,
-0.00053201
],
[
-0.00089033,
-0.00577929,
-0.00053201
]
] | 5.999862 | 4.814638 | pbe | true | bc26542a04f499681cd92f5062fc430f_148_Mn2As2Se6 |
[
"As",
"Mn",
"Ta"
] | 4 | A2BC | AsMnTa2 | Ta2 Mn1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.16479987,
3.16479987
],
[
3.16479987,
0,
3.16479987
],
[
3.16479987,
3.16479987,
0
]
] | agm002701121 | [
[
3.16479987,
3.16479987,
3.16479987
],
[
0,
0,
0
],
[
1.582399935,
1.582399935,
1.582399935
],
[
4.747199805,
4.747199805,
4.747199805
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"As",
"Mn",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5518231,
0,
0
],
[
0,
3.5518231,
0
],
[
0,
0,
3.5518231
]
] | -37.153069 | [
0.04,
1.932,
-0.196,
-0.196
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.540746 | 4.71639 | pbe | true | 0accebe209aab4175670f227cb7209d4_225_Ta2Mn1As1 |
[
"As",
"Nb",
"Re"
] | 14 | A4B2C | As4NbRe2 | Nb2 Re4 As8 | 3 | [
1,
1,
1
] | 3 | [
[
6.56279059,
0.11468733,
-1.74060951
],
[
-3.66670985,
5.44413605,
-1.74060954
],
[
-0.07830532,
-0.1503017,
7.22321988
]
] | agm006049278 | [
[
2.195773064923163,
1.2956173347747384,
2.620064204797512
],
[
5.03367002219619,
0.37932652957248225,
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[
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4.2674692511287065,
2.3544399476871325
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[
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2.61708923979816,
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[
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2.4595277833327533,
1.951364048996811
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[
2.161372745707363,
1.069855242806415,
5.5629739963963845
],
[
4.079096123518977,
1.7969804104505447,
4.106422230618269
],
[
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0.49481227611940043
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[
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4.024077326683282,
4.190398857823988
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3.7634010996397946,
1.7712762646259814,
0.5787889309282619
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[
0.046621124592184114,
1.0598713354322589,
4.07263385996865
],
[
2.129150069694088,
3.972238441321834,
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],
[
1.996148392332374,
3.945981819186166,
2.3213594498271646
],
[
0.8810355055036597,
0.7207002363365059,
0.4610239223009087
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Re",
"Re",
"Re",
"Re",
"Nb",
"Nb",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
] | [
[
6.7271385,
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0.00992959
],
[
-0.13392493,
6.539853,
0.01905899
],
[
0.0099295,
0.01905881,
6.3405986
]
] | -108.699024 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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],
[
-0.01061171,
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],
[
0.00864268,
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[
0.00544733,
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[
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[
0.00217141,
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[
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[
0.00409676,
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[
-0.00148184,
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],
[
0.00007691,
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[
-0.0036775,
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],
[
-0.00004896,
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],
[
0.00007866,
-0.00000473,
0.00034847
],
[
0.00711207,
0.00048559,
0.00115409
]
] | 0.000001 | 7.100018 | pbe | true | 4390eddc2758c1bcb6c63713929aab33_9_Nb2Re4As8 |
[
"As",
"Np",
"Os"
] | 17 | A12B4C | As12NpOs4 | Np1 As12 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
7.02857376,
-0.00000502,
-2.48497935
],
[
-3.51428889,
6.08691523,
-2.48497232
],
[
-0.00000703,
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7.45491797
]
] | agm006012229 | [
[
0,
0,
0
],
[
4.768544334850411,
2.102159077014657,
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],
[
0.6905072565253199,
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[
5.124372895573984,
0.9061497267524228,
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[
1.7368506297394708,
1.1960025922841873,
4.9986323754069275
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[
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[
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[
2.950540947622889,
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[
0.5637368923771101,
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[
1.7774272102605295,
4.890903597715813,
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[
3.68162096352435,
3.9847447845520074,
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[
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2.456287438924249
],
[
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[
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[
3.51428688,
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],
[
1.7571389199999998,
3.043453095,
1.24248315
],
[
-0.000003515,
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3.727458985
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Np",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
"Os",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.7058823529411765,
0.058823529411764705,
0.23529411764705882
] | [
[
3.148472,
-0.00000571,
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],
[
-0.00000571,
3.1484609,
-0.00000326
],
[
-0.00000597,
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3.1484654
]
] | -118.079876 | [
3.77,
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-0.022,
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-0.022,
-0.022,
-0.022,
-0.022,
-0.022,
-0.127,
-0.127,
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-0.127
] | [
[
0,
0,
0
],
[
0.00106519,
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],
[
0.00136651,
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[
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[
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[
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[
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[
0.00025463,
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[
0.00217707,
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[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.972035 | 2.769626 | pbe | true | 77158ed40e75a7a1be05ccb9c9f66171_204_Np1As12Os4 |
[
"As",
"O",
"Ru"
] | 4 | A2BC | AsO2Ru | As1 Ru1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
1.70865367,
0,
6.59062545
],
[
-0.85432684,
1.47973749,
6.59062545
],
[
-0.85432684,
-1.47973749,
6.59062545
]
] | agm002776458 | [
[
-5.000000080634948e-9,
0,
9.885938175
],
[
0,
0,
0
],
[
-8.929468691258033e-9,
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17.65523490304076
],
[
-1.0705314124790896e-9,
1.1770241746905796e-17,
2.116641446959239
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"As",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
41.59841,
0,
0
],
[
0,
41.59841,
0
],
[
0,
0,
38.449425
]
] | -25.804205 | [
0.84,
-0.007,
0.029,
0.029
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.01491036
],
[
0,
0,
-0.01491036
]
] | 0.900055 | 1.704985 | pbe | true | 6a801bc85597a30a06c46674b6f4cac0_166_As1Ru1O2 |
[
"As",
"Pm",
"Tb"
] | 3 | ABC | AsPmTb | Tb1 Pm1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
6.61606083,
0,
0
],
[
0,
4.02327808,
0
],
[
0,
-2.01163904,
3.48426103
]
] | agm001270893 | [
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] | -0.000037 | 15.315411 | pbe | true | 3207a497be727238756fbc01603dd715_62_Dy8Y4Au4 |
[
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1,
1,
1
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[
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1,
1
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] | 0 | 1.94484 | pbe | true | b305979b3076d8cdf2c3c25f4e260697_187_Lu2Ga2Au2 |
[
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] | 0 | 2.749757 | pbe | true | a3944d296719f2837c215a58f0c19c53_74_Sr2Ge2Au6 |
[
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1,
1,
1
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] | 0 | 3.406732 | pbe | true | 4e54d1aee7abc0b705da7455e1f482e0_11_Tb2Ge2Au6 |
[
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1,
1,
1
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[
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1
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] | 0 | 9.561782 | pbe | true | 2eeaad333a7ab8aeb584efcb47087516_11_Hf2Pd12Au6 |
[
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1
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0.00070885,
-0.00106474
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[
0.00112638,
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0.000837
],
[
0.00581339,
0.00735101,
0.00383373
],
[
0.00188616,
0.00213343,
-0.00045927
],
[
0.0022525,
0.00074977,
0.00163834
]
] | 0 | 13.604421 | pbe | true | 2ec3e4c1c4a434997ef8aa4848a87683_8_Y8Ru1Au2 |
[
"B",
"Bi",
"Ni"
] | 5 | A3BC | BBi3Ni | Ni1 Bi3 B1 | 3 | [
1,
1,
1
] | 3 | [
[
4.95576252,
0,
0
],
[
0,
4.95576252,
0
],
[
0,
0,
4.95576252
]
] | agm002410301 | [
[
2.47788126,
2.47788126,
2.47788126
],
[
0,
0,
0
],
[
0,
2.47788126,
0
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[
0,
0,
2.47788126
],
[
2.47788126,
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"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"]}] | [
"Ni",
"B",
"Bi",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-2.035931,
0,
0
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[
0,
-2.035931,
0
],
[
0,
0,
-2.035931
]
] | -18.867534 | [
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0.001,
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.103927 | pbe | true | 8ac113397ef0f0091f8a34e10fd9e9a7_221_Ni1Bi3B1 |
[
"B",
"Br",
"F"
] | 4 | A2BC | BBr2F | B1 Br2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
2.35536372,
0,
6.88725202
],
[
-1.17768186,
2.03980481,
6.88725202
],
[
-1.17768186,
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6.88725202
]
] | agm002755085 | [
[
0,
0,
0
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[
3.153090435922081e-17,
1.0506111596679659e-16,
18.890162548379603
],
[
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5.4087837888086916e-18,
1.7715935116203985
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[
0,
0,
10.330878030000001
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"Br",
"Br",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.9155253,
0,
0
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[
0,
0.9155253,
0
],
[
0,
0,
0.96506125
]
] | -12.849588 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.01763794
],
[
0,
0,
-0.01763794
],
[
0,
0,
0
]
] | -0.000008 | 0 | pbe | true | 8f902f10ea47ce05fbdf910bab21eaab_166_B1Br2F1 |
[
"B",
"Br",
"Fe"
] | 5 | A2B2C | B2BrFe2 | Fe2 B2 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
3.76833506,
0,
0
],
[
0,
3.76833506,
0
],
[
1.88416753,
1.88416753,
3.72412431
]
] | agm002910409 | [
[
1.8841675488416756,
1.8841675488416756,
0.8921286887515245
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[
3.7683350411583247,
3.7683350411583247,
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[
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[
1.88416753,
3.76833506,
1.862062155
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[
0,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"B",
"Fe",
"Fe",
"Br"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
7.5503035,
0,
0
],
[
0,
7.5503035,
0
],
[
0,
0,
5.956475
]
] | -28.665661 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0.0344949
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[
0,
0,
-0.0344949
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00003 | 5.061156 | pbe | true | 866a704ce09f9f50d0af0c76fdc5bb9b_139_Fe2B2Br1 |
[
"B",
"Br",
"Ni"
] | 8 | A2BC | B2BrNi | Ni2 B4 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
4.94078351,
0,
0
],
[
0,
4.94078351,
0
],
[
2.47039175,
2.47039175,
4.97084448
]
] | agm002793630 | [
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2.470391755,
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0
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2.48542224
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[
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[
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[
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3.72813336
],
[
0,
0,
0
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[
4.940783507500001,
2.4703917525000003,
2.48542224
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"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"]}] | [
"Ni",
"Ni",
"B",
"B",
"B",
"B",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-4.4158616,
0,
0
],
[
0,
-4.4158616,
0
],
[
0,
0,
-1.3299011
]
] | -33.789899 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
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[
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[
0.00399102,
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[
0,
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[
0,
-0.00399102,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.997301 | pbe | true | 852b14aaefef67695a9422eee8f32fca_122_Ni2B4Br2 |
[
"B",
"Ca",
"Pd"
] | 5 | A3BC | BCa3Pd | Ca3 B1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
5.43419762,
0,
0
],
[
0,
5.43419762,
0
],
[
0,
0,
5.43419762
]
] | agm002412502 | [
[
0,
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0
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[
0,
0,
2.71709881
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[
2.71709881,
0,
0
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[
2.71709881,
2.71709881,
2.71709881
],
[
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0,
0
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] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"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"]}] | [
"Ca",
"Ca",
"Ca",
"B",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.8240221,
0,
0
],
[
0,
0.8240221,
0
],
[
0,
0,
0.8240221
]
] | -15.123916 | [
0.014,
0.006,
0.005,
0.308,
0.019
] | [
[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.077177 | 3.501388 | pbe | true | 26c2538c4b6db4ee0c563eb36ab6db0e_221_Ca3B1Pd1 |
[
"B",
"Cd",
"Cr"
] | 9 | A6B2C | B6CdCr2 | Cr2 Cd1 B6 | 3 | [
1,
1,
1
] | 3 | [
[
2.98167699,
0.00053813,
0.00041786
],
[
1.48766617,
5.28424717,
-0.49132844
],
[
1.48766618,
0.83277939,
5.24129281
]
] | agm002361707 | [
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4.146505771729229,
3.2198249348145285
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[
1.4903378494198734,
1.9710180632653562,
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[
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0.8348414253048126,
2.7253603095416707
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5.28273872916339,
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[
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3.2704291264351557,
4.616563518555804
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[
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1.7027374610535508
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[
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[
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2.8472166871828017,
0.13381393442310818
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[
5.956920083059736,
6.117521980793766,
4.750349065650453
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Cr",
"Cr",
"B",
"B",
"B",
"B",
"B",
"B",
"Cd"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
6.770299,
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[
-0.0126315,
6.8099885,
-0.30528417
],
[
-0.00980854,
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6.966077
]
] | -61.094958 | [
0.586,
0.586,
-0.013,
-0.013,
-0.012,
-0.001,
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0.01
] | [
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[
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[
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[
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[
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[
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0.00301238
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[
0.00004907,
0.00040694,
0.000316
]
] | 1.229441 | 5.070737 | pbe | true | 694c4ad41e5553e55d6c1a991feaecb7_71_Cr2Cd1B6 |
[
"B",
"Cd",
"Hg"
] | 8 | A2BC | B2CdHg | Cd2 Hg2 B4 | 3 | [
1,
1,
1
] | 3 | [
[
3.72869992,
0,
0
],
[
0,
3.72869992,
0
],
[
1.86434996,
1.86434996,
9.96605844
]
] | agm002795436 | [
[
3.7286998827130007,
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2.49151461
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[
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2.79652494,
2.49151461
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[
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"B",
"B",
"B",
"Hg",
"Hg",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.812292,
0,
0
],
[
0,
4.812292,
0
],
[
0,
0,
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]
] | -19.693097 | [
0,
0,
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0,
0,
0,
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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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.733488 | pbe | true | b2af56c0d5588803ab42107aeee1ab74_141_Cd2Hg2B4 |
[
"B",
"Cd",
"Mg"
] | 12 | ABC | BCdMg | Mg4 Cd4 B4 | 3 | [
1,
1,
1
] | 3 | [
[
6.28103,
0,
0.04343872
],
[
0,
3.10083842,
0
],
[
-6.09040766,
0,
11.20060804
]
] | agm002111041 | [
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0,
1.4663497691804173
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[
-2.4551692393344933,
1.55041921,
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]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"B",
"B",
"B",
"B",
"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.816251,
0,
0.01317697
],
[
0,
4.8776712,
0
],
[
0.01317903,
0,
5.122509
]
] | -34.882517 | [
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0,
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0,
0,
0,
0,
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] | [
[
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[
0.00470649,
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[
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[
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[
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[
0.00405092,
0,
-0.00008983
],
[
0.00405092,
0,
-0.00008983
]
] | -0 | 3.615263 | pbe | true | 635e5f0a0bb9bf13963de9ce52fefe63_8_Mg4Cd4B4 |
[
"B",
"Cd",
"Yb"
] | 12 | A4BC | BCd4Yb | Yb2 Cd8 B2 | 3 | [
1,
1,
1
] | 3 | [
[
5.88503782,
0,
0
],
[
-2.94251891,
5.09659225,
0
],
[
0,
0,
8.51174463
]
] | agm002255894 | [
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6.7371142239543795
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}] | [
"B",
"B",
"Yb",
"Yb",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
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0
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[
0,
6.148705,
0
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[
0,
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] | -21.22931 | [
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0,
0,
0,
0,
0,
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[
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[
0,
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[
0,
0,
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[
0,
0,
-0.00020292
]
] | -0.000001 | 5.607356 | pbe | true | 6569a76a39793f5b92518cf6ee80e5b8_191_Yb2Cd8B2 |
[
"B",
"Cd",
"V"
] | 4 | A2BC | BCd2V | V1 Cd2 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.21920121,
3.21920121
],
[
3.21920121,
0,
3.21920121
],
[
3.21920121,
3.21920121,
0
]
] | agm002639026 | [
[
1.609600605,
1.609600605,
1.609600605
],
[
4.828801815,
4.828801815,
4.828801815
],
[
0,
0,
0
],
[
3.21920121,
3.21920121,
3.21920121
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"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"]}] | [
"Cd",
"Cd",
"B",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
9.362256,
0,
0
],
[
0,
9.362256,
0
],
[
0,
0,
9.362256
]
] | -13.124495 | [
0.03,
0.03,
-0.057,
2.598
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.967277 | 2.588947 | pbe | true | 49b06758b94bb12c6868f7ffc7f61228_225_V1Cd2B1 |
[
"B",
"Ce",
"Ru"
] | 6 | A3B2C | B2CeRu3 | B2 Ce1 Ru3 | 3 | [
1,
1,
1
] | 3 | [
[
5.54895412,
0,
0
],
[
-2.77447706,
4.80553523,
0
],
[
0,
0,
3.01190033
]
] | mp-5940 | [
[
-2.7744770703108657e-8,
3.2036901693517845,
0
],
[
2.7744770877447706,
1.601845060648216,
0
],
[
2.77447706,
0,
1.505950165
],
[
1.38723853,
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1.505950165
],
[
-1.38723853,
2.402767615,
1.505950165
],
[
0,
0,
0
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"B",
"B",
"Ru",
"Ru",
"Ru",
"Ce"
] | 2011-05-13 09:04:23 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
-0.01447063,
0,
0
],
[
0,
-0.01447063,
0
],
[
0,
0,
-0.02033991
]
] | -50.158819 | [] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | null | 8.373341 | pbe | true | 192edb279b3024c20c9b6e4d0fd1fd7c_191_Ce1B2Ru3 |
[
"B",
"Cl",
"F"
] | 4 | A2BC | BCl2F | B1 Cl2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.9584263,
2.9584263
],
[
2.9584263,
0,
2.9584263
],
[
2.9584263,
2.9584263,
0
]
] | agm002642653 | [
[
0,
0,
0
],
[
2.9584263,
2.9584263,
2.9584263
],
[
1.47921315,
1.47921315,
1.47921315
],
[
4.437639450000001,
4.437639450000001,
4.437639450000001
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"B",
"F",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6863936,
0,
0
],
[
0,
1.6863936,
0
],
[
0,
0,
1.6863936
]
] | -8.44898 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.472504 | pbe | true | 2b7a7d3495e91e67b82f7257f0a65adc_225_B1Cl2F1 |