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⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
ReTlZr2
|
Zr2 Tl Re
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.8185569,
0,
0
],
[
2.40927845,
4.17299268,
0
],
[
2.40927845,
1.39099756,
3.93433523
]
] |
agm004274981
|
[
[
4.8185569,
2.78199512,
1.967167615
],
[
7.227835349999999,
4.17299268,
2.9507514224999998
],
[
0,
0,
0
],
[
2.40927845,
1.39099756,
0.9835838075
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Tl",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.5284834,
0,
0
],
[
0,
7.5284834,
0
],
[
0,
0,
7.5284834
]
] | -30.98229 | -30.98229 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
11.112,
11.467,
10.035,
10.165
] | 1.887269 |
pbe
| true |
91d700d163d6921850f7da6796f92961_216_Zr2Tl1Re1
| 216 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.05071816,
0,
0
],
[
0,
3.05071816,
0
],
[
0,
0,
8.21274609
]
] |
agm004274982
|
[
[
0,
0,
0.25431417074626106
],
[
1.52535908,
1.52535908,
1.698248801129528
],
[
0,
0,
3.939147572939247
],
[
1.52535908,
1.52535908,
6.427408672312424
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-0.08337605,
0,
0
],
[
0,
-0.08337605,
0
],
[
0,
0,
0.04693224
]
] | -35.219575 | -35.219574 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00751061
],
[
0,
0,
-0.00178671
],
[
0,
0,
-0.00137946
],
[
0,
0,
-0.00434444
]
] | -0.000432 |
[
11.361,
11.283,
11.354,
10.038
] | 3.639691 |
pbe
| true |
3510891d4e572b93bbe80eec8f808836_99_Zr1Tl1Re2
| 99 |
[
"Ir",
"P",
"Pb"
] | 3 |
ABC
|
IrPPb
|
P Ir Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.69720466,
-0.02112375,
-0.02007911
],
[
5.26417808,
4.14022044,
0.0200791
],
[
-6.03268089,
-1.90857941,
2.19487704
]
] |
agm004274983
|
[
[
11.539360157642871,
3.973766349864718,
-9.647179099903974e-9
],
[
-1.4522486708442726,
-0.331233077823883,
2.19487703617065
],
[
1.7702922132013983,
0.7785012879591651,
2.1948770334765295
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Ir",
"P",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.0028577,
-0.09428416,
-0.0401893
],
[
-0.09428416,
4.2441797,
0.11669995
],
[
-0.0401893,
0.11669995,
4.2609434
]
] | -17.909764 | -17.909763 |
[
0,
0,
0
] |
[
[
-0.00469302,
-0.00161612,
0
],
[
0.00697174,
0.00240083,
0
],
[
-0.00227872,
-0.00078471,
0
]
] | -0.000003 |
[
8.318,
2.391,
11.977
] | 1.441956 |
pbe
| true |
5b85198a34b926378e50417c82a5bb2a_44_P1Ir1Pb1
| 44 |
[
"Ir",
"P",
"Pb"
] | 3 |
ABC
|
IrPPb
|
P Ir Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.44789352,
0,
0
],
[
2.22394676,
3.85198878,
0
],
[
2.22394676,
1.28399626,
3.63168985
]
] |
agm004274984
|
[
[
4.44789352,
2.56799252,
1.815844925
],
[
2.22394676,
1.28399626,
0.9079224625
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Ir",
"P",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
3.9091492,
0,
0
],
[
0,
3.9091492,
0
],
[
0,
0,
3.9091492
]
] | -16.006881 | -16.006882 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
7.989,
2.358,
12.031
] | 3.56347 |
pbe
| true |
4d01897ed3f074677725b0888e263ae3_216_P1Ir1Pb1
| 216 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.10020366,
-0.21206488,
-0.12427331
],
[
8.63726661,
2.87337846,
-0.12427331
],
[
8.63726661,
1.29592747,
2.56755129
]
] |
agm004274985
|
[
[
0.0913243726785816,
0.0137022241424985,
0.0080297160002019
],
[
13.096044067321419,
1.9649183008575015,
1.1514726189997981
],
[
6.59368422,
0.9893102625,
0.5797511675
],
[
19.78105266,
2.9679307875000003,
1.7392535025
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
11.107856,
0.1310827,
0.0768165
],
[
0.1310827,
10.253866,
0.01152548
],
[
0.0768165,
0.01152548,
10.2409525
]
] | -33.023302 | -33.023304 |
[
0,
0,
0,
0
] |
[
[
-0.00852288,
-0.00127877,
-0.00074938
],
[
0.00852288,
0.00127877,
0.00074938
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
11.131,
11.131,
11.402,
10.299
] | 4.633727 |
pbe
| true |
8b4c02f36cc07e0c215e1ef5051173df_166_Zr1Tl1Re2
| 166 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.02257401,
0,
0
],
[
0,
3.03911037,
0.01336711
],
[
0,
3.00568575,
6.06151303
]
] |
agm004274986
|
[
[
0,
3.0428237127140294,
0.1424800819741412
],
[
2.011287005,
1.50630037102214,
1.270909423250675
],
[
0,
3.0216434876917893,
2.9871490057988495
],
[
2.011287005,
4.5355370393542485,
4.725148809243677
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
11.023991,
0,
0
],
[
0,
10.596092,
0.08296053
],
[
0,
0.08296033,
11.12177
]
] | -34.460009 | -34.46001 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00358403,
-0.035365
],
[
0,
0.00476201,
0.0321788
],
[
0,
0.00051147,
0.00935533
],
[
0,
-0.00168945,
-0.00616913
]
] | 0 |
[
11.226,
11.219,
11.445,
10.196
] | 1.972651 |
pbe
| true |
cf8ec93fa5329af874b5c04985e2f0e8_6_Zr1Tl1Re2
| 6 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.86932092,
0,
0
],
[
0,
2.86932092,
0
],
[
0,
0,
9.07997482
]
] |
agm004274987
|
[
[
0,
0,
9.03090209608531
],
[
0,
0,
4.589060133914691
],
[
1.43466046,
1.43466046,
2.269993705
],
[
1.43466046,
1.43466046,
6.809981115
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
10.616907,
0,
0
],
[
0,
10.616907,
0
],
[
0,
0,
9.832884
]
] | -32.639778 | -32.63978 |
[
0.003,
0.003,
0,
0.004
] |
[
[
0,
0,
-0.01860216
],
[
0,
0,
0.01860216
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.013297 |
[
11.103,
11.103,
11.437,
10.203
] | 7.139898 |
pbe
| true |
8b4c02f36cc07e0c215e1ef5051173df_123_Zr1Tl1Re2
| 123 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSeY2
|
Y2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.34355037,
-0.05083384,
0.02143731
],
[
3.83705166,
5.05175706,
-0.0214373
],
[
-4.81457766,
-3.06176,
2.77293042
]
] |
agm004274988
|
[
[
0.2729543330538604,
-0.562658591106608,
2.7729304249972797
],
[
2.5213964822102395,
2.4736514039782556,
1.3757465629567598
],
[
10.073965415842785,
4.948541099741342,
9.895255100626618e-9
],
[
2.954033523893116,
-0.4807458626129901,
1.3971838671507049
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.3145757,
-0.22904775,
0.15038143
],
[
-0.22904775,
3.668345,
-0.30613303
],
[
0.15038143,
-0.30613303,
3.6324234
]
] | -29.762992 | -29.762993 |
[
0,
0,
0,
0
] |
[
[
0.00511728,
0.00251371,
0
],
[
-0.0005936,
-0.00029159,
0
],
[
0.00180721,
0.00088774,
0
],
[
-0.00633088,
-0.00310986,
0
]
] | -0.000001 |
[
12.534,
3.831,
9.31,
9.158
] | 1.386792 |
pbe
| true |
93f70de99e1e0240ff1f71b2289b4d29_44_Y2Os1Se1
| 44 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
ReTl2Zr
|
Zr Tl2 Re
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.37988659,
0.02285248,
1e-8
],
[
1.89109538,
5.03661198,
1e-8
],
[
-3.63549202,
-2.52973295,
3.05407122
]
] |
agm004274989
|
[
[
2.6899427775,
0.01142588,
1.52703562
],
[
0,
0,
0
],
[
0.9455471725,
2.5183056299999995,
1.52703562
],
[
3.635490985,
2.52973223,
1e-8
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Tl",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.750667,
-0.05003054,
-0.00000232
],
[
-0.05003054,
6.787753,
-0.00000162
],
[
-0.00000232,
-0.00000162,
6.8225584
]
] | -23.442344 | -23.442345 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000048 |
[
11.048,
11.4,
11.376,
9.958
] | 3.210319 |
pbe
| true |
2ba823bd38a49b43cbb1e29d3ff7b4ff_119_Zr1Tl2Re1
| 119 |
[
"Br",
"Te",
"Zr"
] | 3 |
ABC
|
BrTeZr
|
Zr Te Br
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.04552538,
0,
0
],
[
2.52276269,
4.36955315,
0
],
[
2.52276269,
1.45651772,
4.11965422
]
] |
agm004274990
|
[
[
7.56828807,
4.3695531525,
3.089740665
],
[
5.04552538,
2.913035435,
2.05982711
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Te",
"Br",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.058361,
0,
0
],
[
0,
1.058361,
0
],
[
0,
0,
1.058361
]
] | -13.257343 | -13.257343 |
[
-0.083,
-0.045,
0.768
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.012872 |
[
3.407,
4.837,
9.695
] | 2.236236 |
pbe
| true |
1a1b9050666eca0897291d8f1b1b044b_216_Zr1Te1Br1
| 216 |
[
"Ag",
"Cd",
"Ni"
] | 4 |
A2BC
|
Ag2CdNi
|
Cd Ni Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.97310904,
-0.01068974,
0
],
[
0.00856278,
2.97311592,
0
],
[
0,
0,
7.58559931
]
] |
agm004274991
|
[
[
0,
0,
7.395641642350897
],
[
1.4908359100000002,
1.48121309,
1.8457108806547595
],
[
0,
0,
4.005847583524771
],
[
1.4908359100000002,
1.48121309,
5.716798168469573
]
] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Cd",
"Ni"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-2.1802056,
0.1969325,
0
],
[
0.1969325,
-2.1827562,
0
],
[
0,
0,
-2.4592996
]
] | -12.065518 | -12.065518 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00130767
],
[
0,
0,
0.00440646
],
[
0,
0,
0.00487029
],
[
0,
0,
-0.01058442
]
] | -0.000009 |
[
9.521,
9.489,
10.368,
14.47
] | 1.991047 |
pbe
| true |
5ed3766cb162d5d0e149e668929ab633_99_Cd1Ni1Ag2
| 35 |
[
"P",
"Ru",
"Ta"
] | 4 |
A2BC
|
PRuTa2
|
Ta2 P Ru
| 3 |
[
1,
1,
1
] | 3 |
[
[
0,
3.14316807,
3.14316807
],
[
3.14316807,
0,
3.14316807
],
[
3.14316807,
3.14316807,
0
]
] |
agm004274992
|
[
[
0,
0,
0
],
[
4.7147521050000005,
4.7147521050000005,
4.7147521050000005
],
[
3.14316807,
3.14316807,
3.14316807
],
[
1.571584035,
1.571584035,
1.571584035
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Ta",
"Ta",
"P",
"Ru"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.213012,
0,
0
],
[
0,
4.213012,
0
],
[
0,
0,
4.213012
]
] | -38.022413 | -38.02241 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00003 |
[
9.017,
9.099,
2.303,
12.739
] | 4.620965 |
pbe
| true |
74146b83ea65fa48ababdb75992dfc23_216_Ta2P1Ru1
| 216 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRuZr2
|
Zr2 Ru Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.23749141,
-0.00730031,
0.00273355
],
[
4.22400904,
3.09662998,
0.00273355
],
[
-0.00273155,
-0.00089189,
4.50239745
]
] |
agm004274993
|
[
[
4.413494021978897,
1.441075665328121,
2.8170118851828403
],
[
2.6596831203604157,
0.868428641424222,
0.5640704854796135
],
[
0.16734750277518898,
0.054641609263145,
0.5634705871183435
],
[
6.9476286102704945,
2.2685107230912154,
2.8172438671645317
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.6160374,
0.11291505,
0.01461252
],
[
0.11291523,
6.3061776,
0.00479635
],
[
0.01461238,
0.0047963,
6.067916
]
] | -36.115571 | -36.11557 |
[
0,
0,
0,
0
] |
[
[
-0.00826591,
-0.0027154,
-0.00268912
],
[
0.0064523,
0.00211384,
0.00149352
],
[
-0.00814224,
-0.00265145,
-0.00286432
],
[
0.00995584,
0.00325301,
0.00405992
]
] | -0.000001 |
[
13.482,
12.815,
10.017,
10.027
] | 3.291256 |
pbe
| true |
5e2b114ecec6c979854af2ac9a5cc980_38_Zr2Ru1Rh1
| 8 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRuZr2
|
Zr2 Ru Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.44260327,
0.00136942,
-0.01168089
],
[
3.25578551,
3.02267867,
-0.01168089
],
[
1.16391893,
0.45720564,
5.5273267
]
] |
agm004274994
|
[
[
6.646730782500001,
2.6109402974999996,
4.12797369
],
[
2.2155769275,
0.8703134325,
1.37599123
],
[
7.7003949526980655,
3.0248361461337896,
0.0016567790334615971
],
[
4.429147682301935,
1.7398388088662102,
2.7269639009665383
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.5997148,
0.00210576,
-0.08065052
],
[
0.00210576,
6.5951815,
-0.03168079
],
[
-0.08065012,
-0.03168064,
6.6845155
]
] | -34.985185 | -34.985184 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00409496,
0.00160857,
-0.00782161
],
[
-0.00409496,
-0.00160857,
0.00782161
]
] | 0.000002 |
[
13.421,
12.748,
10.085,
10.085
] | 3.631913 |
pbe
| true |
2a7919e00aba0dea7195cc45f04ea692_12_Zr2Ru1Rh1
| 12 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.31404827,
0,
0
],
[
0,
3.31404827,
0
],
[
0,
0,
5.83281263
]
] |
agm004274995
|
[
[
1.657024135,
1.657024135,
4.3746094725
],
[
0,
0,
5.721948068700959
],
[
0,
0,
3.027270876299042
],
[
1.657024135,
1.657024135,
1.4582031575
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.197948,
0,
0
],
[
0,
8.197948,
0
],
[
0,
0,
8.347905
]
] | -34.588681 | -34.58868 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00208513
],
[
0,
0,
-0.00208513
],
[
0,
0,
0
]
] | -0.000156 |
[
13.346,
12.677,
12.677,
10.125
] | 5.720412 |
pbe
| true |
0d5170bf6c52517229749f741ddef908_123_Zr1Ru2Rh1
| 123 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.11781322,
0,
0
],
[
0,
5.01616913,
0.00884471
],
[
0,
3.50605483,
4.61944629
]
] |
agm004274996
|
[
[
0,
0,
0
],
[
1.55890661,
2.508084565,
0.004422355
],
[
1.55890661,
4.26111198,
2.3141455
],
[
0,
1.753027415,
2.309723145
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
10.157407,
0,
0
],
[
0,
10.150754,
0.0958859
],
[
0,
0.09588601,
10.987743
]
] | -33.739527 | -33.739525 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 |
[
11.096,
11.144,
11.567,
10.201
] | 2.984916 |
pbe
| true |
cf8ec93fa5329af874b5c04985e2f0e8_10_Zr1Tl1Re2
| 10 |
[
"Re",
"Tl",
"Zr"
] | 4 |
A2BC
|
Re2TlZr
|
Zr Tl Re2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.50143453,
0,
0
],
[
0,
3.50673601,
0
],
[
0,
0,
6.06652434
]
] |
agm004274997
|
[
[
0,
0,
5.911543510003697
],
[
0,
0,
3.1882429999963025
],
[
1.750717265,
1.753368005,
1.516631085
],
[
1.750717265,
1.753368005,
4.549893255
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
10.438597,
0,
0
],
[
0,
10.01713,
0
],
[
0,
0,
10.678828
]
] | -33.68169 | -33.68169 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.01238745
],
[
0,
0,
-0.01238745
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 |
[
11.17,
11.17,
11.394,
10.263
] | 3.334793 |
pbe
| true |
4e8493d61187864c962d44011b21e309_123_Zr1Tl1Re2
| 47 |
[
"K",
"W",
"Y"
] | 4 |
A2BC
|
KW2Y
|
K Y W2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.86777103,
-0.13524305,
0
],
[
-1.00341456,
2.68989974,
0
],
[
0,
0,
11.50300703
]
] |
agm004274998
|
[
[
0.9321782350000001,
1.277328345,
8.6272552725
],
[
0,
0,
0.2500267151124631
],
[
0,
0,
5.501476799887537
],
[
0.9321782350000001,
1.277328345,
2.8757517575
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"K",
"W",
"W",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.5867913,
-0.11251363,
0
],
[
-0.11251363,
3.514729,
0
],
[
0,
0,
3.6045458
]
] | -28.802593 | -28.802593 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00195721
],
[
0,
0,
-0.00195721
],
[
0,
0,
0
]
] | 0.000001 |
[
7.661,
9.876,
9.876,
9.622
] | 3.135005 |
pbe
| true |
20dbfda4b6527530e2b7a4bd27dc7a26_65_K1Y1W2
| 65 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.38077045,
-0.00403847,
-0.00236711
],
[
8.96068819,
2.77577695,
-0.00236711
],
[
8.96068819,
1.35412809,
2.42307252
]
] |
agm004274999
|
[
[
20.34475877272801,
3.074474715038836,
1.802074747114278
],
[
27.261146923083924,
4.119670714913165,
2.414706657191507
],
[
7.024603758595707,
1.0615494083871782,
0.622217308313258
],
[
13.624857620592367,
2.05897158666082,
1.2068470373809568
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
7.808765,
-0.01338282,
-0.00784421
],
[
-0.01338282,
7.895301,
-0.00118541
],
[
-0.00784421,
-0.00118541,
7.8966284
]
] | -34.029609 | -34.02961 |
[
0,
0,
0,
0
] |
[
[
-0.00252073,
-0.00038093,
-0.00022328
],
[
0.0137612,
0.00207958,
0.00121892
],
[
-0.00718398,
-0.00108563,
-0.00063633
],
[
-0.00405649,
-0.00061301,
-0.00035931
]
] | -0.000064 |
[
13.306,
12.609,
12.63,
10.366
] | 6.78243 |
pbe
| true |
848c4f3a95cf25a396b6344187321b9e_160_Zr1Ru2Rh1
| 160 |
[
"Re",
"Tl",
"Zr"
] | 3 |
ABC
|
ReTlZr
|
Zr Tl Re
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.58709167,
0,
0
],
[
2.29354583,
3.97253791,
0
],
[
2.29354583,
1.3241793,
3.74534466
]
] |
agm004275000
|
[
[
4.587091665,
2.648358605,
1.87267233
],
[
2.2935458325,
1.3241793025,
0.936336165
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
7.144222,
0,
0
],
[
0,
7.144222,
0
],
[
0,
0,
7.144222
]
] | -20.171898 | -20.171898 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000078 |
[
11.054,
11.661,
9.891
] | 2.111403 |
pbe
| true |
22c066e94765f111555c24c5817dfc46_216_Zr1Tl1Re1
| 216 |
[
"Cr",
"Se",
"Zn"
] | 4 |
A2BC
|
CrSe2Zn
|
Zn Cr Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.60622323,
0,
0
],
[
0,
7.76041303,
0
],
[
0,
0,
3.55331741
]
] |
agm004275001
|
[
[
0,
3.880206515,
1.776658705
],
[
0,
0,
0
],
[
1.803111615,
3.880206515,
0
],
[
1.803111615,
0,
1.776658705
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cr",
"Se",
"Se",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.142831,
0,
0
],
[
0,
1.6522399,
0
],
[
0,
0,
2.3518963
]
] | -18.207988 | -18.207989 |
[
3.607,
0.008,
-0.099,
-0.004
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.903324 |
[
10.511,
3.841,
3.898,
10.662
] | 2.456267 |
pbe
| true |
7d727c47ff08a53300196dd74c495a1d_47_Zn1Cr1Se2
| 47 |
[
"Re",
"Tl",
"Zr"
] | 3 |
ABC
|
ReTlZr
|
Zr Tl Re
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.81997886,
0,
0
],
[
-2.40998943,
4.17422414,
0
],
[
0,
0,
2.92726411
]
] |
agm004275002
|
[
[
0,
0,
0.0606456234715661
],
[
-2.4099894341971758e-8,
2.7828161072474136,
0.7726206841066271
],
[
2.4099894540998945,
1.391408032752586,
2.0939978609670886
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Re",
"Tl",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
8.406551,
0,
0
],
[
0,
8.406551,
0
],
[
0,
0,
8.388507
]
] | -22.273872 | -22.273872 |
[
0,
0,
0
] |
[
[
0,
0,
-0.01159658
],
[
0,
0,
0.00569129
],
[
0,
0,
0.00590529
]
] | 0.000001 |
[
11.111,
11.44,
10.088
] | 0.997923 |
pbe
| true |
ec53d1eba0d15e23d777a34b829bca2e_156_Zr1Tl1Re1
| 156 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
Os2SeY
|
Y Os2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.8135629,
0,
0
],
[
0,
3.8135629,
0
],
[
0,
0,
4.99800188
]
] |
agm004275003
|
[
[
0,
0,
0
],
[
1.90678145,
1.90678145,
0
],
[
1.90678145,
0,
2.49900094
],
[
0,
1.90678145,
2.49900094
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Os",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.355505,
0,
0
],
[
0,
7.355505,
0
],
[
0,
0,
6.304956
]
] | -31.391014 | -31.391014 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000007 |
[
12.414,
12.414,
3.869,
9.396
] | 4.221423 |
pbe
| true |
524faab21c710caf0e28b83b6c518cd4_123_Y1Os2Se1
| 123 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
As2AuRe
|
Re As2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.89159349,
0.01655873,
-0.00768814
],
[
5.17066185,
4.55615973,
0.00768812
],
[
-5.83724285,
-2.79779684,
2.36502066
]
] |
agm004275004
|
[
[
3.9317977924325356,
-0.0999499727930988,
1.1786662543549156
],
[
11.30726418294044,
4.2865064785992635,
-1.8748175800693988e-8
],
[
2.297057129006023,
1.876328232258532,
1.1863543856387133
],
[
0.945033545621004,
-0.2266822680646965,
2.365020648754547
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.03769,
-0.07070034,
-0.02939877
],
[
-0.07070034,
5.1973867,
0.07756387
],
[
-0.02939877,
0.07756387,
5.2631354
]
] | -23.830414 | -23.830414 |
[
0,
0,
0,
0
] |
[
[
-0.00496356,
-0.00188165,
0
],
[
0.00552794,
0.0020956,
0
],
[
-0.00624872,
-0.00236885,
0
],
[
0.00568434,
0.0021549,
0
]
] | 0.00001 |
[
11.339,
2.718,
2.789,
9.579
] | 2.211894 |
pbe
| true |
e93744a21299b00b3d9fc4abcf9fc9b3_44_Re1As2Au1
| 44 |
[
"P",
"Rh",
"Te"
] | 3 |
ABC
|
PRhTe
|
Te P Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
0,
3.13878241,
3.13878241
],
[
3.13878241,
0,
3.13878241
],
[
3.13878241,
3.13878241,
0
]
] |
agm004275005
|
[
[
4.708173615,
4.708173615,
4.708173615
],
[
0,
0,
0
],
[
3.13878241,
3.13878241,
3.13878241
]
] |
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Te",
"P",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
3.9774635,
0,
0
],
[
0,
3.9774635,
0
],
[
0,
0,
3.9774635
]
] | -14.359105 | -14.359105 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
3.322,
2.36,
13.388
] | 0.45783 |
pbe
| true |
013e193553b4fa77f172ded860022ab1_216_Te1P1Rh1
| 216 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.83147936,
-0.00040354,
0.00350484
],
[
3.96842079,
2.75587181,
0.00350484
],
[
0.89285027,
0.27957369,
4.75691801
]
] |
agm004275006
|
[
[
2.4231876050000003,
0.7587604899999999,
1.1909819225
],
[
8.764214287429406,
2.7442941360701707,
0.1313966797148942
],
[
4.882061072570596,
1.528695113929829,
2.2575768452851057
],
[
7.2695628150000005,
2.27628147,
3.5729457675
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.198699,
0.01733843,
-0.15083893
],
[
0.01733843,
8.148756,
-0.04723143
],
[
-0.1508387,
-0.04723136,
8.138568
]
] | -35.139821 | -35.13982 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.00079584,
-0.0002492,
-0.00663026
],
[
0.00079584,
0.0002492,
0.00663026
],
[
0,
0,
0
]
] | -0.000001 |
[
13.387,
12.655,
12.655,
10.173
] | 3.694127 |
pbe
| true |
90f4fce2f8fb256bed322b5de68cc4a9_12_Zr1Ru2Rh1
| 12 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.38711564,
-0.0062212,
0.0084526
],
[
-2.71321363,
4.65397953,
0.0084526
],
[
0.63086826,
1.09657093,
2.5377673
]
] |
agm004275007
|
[
[
-1.0411726849999998,
2.8752752299999997,
1.27310995
],
[
0,
0,
0
],
[
1.3369510050000002,
2.323879165,
0.0084526
],
[
3.00899195,
0.545174865,
1.27310995
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.342936,
0.31664127,
0.22569457
],
[
0.31664127,
8.711153,
0.39230075
],
[
0.22569454,
0.3923007,
7.9625235
]
] | -34.611506 | -34.611507 |
[
0.001,
0.002,
0.002,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.003699 |
[
13.414,
12.627,
12.627,
10.229
] | 5.73874 |
pbe
| true |
90f4fce2f8fb256bed322b5de68cc4a9_12_Zr1Ru2Rh1
| 12 |
[
"As",
"Pb",
"Pt"
] | 4 |
A2BC
|
As2PbPt
|
As2 Pt Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.893018,
-0.00387253,
0.02032476
],
[
2.41002966,
5.3776791,
-0.02032482
],
[
-3.31612552,
-3.97766931,
2.81239172
]
] |
agm004275008
|
[
[
3.364208155,
-0.6473192775000001,
1.416358225
],
[
0.43678265245906606,
0.282689631995507,
-3.1563060000785373e-9
],
[
0.3986156575409341,
-1.573455656995507,
2.812391693156306
],
[
1.6227139849999999,
2.0434565375,
1.3960334349999999
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Pb",
"As",
"As",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
3.7333825,
0.06179841,
-0.04637381
],
[
0.06179841,
3.6778946,
0.07165811
],
[
-0.04637381,
0.07165811,
3.7298346
]
] | -19.009912 | -19.009912 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
-0.0001315,
-0.00008511,
0
],
[
0.0001315,
0.00008511,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
11.887,
2.646,
2.646,
8.793
] | 2.133273 |
pbe
| true |
163596f8862081130879614874caf11d_71_As2Pt1Pb1
| 71 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
As2AuRe
|
Re As2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.63776636,
-0.01347275,
0.01932083
],
[
3.62827705,
2.88871321,
0.01932083
],
[
0.82188988,
0.28588418,
5.15907652
]
] |
agm004275009
|
[
[
2.2719833225,
0.79028116,
1.299429545
],
[
8.06496215359625,
2.805296844258491,
0.2148415929566116
],
[
4.7450479014037485,
1.6505059357415097,
2.4226591570433884
],
[
6.8159499675,
2.37084348,
3.898288635
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.6907387,
0.0231717,
-0.2884745
],
[
0.0231717,
5.6321826,
-0.10034227
],
[
-0.28847456,
-0.10034229,
5.4937415
]
] | -23.619673 | -23.619673 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.0045202,
0.0015723,
-0.00012592
],
[
-0.0045202,
-0.0015723,
0.00012592
],
[
0,
0,
0
]
] | 0.000034 |
[
11.162,
2.726,
2.726,
9.639
] | 2.459559 |
pbe
| true |
e4ba97d5561fc51781fdc765977de2c9_12_Re1As2Au1
| 12 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
As2AuRe
|
Re As2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.64671682,
0.0797335,
-0.10287105
],
[
4.72020092,
3.10023734,
-0.10287105
],
[
0.69424312,
0.21295364,
4.20426129
]
] |
agm004275010
|
[
[
3.05844322353053,
0.9381535098778416,
0.965051554766516
],
[
9.933430601947368,
3.047002054721284,
0.010030569149453368
],
[
8.141135759525136,
2.497229645545593,
2.837460909661655
],
[
5.825649355212652,
1.7869723223146468,
1.9794937375650221
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.0216503,
0.00658067,
0.01985168
],
[
0.00658067,
5.0022154,
0.00608935
],
[
0.01985149,
0.00608929,
5.10745
]
] | -23.482481 | -23.482481 |
[
0,
0,
0,
0
] |
[
[
-0.00744552,
-0.00228386,
0.00021527
],
[
0.00813458,
0.00249522,
-0.00251377
],
[
-0.00038932,
-0.00011942,
0.00372294
],
[
-0.00029974,
-0.00009194,
-0.00142444
]
] | 0 |
[
11.227,
2.75,
2.742,
9.66
] | 0.93117 |
pbe
| true |
e93744a21299b00b3d9fc4abcf9fc9b3_8_Re1As2Au1
| 8 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.5087692,
0,
0
],
[
2.2543846,
3.90470867,
0
],
[
2.2543846,
1.30156956,
3.68139464
]
] |
agm004275011
|
[
[
4.5087692,
2.6031391150000003,
1.84069732
],
[
0,
0,
0
],
[
2.2543846,
1.3015695575000001,
0.92034866
],
[
6.7631537999999995,
3.9047086725,
2.76104598
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.14716,
0,
0
],
[
0,
8.14716,
0
],
[
0,
0,
8.14716
]
] | -34.637117 | -34.63712 |
[
0.545,
0.999,
1.447,
-0.061
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.956882 |
[
13.391,
12.699,
12.55,
10.089
] | 5.205326 |
pbe
| true |
af8c9140400e259ba521a98ccb21e762_216_Zr1Ru2Rh1
| 216 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRu2Zr
|
Zr Ru2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.71456493,
0.01567439,
0
],
[
-1.33683935,
4.52108712,
0
],
[
0,
0,
2.93842209
]
] |
agm004275012
|
[
[
-0.668419675,
2.26054356,
1.469211045
],
[
0,
0,
0
],
[
1.68886279,
2.268380755,
0
],
[
2.357282465,
0.007837195,
1.469211045
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.1122265,
0.02459306,
0
],
[
0.02459306,
8.126948,
0
],
[
0,
0,
8.509327
]
] | -35.125756 | -35.125755 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000017 |
[
13.294,
12.716,
12.716,
10.245
] | 2.799209 |
pbe
| true |
90f4fce2f8fb256bed322b5de68cc4a9_65_Zr1Ru2Rh1
| 65 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
Os2SeY
|
Y Os2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.94819017,
-0.02373504,
0
],
[
-1.27038716,
2.66054602,
0
],
[
0,
0,
9.08050686
]
] |
agm004275014
|
[
[
0,
0,
0.08267919542619179
],
[
0,
0,
4.457574234573808
],
[
0.838901505,
1.31840549,
2.270126715
],
[
0.838901505,
1.31840549,
6.810380145
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Os",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.3110027,
-0.2075523,
0
],
[
-0.2075523,
7.116882,
0
],
[
0,
0,
7.66246
]
] | -29.329534 | -29.329535 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00888112
],
[
0,
0,
-0.00888112
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000006 |
[
12.376,
12.376,
3.717,
9.669
] | 3.472321 |
pbe
| true |
849aa53c0737206c33c3157f7c0e3dea_65_Y1Os2Se1
| 65 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSe2Y
|
Y Os Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.00099458,
0,
0
],
[
0,
4.64312665,
0.01372519
],
[
0,
0.68969259,
4.59522666
]
] |
agm004275015
|
[
[
2.00049729,
3.9996144300000003,
3.4567138875
],
[
0,
5.097322041966656,
4.406989569589419
],
[
0,
2.901906818033344,
2.5064382054105807
],
[
2.00049729,
1.33320481,
1.1522379624999999
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.852144,
0,
0
],
[
0,
3.0250335,
0.4054198
],
[
0,
0.40541977,
2.7900643
]
] | -26.37091 | -26.370909 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.01469162,
0.00947496
],
[
0,
-0.01469162,
-0.00947496
],
[
0,
0,
0
]
] | 0 |
[
12.638,
3.878,
3.878,
8.993
] | 1.60636 |
pbe
| true |
1918ec41eac9165958278d41e382d00f_65_Y1Os1Se2
| 10 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
Rh2RuZr
|
Zr Ru Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.83708851,
0.01192309,
0.00054794
],
[
3.96708632,
2.7676332,
0.00054794
],
[
0.89931832,
0.28392279,
4.75436709
]
] |
agm004275016
|
[
[
0.9169949539388381,
0.2895034605390119,
4.736727770761904
],
[
7.284363003144049,
2.299738179496224,
3.467546013353535
],
[
4.844036897449937,
1.5293055261883548,
2.543791903467118
],
[
2.4091631114186094,
0.7605942188200742,
1.139495904950154
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Rh",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
9.569272,
-0.04541268,
-0.00206456
],
[
-0.04541268,
9.698778,
-0.0006518
],
[
-0.0020654,
-0.00065207,
9.524613
]
] | -33.755042 | -33.755043 |
[
0,
0,
0,
0
] |
[
[
-0.00147476,
-0.00046559,
-0.00618013
],
[
-0.0058624,
-0.00185081,
0.00675851
],
[
0.00798478,
0.00252087,
0.00465076
],
[
-0.00064762,
-0.00020446,
-0.00522914
]
] | 0.000014 |
[
13.343,
13.386,
12.608,
10.157
] | 3.23661 |
pbe
| true |
f35404646e1cc36b634e8f4f5a673fe3_8_Zr1Ru1Rh2
| 8 |
[
"Rh",
"Ru",
"Zr"
] | 4 |
A2BC
|
RhRuZr2
|
Zr2 Ru Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.52029121,
-0.01249159,
0
],
[
2.81325445,
4.74967057,
0
],
[
-4.16677346,
-2.36858985,
2.73889614
]
] |
agm004275017
|
[
[
4.16677283,
2.36858949,
0
],
[
2.7601452899999996,
-0.006245975000000126,
1.36944807
],
[
0,
0,
0
],
[
1.40662691,
2.374835105,
1.36944807
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.503121,
0.02850689,
-0.00000149
],
[
0.02850689,
6.469177,
-8.5e-7
],
[
-0.00000149,
-8.5e-7,
6.452966
]
] | -35.576175 | -35.576176 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 |
[
13.399,
12.724,
10.045,
10.081
] | 2.648868 |
pbe
| true |
f88af925d4d77cd886974a4287a2df4a_119_Zr2Ru1Rh1
| 119 |
[
"Rh",
"Ru",
"Zr"
] | 3 |
ABC
|
RhRuZr
|
Zr Ru Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.33201997,
0,
0
],
[
2.16600998,
3.75163934,
0
],
[
2.16600998,
1.25054645,
3.53707949
]
] |
agm004275018
|
[
[
0,
0,
0
],
[
4.332019965000001,
2.501092895,
1.768539745
],
[
6.498029947500001,
3.7516393425,
2.6528096175
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Ru",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
7.669512,
0,
0
],
[
0,
7.669512,
0
],
[
0,
0,
7.669512
]
] | -24.630717 | -24.630716 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
13.425,
12.739,
10.266
] | 3.955445 |
pbe
| true |
19a67680de5e692a9c73494a6cdc8597_216_Zr1Ru1Rh1
| 216 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.47656306,
0.02346418,
0.00124185
],
[
2.75860211,
4.73112696,
0.00163479
],
[
-4.11730892,
-2.37652027,
2.70944934
]
] |
agm004275019
|
[
[
1.3794378875,
2.36595113,
1.356261225
],
[
2.7384183625000005,
0.012119740000000156,
1.356064755
],
[
-1.3585757019230256,
2.3545784403314727,
2.711084072241555
],
[
4.1174514769230255,
2.3773238196685273,
0.001438377758445
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.0797367,
-0.31549457,
0.16355093
],
[
-0.3154949,
6.4446282,
0.15219143
],
[
0.16355084,
0.15219197,
6.526087
]
] | -20.78742 | -20.78742 |
[
1.724,
-0.031,
0.087,
0.087
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0010899,
-0.00015561,
-0.00000379
],
[
-0.0010899,
0.00015561,
0.00000379
]
] | 2.079617 |
[
10.975,
2.655,
9.715,
9.715
] | 3.882606 |
pbe
| true |
91a4b1f944128dcdff73dd2a9bc9eff9_139_Re1As1Au2
| 2 |
[
"P",
"Pt"
] | 4 |
AB
|
PPt
|
P2 Pt2
| 2 |
[
1,
1,
1
] | 3 |
[
[
6.74898046,
-1.93662807,
0.03339839
],
[
6.74898046,
1.93662807,
0.03339839
],
[
6.17690642,
0,
3.33859371
]
] |
agm004275020
|
[
[
14.833426104210602,
9.301413142420642e-17,
2.5674179813502387
],
[
4.841441235789396,
1.976709543333257e-17,
0.8379725086497614
],
[
17.28396762340953,
7.866580623478114e-17,
2.991565734959955
],
[
2.39089971659047,
6.359845007128939e-18,
0.413824755040045
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"P",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
3.6839778,
0,
-0.02831483
],
[
0,
3.8475685,
0
],
[
-0.02831483,
0,
3.8426678
]
] | -23.892202 | -23.892202 |
[
0,
0,
0,
0
] |
[
[
0.00670297,
0,
0.00116017
],
[
-0.00670297,
0,
-0.00116017
],
[
-0.00793163,
0,
-0.00137283
],
[
0.00793163,
0,
0.00137283
]
] | 0.000001 |
[
2.388,
2.388,
8.902,
8.902
] | 1.949475 |
pbe
| true |
ce48dff49e16648f8a06bd39fb081ba4_166_P2Pt2
| 166 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
Os2SeY
|
Y Os2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.753898,
0,
0
],
[
3.25220415,
4.74663147,
0
],
[
-4.50305376,
-2.37331715,
2.68276252
]
] |
agm004275021
|
[
[
0,
0,
0
],
[
4.503051075,
2.373315735,
0
],
[
1.6261007324999999,
2.3733150274999995,
1.34138126
],
[
2.8769476575000006,
-7.075000001410814e-7,
1.34138126
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Os",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.2120905,
-0.7500882,
-0.00000764
],
[
-0.7500882,
7.239952,
-0.00000403
],
[
-0.00000764,
-0.00000403,
7.6352506
]
] | -31.512214 | -31.512215 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000079 |
[
12.411,
12.411,
3.89,
9.402
] | 5.137767 |
pbe
| true |
524faab21c710caf0e28b83b6c518cd4_139_Y1Os2Se1
| 139 |
[
"P",
"Pt"
] | 3 |
A2B
|
PPt2
|
P Pt2
| 2 |
[
1,
1,
1
] | 3 |
[
[
2.25489878,
-3.90559925,
0
],
[
2.25489878,
3.90559925,
0
],
[
0,
0,
2.73454258
]
] |
agm004275023
|
[
[
0,
0,
0
],
[
2.25489878,
1.3018664427039952,
1.36727129
],
[
2.25489878,
-1.301866442703995,
1.36727129
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.6666666666666666
] |
[
[
6.4023523,
0,
0
],
[
0,
6.4023523,
0
],
[
0,
0,
5.820108
]
] | -16.096154 | -16.096155 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000032 |
[
2.243,
8.718,
8.718
] | 3.508358 |
pbe
| true |
fbc369380a46528539425b758e3b1a38_191_P1Pt2
| 191 |
[
"Ag",
"Pb",
"Ta"
] | 4 |
A2BC
|
Ag2PbTa
|
Ta Ag2 Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.05304721,
-0.01416625,
0.00973872
],
[
-3.21487924,
5.12875547,
0.00973872
],
[
0.66433746,
1.19718539,
2.62064093
]
] |
agm004275024
|
[
[
3.3586923349999998,
0.59150957,
1.315189825
],
[
0,
0,
0
],
[
1.4190839849999999,
2.55729461,
0.00973872
],
[
-1.27527089,
3.1629704299999997,
1.315189825
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pb",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.8910823,
0.11592469,
0.0199755
],
[
0.11592469,
6.035659,
0.03599733
],
[
0.01997553,
0.03599738,
6.064599
]
] | -19.515154 | -19.515154 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000015 |
[
12.173,
9.495,
9.495,
8.673
] | 2.735278 |
pbe
| true |
fa71f08bd36554fec4210e57da2c6830_12_Ta1Ag2Pb1
| 12 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.43231703,
0,
0
],
[
0,
3.91720521,
0
],
[
0,
0,
3.91720521
]
] |
agm004275025
|
[
[
2.216158515,
1.958602605,
0
],
[
2.216158515,
0,
1.958602605
],
[
0,
0,
0
],
[
0,
1.958602605,
1.958602605
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.4639454,
0,
0
],
[
0,
6.280192,
0
],
[
0,
0,
6.280192
]
] | -20.97759 | -20.97759 |
[
0.053,
-0.001,
0.001,
0.001
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.061145 |
[
11.026,
2.629,
9.728,
9.728
] | 3.926893 |
pbe
| true |
91a4b1f944128dcdff73dd2a9bc9eff9_123_Re1As1Au2
| 123 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.80425591,
-0.01054276,
0
],
[
0.00905895,
2.80433003,
0
],
[
0,
0,
8.91226683
]
] |
agm004275026
|
[
[
1.40665743,
1.396893635,
2.2280667075
],
[
1.40665743,
1.396893635,
6.6842001225
],
[
0,
0,
0.15429700615577038
],
[
0,
0,
4.30183640884423
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
7.329576,
0.18875296,
0
],
[
0.18875296,
7.3272977,
0
],
[
0,
0,
7.246005
]
] | -21.718647 | -21.718647 |
[
0.063,
0,
0.001,
0.001
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00088019
],
[
0,
0,
-0.00088019
]
] | 0.071386 |
[
11.055,
2.619,
9.702,
9.702
] | 2.822048 |
pbe
| true |
58bd762cda659f11610415fae914c773_123_Re1As1Au2
| 65 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.07033929,
0,
0
],
[
0,
3.07033929,
0
],
[
0,
0,
7.29662518
]
] |
agm004275027
|
[
[
0,
0,
3.818615383903689
],
[
1.535169645,
1.535169645,
5.1896561439645605
],
[
0,
0,
0.0020582320307744
],
[
1.535169645,
1.535169645,
1.9346080101009766
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
7.1650925,
0,
0
],
[
0,
7.1650925,
0
],
[
0,
0,
7.099468
]
] | -22.38949 | -22.38949 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00459131
],
[
0,
0,
0.00732832
],
[
0,
0,
0.00025672
],
[
0,
0,
-0.00299372
]
] | -0.000003 |
[
11.175,
2.794,
9.574,
9.644
] | 2.548958 |
pbe
| true |
ba1399ee5fd1855cb9c1bcd0637b8a04_99_Re1As1Au2
| 99 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTcTe2
|
Tc Te2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.95569283,
0.00132005,
0
],
[
-0.00286102,
4.95569395,
0
],
[
0,
0,
3.3672647
]
] |
agm004275028
|
[
[
2.477846415,
0.000660025,
1.68363235
],
[
0,
0,
0
],
[
2.476415905,
2.478507,
0
],
[
-0.00143051,
2.477846975,
1.68363235
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
1.4330384,
0.1270589,
0
],
[
0.1270589,
1.4332538,
0
],
[
0,
0,
1.8356266
]
] | -18.847883 | -18.847883 |
[
0,
0,
0,
0.017
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.018796 |
[
2.616,
3.319,
3.319,
11.2
] | 4.501423 |
pbe
| true |
c26e2dbfd7699da9c571cb0915a71cfe_123_Tc1Te2As1
| 65 |
[
"P",
"Pt"
] | 4 |
A3B
|
PPt3
|
P Pt3
| 2 |
[
1,
1,
1
] | 3 |
[
[
4.48780687,
0,
0
],
[
0,
4.48780687,
0
],
[
0,
0,
4.48780687
]
] |
agm004275029
|
[
[
0,
0,
0
],
[
2.243903435,
0,
0
],
[
0,
2.243903435,
0
],
[
0,
0,
2.243903435
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.75
] |
[
[
5.2102165,
0,
0
],
[
0,
5.2102165,
0
],
[
0,
0,
5.2102165
]
] | -21.894359 | -21.89436 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000053 |
[
2.535,
8.72,
8.72,
8.72
] | 5.082656 |
pbe
| true |
a5e152542d39efdac7d7a773c9f6ce8c_221_P1Pt3
| 221 |
[
"Os",
"Se",
"Y"
] | 3 |
ABC
|
OsSeY
|
Y Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.36484578,
0,
0
],
[
-2.18242289,
3.78006733,
0
],
[
0,
0,
3.53817576
]
] |
agm004275030
|
[
[
0,
0,
0.590084746546428
],
[
2.182422911824229,
1.260022430733109,
0.5889824632701576
],
[
-2.18242289895946e-8,
2.520044899266891,
2.359108514801657
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
5.3193507,
0,
0
],
[
0,
5.3193507,
0
],
[
0,
0,
3.5514565
]
] | -22.487237 | -22.487236 |
[
0,
0,
0
] |
[
[
0,
0,
-0.00305912
],
[
0,
0,
0.00510286
],
[
0,
0,
-0.00204374
]
] | 0.000001 |
[
12.595,
3.869,
9.173
] | 2.518854 |
pbe
| true |
d4842904551cfb5458c5d396e6206afa_187_Y1Os1Se1
| 156 |
[
"Br",
"Te",
"Zr"
] | 4 |
A2BC
|
Br2TeZr
|
Zr Te Br2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.11816598,
0,
0
],
[
0,
4.46675098,
0
],
[
0,
0,
4.46675098
]
] |
agm004275031
|
[
[
2.55908299,
2.23337549,
0
],
[
0,
0,
0
],
[
0,
2.23337549,
2.23337549
],
[
2.55908299,
0,
2.23337549
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Te",
"Br",
"Br",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.6021255,
0,
0
],
[
0,
0.78326833,
0
],
[
0,
0,
0.78326833
]
] | -15.044434 | -15.044434 |
[
0,
0,
0,
0.002
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001071 |
[
3.344,
4.842,
4.842,
9.551
] | 3.873317 |
pbe
| true |
2509d39e26d203a3408da5778d84c01d_123_Zr1Te1Br2
| 123 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSe2Y
|
Y Os Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.19462755,
0.03748077,
0.02252471
],
[
7.26500031,
3.79118663,
0.02252471
],
[
7.26500031,
1.79921988,
3.33712619
]
] |
agm004275032
|
[
[
16.709205936388766,
4.138132727401314,
2.486882001225778
],
[
0.7277980304600827,
0.1802434454545952,
0.10832039711337241
],
[
5.305725505719964,
1.3139940007569753,
0.789667283642995
],
[
11.344213009677468,
2.809460802665989,
1.6883937668396107
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.4289708,
-0.09814488,
-0.05898185
],
[
-0.09814488,
2.80096,
-0.0146072
],
[
-0.05898185,
-0.0146072,
2.8164878
]
] | -26.401865 | -26.401865 |
[
0,
0,
0,
0
] |
[
[
0.01040265,
0.00257628,
0.00154826
],
[
-0.00965634,
-0.00239145,
-0.00143718
],
[
-0.00335135,
-0.00082998,
-0.00049879
],
[
0.00260505,
0.00064516,
0.00038772
]
] | 0.000001 |
[
12.59,
3.838,
3.906,
9.095
] | 0.731187 |
pbe
| true |
30fb3e558144862f89dba5c58c810b1b_160_Y1Os1Se2
| 160 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
As2TcTe
|
Tc Te As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34176631,
0,
0
],
[
0,
4.573153,
0.01300179
],
[
0,
3.52765279,
4.96662004
]
] |
agm004275034
|
[
[
0,
0,
0
],
[
1.670883155,
2.2865765,
0.006500895
],
[
0,
1.763826395,
2.48331002
],
[
1.670883155,
4.0504028949999995,
2.4898109149999996
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"As",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
1.5516299,
0,
0
],
[
0,
1.2655277,
0.33186778
],
[
0,
0.33186784,
2.0849946
]
] | -20.48294 | -20.48294 |
[
0,
0,
0,
-0.002
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.001943 |
[
2.638,
2.649,
3.345,
11.266
] | 3.52877 |
pbe
| true |
e5365b4278d81c58539154e1d89ada70_10_Tc1Te1As2
| 10 |
[
"Ag",
"Pb",
"Ta"
] | 4 |
A2BC
|
Ag2PbTa
|
Ta Ag2 Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.3927884,
0.02226744,
0.01305206
],
[
9.93479879,
3.05128162,
0.01305206
],
[
9.93479879,
1.50215031,
2.65594321
]
] |
agm004275035
|
[
[
15.058769653120384,
2.2768992127817036,
1.3346050429707907
],
[
0.022927691490027404,
0.0034666871136931,
0.0020319995186279002
],
[
7.805291841521609,
1.180166989659041,
0.6917551761205782
],
[
22.50659008649184,
3.4030162112025564,
1.9946788032104767
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pb",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.610556,
-0.03844586,
-0.02253505
],
[
-0.03844586,
5.859013,
-0.00340732
],
[
-0.02253505,
-0.00340732,
5.8628287
]
] | -19.833146 | -19.833145 |
[
0,
0,
0,
0
] |
[
[
-0.00232295,
-0.00035123,
-0.00020587
],
[
-0.00304014,
-0.00045967,
-0.00026944
],
[
0.00576888,
0.00087226,
0.00051128
],
[
-0.00040579,
-0.00006136,
-0.00003596
]
] | 0.000277 |
[
12.132,
9.496,
9.46,
8.67
] | 2.789343 |
pbe
| true |
b8b01ed629c83cdfd232951cdfe9e0d5_160_Ta1Ag2Pb1
| 160 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSeY2
|
Y2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.5968658,
-0.00378122,
-0.00288278
],
[
4.4068915,
3.45025048,
-0.00288278
],
[
0.00322929,
0.00111255,
4.57113471
]
] |
agm004275036
|
[
[
4.698578725250517,
1.6187425060716405,
2.8544550648874982
],
[
2.8697300494997324,
0.9886721666096076,
0.5690317550175085
],
[
0.11214112036821981,
0.0386345766375434,
0.5721654208002728
],
[
7.3300300899513955,
2.525323500157026,
2.8524015299484113
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.5492885,
0.08357387,
-0.05337247
],
[
0.08357387,
3.3354988,
-0.01838775
],
[
-0.05337235,
-0.01838771,
3.658828
]
] | -30.822644 | -30.822643 |
[
0,
0,
0,
0
] |
[
[
-0.01310929,
-0.00451638,
0.00196615
],
[
0.00423777,
0.00145998,
0.00192612
],
[
0.00070099,
0.0002415,
-0.00495066
],
[
0.00817053,
0.00281489,
0.0010584
]
] | 0 |
[
12.519,
3.904,
9.206,
9.171
] | 0.707605 |
pbe
| true |
93f70de99e1e0240ff1f71b2289b4d29_38_Y2Os1Se1
| 8 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.38444277,
-0.05848235,
-0.03428422
],
[
8.94377388,
2.84255079,
-0.03428422
],
[
8.94377388,
1.35856527,
2.4971125
]
] |
agm004275037
|
[
[
6.817997632500001,
1.0356584275,
0.607136015
],
[
20.4539928975,
3.1069752825,
1.821408045
],
[
27.214169546557915,
4.133850663713407,
2.4233951580257505
],
[
13.693816248442085,
2.080099901286594,
1.2194209319742497
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.151654,
0.13968673,
0.08188882
],
[
0.13968673,
7.25328,
0.01243897
],
[
0.08188882,
0.01243897,
7.2393537
]
] | -21.75318 | -21.75318 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0017116,
0.00025999,
0.00015242
],
[
-0.0017116,
-0.00025999,
-0.00015242
]
] | 0.000039 |
[
11,
2.652,
9.691,
9.691
] | 4.481341 |
pbe
| true |
58bd762cda659f11610415fae914c773_166_Re1As1Au2
| 166 |
[
"Br",
"Te",
"Zr"
] | 4 |
A2BC
|
Br2TeZr
|
Zr Te Br2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.83042138,
0,
0
],
[
0,
7.4422422,
0.33429625
],
[
0,
5.07747044,
5.45170991
]
] |
agm004275038
|
[
[
1.91521069,
3.12992816,
1.44650154
],
[
0,
11.14569165059528,
5.150537267715948
],
[
0,
7.63387730940472,
3.5284719722840516
],
[
1.91521069,
9.38978448,
4.33950462
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Te",
"Br",
"Br",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.4414886,
0,
0
],
[
0,
0.6398334,
0.02068088
],
[
0,
0.02068094,
0.65591013
]
] | -19.00806 | -19.00806 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
-0.01185648,
-0.00486109
],
[
0,
0.01185648,
0.00486109
],
[
0,
0,
0
]
] | -0 |
[
3.423,
4.875,
4.875,
9.802
] | 1.188966 |
pbe
| true |
7fc5fe7ff34c52fccc2b7b95458d9045_65_Zr1Te1Br2
| 10 |
[
"Hg",
"Re",
"Se"
] | 4 |
A2BC
|
HgReSe2
|
Re Hg Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.05245296,
0,
0
],
[
0,
3.05245296,
0
],
[
0,
0,
9.64366512
]
] |
agm004275039
|
[
[
1.52622648,
1.52622648,
2.41091628
],
[
1.52622648,
1.52622648,
7.232748839999999
],
[
0,
0,
8.791300231140331
],
[
0,
0,
5.674197448859669
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Hg",
"Re",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.8641133,
0,
0
],
[
0,
4.8641133,
0
],
[
0,
0,
4.7567782
]
] | -19.517045 | -19.517044 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00349069
],
[
0,
0,
0.00349069
]
] | 0.000036 |
[
10.43,
11.161,
3.809,
3.809
] | 1.734254 |
pbe
| true |
fbb59caf7f750d5c0909c5bb09a08ac8_123_Re1Hg1Se2
| 123 |
[
"Ag",
"Pb",
"Ta"
] | 4 |
A2BC
|
Ag2PbTa
|
Ta Ag2 Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.49167357,
-0.00250273,
0
],
[
-2.40160172,
4.93870368,
0
],
[
0,
0,
2.98047005
]
] |
agm004275040
|
[
[
2.745836785,
-0.001251365,
1.490235025
],
[
0,
0,
0
],
[
1.5450359249999999,
2.468100475,
0
],
[
-1.20080086,
2.46935184,
1.490235025
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pb",
"Ag",
"Ag",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.351719,
-0.03507475,
0
],
[
-0.03507475,
6.317646,
0
],
[
0,
0,
6.1410885
]
] | -19.391727 | -19.391727 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
12.116,
9.511,
9.511,
8.629
] | 2.986078 |
pbe
| true |
fa71f08bd36554fec4210e57da2c6830_65_Ta1Ag2Pb1
| 65 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAu2Re
|
Re As Au2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.23474683,
0.05263008,
0
],
[
-2.19902658,
4.75075009,
0
],
[
0,
0,
2.73675277
]
] |
agm004275041
|
[
[
2.617373415,
0.02631504,
1.368376385
],
[
-1.09951329,
2.375375045,
1.368376385
],
[
0,
0,
0
],
[
1.517860125,
2.4016900850000003,
0
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"As",
"Au",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.902325,
-0.5463187,
0
],
[
-0.5463187,
6.383164,
0
],
[
0,
0,
7.584312
]
] | -21.498217 | -21.498217 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000198 |
[
11.019,
2.629,
9.716,
9.716
] | 2.810517 |
pbe
| true |
b3f64f792ea2622b921c159e2db842a3_65_Re1As1Au2
| 65 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSeY2
|
Y2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.07654487,
0,
0
],
[
0,
4.07654487,
0
],
[
0,
0,
5.8182765
]
] |
agm004275042
|
[
[
0,
0,
2.188373822694195
],
[
2.038272435,
2.038272435,
4.943395993827539
],
[
0,
0,
5.383487111869935
],
[
2.038272435,
2.038272435,
2.0304342634255645
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.1675117,
0,
0
],
[
0,
3.1675117,
0
],
[
0,
0,
3.0905216
]
] | -30.328946 | -30.328945 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00897719
],
[
0,
0,
0.00487448
],
[
0,
0,
-0.01269862
],
[
0,
0,
-0.00115305
]
] | 0.000009 |
[
12.619,
3.946,
9.18,
9.201
] | 0.58674 |
pbe
| true |
0ce0c96db37ebdfc98a071f3e71d49d2_99_Y2Os1Se1
| 99 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSeY2
|
Y2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.99864505,
0.01272329,
-0.05354815
],
[
-0.01397743,
4.9986417,
-0.05354815
],
[
0.03681034,
0.03700749,
3.4462653
]
] |
agm004275043
|
[
[
2.517727695,
0.024865389999999998,
1.6963585749999999
],
[
0.011416454999999999,
2.517824595,
1.6963585749999999
],
[
0,
0,
0
],
[
2.4923338100000003,
2.5056824950000003,
-0.05354815
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.2379558,
0.03829024,
0.00097813
],
[
0.03829024,
3.238365,
0.00098337
],
[
0.00097813,
0.00098337,
3.3692214
]
] | -30.233868 | -30.233868 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
12.483,
3.895,
9.173,
9.173
] | 2.444287 |
pbe
| true |
0ce0c96db37ebdfc98a071f3e71d49d2_123_Y2Os1Se1
| 65 |
[
"K",
"Mg",
"Re"
] | 4 |
A2BC
|
K2MgRe
|
K2 Mg Re
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.02021396,
-0.01286721,
-0.00208914
],
[
4.23808527,
2.69097511,
-0.00208914
],
[
0.26604135,
0.07695662,
9.7296406
]
] |
agm004275044
|
[
[
9.219038614140525,
2.6667511523936502,
0.8083164864279856
],
[
7.1639787578587955,
2.0722929355865074,
6.482248514473482
],
[
4.818721828890913,
1.393890677613489,
4.047544635681233
],
[
2.3430708964493556,
0.6777699136367874,
3.245905466120893
]
] |
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"K",
"Mg",
"Re"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
2.0148888,
-0.0164667,
-0.11286994
],
[
-0.0164667,
2.0670514,
-0.0326494
],
[
-0.11286995,
-0.0326494,
2.0780385
]
] | -12.275811 | -12.275811 |
[
0.002,
0.014,
-0.007,
0.591
] |
[
[
0.00358346,
0.00103657,
0.00453052
],
[
0.00270187,
0.00078156,
-0.00706713
],
[
-0.01359697,
-0.00393314,
0.00196191
],
[
0.00731164,
0.002115,
0.0005747
]
] | 0.852485 |
[
7.592,
7.597,
6.353,
11.059
] | 2.76026 |
pbe
| true |
0b7abff9c407bbf55ba5339631efae82_8_K2Mg1Re1
| 8 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
As2TcTe
|
Tc Te As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.73319296,
-0.00710525,
-0.00173954
],
[
3.57583402,
3.10106065,
-0.00173954
],
[
1.10345178,
0.41088212,
5.35399872
]
] |
agm004275045
|
[
[
1.2530033331257255,
0.466569246144984,
5.002110816539992
],
[
4.556687826874274,
1.696731633855016,
3.0271477234600077
],
[
2.35311969,
0.87620938,
1.33762991
],
[
7.05935907,
2.62862814,
4.0128897299999995
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"As",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
1.1981901,
-0.17946906,
0.00531405
],
[
-0.17946906,
1.6133392,
0.00197874
],
[
0.00531411,
0.00197877,
1.5112237
]
] | -21.759506 | -21.759506 |
[
0,
0,
0,
0
] |
[
[
0.00159853,
0.00059523,
-0.00387562
],
[
-0.00159853,
-0.00059523,
0.00387562
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
2.714,
2.714,
3.265,
11.308
] | 2.893125 |
pbe
| true |
e5365b4278d81c58539154e1d89ada70_12_Tc1Te1As2
| 12 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.82202841,
-0.0072125,
-0.02442714
],
[
-2.33461678,
4.99413214,
0.0132207
],
[
0.1527962,
0.80093394,
2.71258774
]
] |
agm004275046
|
[
[
0,
0,
0
],
[
2.487412305,
0.39686072,
1.3440803000000001
],
[
-1.09091029,
2.89753304,
1.36290422
],
[
1.2437058149999998,
2.49345982,
-0.00560322
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.737284,
-0.04748628,
-0.1608204
],
[
-0.04748648,
10.356181,
0.09026955
],
[
-0.16082108,
0.09026955,
10.635251
]
] | -29.840673 | -29.840673 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00001 |
[
11.165,
11.165,
2.674,
9.814
] | 2.9779 |
pbe
| true |
d58fe114d5f0ce1ab3f9d164399b91a9_12_Re2As1Au1
| 12 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.83747591,
0.00119318,
-0.02011937
],
[
3.94014528,
2.80649779,
-0.02011937
],
[
0.48289339,
0.15446274,
4.85115174
]
] |
agm004275047
|
[
[
8.737682003766652,
2.7949156531268327,
0.19513130567995698
],
[
2.398312912520962,
0.7671465154524767,
1.1343817910361922
],
[
4.71223388608768,
1.5072986459879836,
2.2075971140808757
],
[
6.820164257624705,
2.1815607204327065,
3.639020549202975
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.447234,
0.27817506,
-0.06775922
],
[
0.27817506,
10.666562,
-0.02167409
],
[
-0.06775908,
-0.02167405,
10.933341
]
] | -30.751649 | -30.751648 |
[
0,
0,
0,
0
] |
[
[
0.01576761,
0.00504357,
-0.03551863
],
[
-0.01356749,
-0.00433982,
0.02474784
],
[
0.00330296,
0.00105652,
0.01553487
],
[
-0.00550309,
-0.00176027,
-0.00476409
]
] | -0.000003 |
[
11.295,
11.217,
2.773,
9.741
] | 2.106449 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_8_Re2As1Au1
| 8 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.84759723,
0.01450423,
-1e-8
],
[
1.50002431,
4.60970024,
-1e-8
],
[
-3.17380789,
-2.31210014,
2.84263001
]
] |
agm004275048
|
[
[
0,
0,
0
],
[
0.750013595,
2.3048511674999994,
1.4213149950000001
],
[
3.17381077,
2.312102235,
-1e-8
],
[
2.4238000549999996,
0.0072531624999998545,
1.4213149950000001
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.107056,
0.04106401,
0.00001119
],
[
0.04106401,
11.080602,
0.00000815
],
[
0.00001119,
0.00000815,
11.050725
]
] | -30.088496 | -30.088497 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000006 |
[
11.178,
11.175,
2.694,
9.858
] | 3.269069 |
pbe
| true |
07090c6b90ef1e2edb1f888ce8e475ce_119_Re2As1Au1
| 119 |
[
"Os",
"Se",
"Y"
] | 3 |
ABC
|
OsSeY
|
Y Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.98774455,
-0.00163585,
0.00176742
],
[
5.11253212,
3.11606753,
0.00343065
],
[
0.87521222,
0.24236183,
3.10826939
]
] |
agm004275049
|
[
[
10.946408161895443,
3.0712122846453256,
0.051893614745484394
],
[
4.508950838458709,
1.263025433627057,
2.0055134957507814
],
[
7.620406661896492,
2.136987500448316,
1.0612583884730207
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.783304,
0.1125298,
-0.12158091
],
[
0.1125298,
4.55396,
0.09512646
],
[
-0.12158091,
0.09512646,
4.539228
]
] | -21.339469 | -21.339468 |
[
0,
0,
0
] |
[
[
0.00533316,
0.00149801,
-0.00161849
],
[
0.0033328,
0.00093613,
-0.00101143
],
[
-0.00866596,
-0.00243414,
0.00262992
]
] | 0.000299 |
[
12.421,
3.804,
9.263
] | 4.279488 |
pbe
| true |
d4842904551cfb5458c5d396e6206afa_107_Y1Os1Se1
| 42 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.77089317,
-0.00466748,
-0.00274498
],
[
8.29249669,
2.8571117,
-0.00274498
],
[
8.29249669,
1.38623594,
2.49828836
]
] |
agm004275050
|
[
[
25.1678259964005,
4.207242547442106,
2.4743097131149443
],
[
12.866003828599501,
2.1507776925578943,
1.264887886885056
],
[
6.3389716375,
1.0596700399999999,
0.6231996000000001
],
[
19.0169149125,
3.17901012,
1.8695988000000001
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
12.491093,
0.14257036,
0.08384666
],
[
0.14257036,
11.662066,
0.01401644
],
[
0.08384666,
0.01401644,
11.646477
]
] | -30.980928 | -30.980928 |
[
0,
0,
0,
0
] |
[
[
0.00471757,
0.00078862,
0.0004638
],
[
-0.00471757,
-0.00078862,
-0.0004638
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
11.214,
11.214,
2.861,
9.718
] | 2.816016 |
pbe
| true |
b2b18f9c32c5a29b967b1e778ad36541_166_Re2As1Au1
| 166 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.95972733,
0,
0
],
[
0,
3.79052346,
0
],
[
0,
0,
5.91098284
]
] |
agm004275051
|
[
[
0,
0,
0.22933129762507157
],
[
1.479863665,
1.89526173,
1.3636775137780173
],
[
0,
0,
2.7779004329191586
],
[
1.479863665,
1.89526173,
4.495564956567924
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.75999,
0,
0
],
[
0,
11.509805,
0
],
[
0,
0,
10.934513
]
] | -31.104537 | -31.104536 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.04576905
],
[
0,
0,
0.04518678
],
[
0,
0,
0.00327398
],
[
0,
0,
-0.0026917
]
] | -0.000185 |
[
11.282,
11.302,
2.714,
9.687
] | 2.54888 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_25_Re2As1Au1
| 25 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.40527081,
0.04791719,
0.00887155
],
[
2.65463781,
4.70873088,
-0.00887158
],
[
-3.5230987,
-3.23716413,
2.51552594
]
] |
agm004275052
|
[
[
4.377844584084999,
1.425668712814832,
2.515525910591689
],
[
2.834372130484482,
-0.4772788471882423,
1.2621987379529496
],
[
4.182682485629415,
2.4684583300761984,
-1.5568473599903325e-8
],
[
1.7086750304001919,
2.0004437668636927,
1.2533271720238346
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.953158,
0.06385837,
0.05718372
],
[
0.06385837,
10.882641,
-0.0968863
],
[
0.05718372,
-0.0968863,
10.756621
]
] | -30.434031 | -30.43403 |
[
0,
0,
0,
0
] |
[
[
0.01435994,
0.00847469,
0
],
[
-0.00835121,
-0.00492856,
0
],
[
-0.00727282,
-0.00429214,
0
],
[
0.00126408,
0.00074601,
0
]
] | 0.000097 |
[
11.096,
11.271,
2.785,
9.819
] | 3.207216 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_44_Re2As1Au1
| 44 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.86315763,
-0.00423893,
0
],
[
-1.32047903,
2.54047726,
0
],
[
0,
0,
8.89835536
]
] |
agm004275053
|
[
[
0,
0,
0.2281445771408256
],
[
0,
0,
4.221033102859175
],
[
0.7713393,
1.2681191649999999,
2.22458884
],
[
0.7713393,
1.2681191649999999,
6.67376652
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.225019,
0.10331444,
0
],
[
0.10331444,
11.332031,
0
],
[
0,
0,
11.552896
]
] | -29.914938 | -29.914938 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00896028
],
[
0,
0,
0.00896028
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 |
[
11.21,
11.21,
2.856,
9.67
] | 3.566463 |
pbe
| true |
b2b18f9c32c5a29b967b1e778ad36541_65_Re2As1Au1
| 65 |
[
"As",
"Ta",
"Y"
] | 3 |
ABC
|
AsTaY
|
Y Ta As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.55755599,
0,
0
],
[
2.278778,
3.94695927,
0
],
[
2.278778,
1.31565309,
3.72122888
]
] |
agm004275054
|
[
[
4.5575559949999995,
2.63130618,
1.86061444
],
[
2.2787779974999998,
1.31565309,
0.93030722
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"As",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.9102256,
0,
0
],
[
0,
2.9102256,
0
],
[
0,
0,
2.9102256
]
] | -23.249415 | -23.249414 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000014 |
[
9.374,
2.876,
8.756
] | 2.968492 |
pbe
| true |
82a4fe538059209d4a9fe7575a2a3e1c_216_Y1Ta1As1
| 216 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTc2Te
|
Tc2 Te As
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.18445744,
0,
0
],
[
0,
3.18445744,
0
],
[
0,
0,
6.40900994
]
] |
agm004275055
|
[
[
1.59222872,
1.59222872,
4.806757455
],
[
1.59222872,
1.59222872,
1.602252485
],
[
0,
0,
6.28276731308506
],
[
0,
0,
3.3307475969149394
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.8007216,
0,
0
],
[
0,
3.8007216,
0
],
[
0,
0,
2.9648528
]
] | -27.910461 | -27.910461 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00092873
],
[
0,
0,
0.00092873
]
] | -0.000016 |
[
2.76,
3.406,
11.409,
11.409
] | 4.084449 |
pbe
| true |
08ec8cdbf4cb549a6fd6c1a43da0a486_123_Tc2Te1As1
| 123 |
[
"As",
"Tc",
"Te"
] | 3 |
ABC
|
AsTcTe
|
Tc Te As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.38218751,
0,
0
],
[
-2.19109376,
3.79508571,
0
],
[
0,
0,
3.58900922
]
] |
agm004275056
|
[
[
0,
0,
0.5754514737684308
],
[
-2.5244270888978612e-8,
2.5300571526502855,
2.256806933363455
],
[
2.1910937752442705,
1.2650285573497142,
0.7567508128681137
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
1.7501642,
0,
0
],
[
0,
1.7501642,
0
],
[
0,
0,
2.0993414
]
] | -17.03721 | -17.03721 |
[
0,
0,
0
] |
[
[
0,
0,
-0.00211824
],
[
0,
0,
0.00305635
],
[
0,
0,
-0.00093811
]
] | 0.000001 |
[
2.763,
3.281,
11.336
] | 1.672093 |
pbe
| true |
470bd7d02a3d55b451c519e803b30a09_156_Tc1Te1As1
| 156 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.45470764,
0.00975849,
0.00538904
],
[
2.74978301,
4.71090481,
-0.00538903
],
[
-3.57576604,
-3.27535087,
2.49798592
]
] |
agm004275057
|
[
[
4.307475727476588,
1.260473678322675,
2.4979859296084475
],
[
4.423494207523412,
2.545170401677325,
5.391552500070419e-9
],
[
2.9905934625000006,
-0.4526303650000001,
1.2516874825
],
[
1.6381311475,
1.8979427949999998,
1.2462984475
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.871437,
-0.2137111,
0.12006068
],
[
-0.2137111,
11.119903,
-0.20866796
],
[
0.12006068,
-0.20866796,
11.040507
]
] | -30.780491 | -30.78049 |
[
0,
0,
0,
0
] |
[
[
0.00385287,
0.00221685,
0
],
[
-0.00385287,
-0.00221685,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000098 |
[
11.215,
11.215,
2.862,
9.724
] | 3.863656 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_71_Re2As1Au1
| 71 |
[
"Rh",
"Sb",
"Zn"
] | 4 |
A2BC
|
RhSbZn2
|
Zn2 Sb Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.78301816,
-0.0107286,
0
],
[
-1.8181333,
4.42399922,
0
],
[
0,
0,
3.22095634
]
] |
agm004275058
|
[
[
2.39150908,
-0.0053643,
1.61047817
],
[
-0.90906665,
2.21199961,
1.61047817
],
[
0,
0,
0
],
[
1.48244243,
2.20663531,
0
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Rh",
"Sb",
"Zn",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.868738,
0.11880382,
0
],
[
0.11880382,
5.9657655,
0
],
[
0,
0,
5.0983653
]
] | -14.155052 | -14.155052 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000005 |
[
13.341,
2.444,
10.738,
10.738
] | 1.651668 |
pbe
| true |
b640563c4a0a056f0281c1ba30993812_65_Zn2Sb1Rh1
| 65 |
[
"Co",
"Sc",
"W"
] | 4 |
A2BC
|
CoScW2
|
Sc Co W2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.44397634,
0,
0
],
[
2.22198817,
3.8485964,
0
],
[
2.22198817,
1.28286547,
3.62849149
]
] |
agm004275059
|
[
[
4.44397634,
2.565730935,
1.814245745
],
[
6.665964509999999,
3.8485964025,
2.7213686175
],
[
0,
0,
0
],
[
2.22198817,
1.2828654675,
0.9071228725
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Co",
"Sc",
"W",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.544473,
0,
0
],
[
0,
5.544473,
0
],
[
0,
0,
5.544473
]
] | -38.966292 | -38.966293 |
[
0.139,
-0.02,
-0.015,
-0.005
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.074312 |
[
8.181,
9.773,
10.267,
10.05
] | 2.036689 |
pbe
| true |
f1c6c9d2dd8bd958b45dbb969e4cc37c_216_Sc1Co1W2
| 216 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTcTe2
|
Tc Te2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.73958538,
-0.00648417,
-0.00139455
],
[
4.24684442,
5.23319841,
0.00139456
],
[
-5.01000078,
-3.62905404,
2.67430631
]
] |
agm004275060
|
[
[
4.5447759712110445,
2.1621441832121473,
4.136717799947145e-9
],
[
0.704368469331182,
0.3350981871162816,
6.411258999983319e-10
],
[
3.877127648658216,
-0.3846724258142593,
1.336455882741869
],
[
2.3433717209352602,
2.0984473232186875,
1.337850437480287
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
0.9772758,
-0.02295285,
0.00606969
],
[
-0.02295285,
1.0146024,
-0.01275542
],
[
0.00606969,
-0.01275542,
1.0136294
]
] | -20.405582 | -20.405582 |
[
0,
0,
0,
0
] |
[
[
-0.00599172,
-0.00285052,
0
],
[
0.00375656,
0.00178716,
0
],
[
-0.00023691,
-0.00011271,
0
],
[
0.00247207,
0.00117607,
0
]
] | 0.000024 |
[
2.659,
3.315,
3.309,
11.389
] | 3.143657 |
pbe
| true |
5ac5070dd95b9d2310364a5a798a1cec_44_Tc1Te2As1
| 44 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.92482263,
0,
0
],
[
0,
4.69677811,
0
],
[
0,
0,
4.74044334
]
] |
agm004275062
|
[
[
0,
0,
0
],
[
1.462411315,
2.348389055,
0
],
[
1.462411315,
0,
2.37022167
],
[
0,
2.348389055,
2.37022167
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
10.488709,
0,
0
],
[
0,
11.231643,
0
],
[
0,
0,
10.960293
]
] | -29.921828 | -29.921827 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 |
[
11.147,
11.155,
2.675,
9.82
] | 2.942234 |
pbe
| true |
d58fe114d5f0ce1ab3f9d164399b91a9_47_Re2As1Au1
| 47 |
[
"P",
"Pt"
] | 4 |
A3B
|
P3Pt
|
P3 Pt
| 2 |
[
1,
1,
1
] | 3 |
[
[
5.73059793,
-0.00201314,
-0.00500678
],
[
2.78253213,
5.00971773,
0.00500678
],
[
-3.93966573,
-3.04257993,
2.83928215
]
] |
agm004275063
|
[
[
1.3530705476970357,
0.09217194269114068,
2.824489018162083
],
[
-0.7379669659844851,
-1.1378454972477405,
2.8244890181120152
],
[
-0.4270395905130781,
0.7259719390875093,
1.6619468638477135
],
[
4.1421375084231835,
2.6983822628717897,
2.156677310567466
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.75,
0.25
] |
[
[
1.6630851,
-0.09803159,
-0.1161798
],
[
-0.09803159,
1.7720743,
0.19750859
],
[
-0.1161798,
0.19750859,
1.9314564
]
] | -22.490571 | -22.49057 |
[
0,
0,
0,
0
] |
[
[
-0.00322945,
0.00106615,
-0.00205119
],
[
0.00063722,
0.00334066,
-0.00205119
],
[
0.00337543,
-0.00573825,
0.00534186
],
[
-0.0007832,
0.00133145,
-0.00123947
]
] | 0 |
[
2.403,
2.403,
2.444,
8.917
] | 0.84837 |
pbe
| true |
af423a86468a0dedfb05f188252b5677_44_P3Pt1
| 44 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTcTe2
|
Tc Te2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.2483161,
-0.00004842,
0.00059343
],
[
5.22984793,
5.01864293,
-0.00059343
],
[
-5.96012812,
-3.20288371,
2.59932595
]
] |
agm004275064
|
[
[
3.7636349975000005,
-0.34681743749999994,
1.29995969
],
[
-4.921253707198378,
-2.785058666818091,
2.59932595
],
[
5.200207602198379,
2.0914722118180915,
-2.2084309273490144e-20
],
[
2.7544009124999995,
2.1625282375,
1.29936626
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
1.4535588,
0.13716283,
0.05019424
],
[
0.13716283,
1.1676846,
-0.12480199
],
[
0.05019424,
-0.12480199,
1.0352074
]
] | -20.441748 | -20.441748 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00951363,
0.00382629,
0
],
[
-0.00951363,
-0.00382629,
0
],
[
0,
0,
0
]
] | 0.000218 |
[
2.663,
3.318,
3.318,
11.379
] | 3.223509 |
pbe
| true |
ea6b66b354db222ef0c9a642d8ad1632_71_Tc1Te2As1
| 71 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.33408464,
0,
0
],
[
0,
2.93519763,
-0.00737724
],
[
0,
1.47619459,
5.09639132
]
] |
agm004275065
|
[
[
0,
0.1840335372178002,
0.2406388908756144
],
[
2.16704232,
1.6517169940601275,
1.2527184633567228
],
[
0,
1.6543708521609743,
2.4224713384490233
],
[
2.16704232,
3.1269140984137276,
3.7176926111466457
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.960669,
0,
0
],
[
0,
10.751858,
0.00101808
],
[
0,
0.00101897,
11.2417345
]
] | -31.027041 | -31.02704 |
[
0,
0,
0,
0
] |
[
[
0,
0.00107459,
-0.01489055
],
[
0,
-0.00211839,
0.01362961
],
[
0,
0.00065282,
0.01015409
],
[
0,
0.00039098,
-0.00889315
]
] | 0.000001 |
[
11.141,
11.306,
2.819,
9.736
] | 2.01109 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_38_Re2As1Au1
| 6 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTc2Te
|
Tc2 Te As
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.20326748,
0.53823246,
-0.19004445
],
[
3.82966886,
4.90956865,
0.19004417
],
[
-4.75438981,
-3.20655271,
2.43313203
]
] |
agm004275067
|
[
[
1.672418322921724,
2.0106751281285478,
1.3115880404224203
],
[
4.571241670837353,
2.482146263520096,
-1.275745828018089e-7
],
[
-4.280721340924541,
-2.9493546650654014,
2.4331320167808217
],
[
3.5776862371654636,
0.21512951841675765,
1.1215437103713404
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.3913488,
0.19911318,
-0.324835
],
[
0.19911318,
3.1327708,
0.5982378
],
[
-0.324835,
0.5982378,
3.4432333
]
] | -27.663563 | -27.663563 |
[
0,
0,
0,
0
] |
[
[
0.0036184,
0.00196476,
0
],
[
-0.00069992,
-0.00038005,
0
],
[
-0.0047587,
-0.00258393,
0
],
[
0.00184022,
0.00099922,
0
]
] | 0 |
[
2.814,
3.442,
11.511,
11.394
] | 3.558196 |
pbe
| true |
b3e37d7598e77ff80ae58426eed7b96c_44_Tc2Te1As1
| 44 |
[
"Hg",
"Re",
"Se"
] | 4 |
A2BC
|
HgReSe2
|
Re Hg Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.03741662,
0.25805192,
-0.01686188
],
[
8.95711798,
4.53846817,
0.01559372
],
[
-9.49295241,
-2.41593307,
2.20794312
]
] |
agm004275068
|
[
[
8.354187537634187,
2.109589390211545,
-0.0005396861675075997
],
[
3.440341465933481,
1.997663579305353,
1.1115374487528071
],
[
-7.611789354208153,
-1.9408153039119789,
2.207736914094858
],
[
5.323157240695138,
0.19647628142987983,
1.0952493233325236
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}]
|
[
"Hg",
"Re",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.48194,
0.06208237,
-0.0655476
],
[
0.06208243,
4.3689413,
0.14773808
],
[
-0.06554765,
0.14773807,
4.351238
]
] | -19.57224 | -19.57224 |
[
0,
0,
0,
0
] |
[
[
0.00113726,
0.00009327,
0.00018503
],
[
0.00570535,
0.00175569,
-0.00030104
],
[
-0.00514384,
-0.00040447,
-0.00085349
],
[
-0.00169876,
-0.00144449,
0.00096951
]
] | 0.000007 |
[
10.42,
11.232,
3.814,
3.828
] | 3.075854 |
pbe
| true |
fbb59caf7f750d5c0909c5bb09a08ac8_44_Re1Hg1Se2
| 8 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSe2Y
|
Y Os Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.10749628,
-0.01411522,
0.00587789
],
[
2.06758449,
3.54919981,
0.00587789
],
[
2.05161056,
1.17449749,
5.406969
]
] |
agm004275069
|
[
[
2.0566728325000003,
1.1773955200000001,
1.354681195
],
[
6.173935843769776,
3.534429147292572,
0.3151145842813002
],
[
4.114490591230225,
2.355446482707428,
2.4060035857187
],
[
6.170018497500001,
3.5321865600000004,
4.064043585
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Se",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.6528664,
-0.12560599,
-0.01109384
],
[
-0.12560599,
3.8003685,
-0.00635095
],
[
-0.01109382,
-0.00635094,
3.2377646
]
] | -26.73978 | -26.73978 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00064486,
0.00036916,
-0.00345234
],
[
-0.00064486,
-0.00036916,
0.00345234
],
[
0,
0,
0
]
] | 0.000005 |
[
12.506,
3.896,
3.896,
9.054
] | 1.622939 |
pbe
| true |
1918ec41eac9165958278d41e382d00f_166_Y1Os1Se2
| 12 |
[
"Mo",
"P",
"Tc"
] | 3 |
ABC
|
MoPTc
|
Tc Mo P
| 3 |
[
1,
1,
1
] | 3 |
[
[
0,
2.07130132,
4.8237128
],
[
2.07112223,
0,
4.8237128
],
[
2.07112223,
2.07130132,
0
]
] |
agm004275070
|
[
[
2.07112223,
2.07130132,
6.627139158077807
],
[
2.07112223,
2.07130132,
9.54087026661928
],
[
2.07112223,
2.07130132,
3.126841775302912
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Tc",
"Mo",
"P"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
4.4136376,
0,
-0.00195166
],
[
0,
4.176619,
0
],
[
-0.00197473,
0,
4.1661315
]
] | -27.537267 | -27.537268 |
[
0,
0,
0
] |
[
[
0.00004305,
0,
0.0025336
],
[
-0.00012085,
0,
-0.00023652
],
[
0.0000778,
0,
-0.00229708
]
] | 0 |
[
11.591,
10.695,
2.437
] | 1.861821 |
pbe
| true |
abfd649de0c6668ffbd42b7e9cb60350_107_Tc1Mo1P1
| 42 |
[
"Hg",
"Os",
"Se"
] | 4 |
A2BC
|
HgOs2Se
|
Hg Os2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.1004592,
-0.00645234,
-0.02156371
],
[
-2.58068228,
4.94911553,
0.00556699
],
[
-0.06090921,
0.81000534,
2.70703711
]
] |
agm004275071
|
[
[
1.2598884600000002,
2.471331595,
-0.00799836
],
[
0,
0,
0
],
[
2.519774995,
0.40177650000000004,
1.3427367
],
[
-1.320795745,
2.879560435,
1.35630205
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Hg",
"Os",
"Os",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.550546,
0.13587604,
0.45408452
],
[
0.135877,
9.215589,
-0.03523412
],
[
0.45408773,
-0.03523412,
9.108377
]
] | -21.613014 | -21.613014 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00021 |
[
10.673,
12.35,
12.35,
3.722
] | 4.970866 |
pbe
| true |
f4959695ab39ccd3e2a85b2f7895cb12_12_Hg1Os2Se1
| 12 |
[
"Hg",
"Os",
"Se"
] | 4 |
A2BC
|
HgOs2Se
|
Hg Os2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.87574366,
-0.01227051,
0
],
[
-1.44208502,
2.48806008,
0
],
[
0,
0,
9.41959252
]
] |
agm004275072
|
[
[
0.71682932,
1.237894785,
7.06469439
],
[
0,
0,
0.14688874897317922
],
[
0,
0,
4.562907511026821
],
[
0.71682932,
1.237894785,
2.35489813
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Hg",
"Os",
"Os",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
8.701737,
0.20990583,
0
],
[
0.20990583,
8.942675,
0
],
[
0,
0,
8.670931
]
] | -22.023139 | -22.023138 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.0084457
],
[
0,
0,
0.0084457
],
[
0,
0,
0
]
] | -0.000051 |
[
10.629,
12.384,
12.384,
3.767
] | 3.885904 |
pbe
| true |
8097a95d952b336a3f87324c9df22e33_65_Hg1Os2Se1
| 65 |
[
"Os",
"Se",
"Y"
] | 4 |
A2BC
|
OsSeY2
|
Y2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.06527986,
0.02053918,
-0.00876422
],
[
2.30121838,
3.35131559,
-0.00876422
],
[
1.79158204,
0.94886612,
7.12634325
]
] |
agm004275073
|
[
[
6.118560210000001,
3.2405406675,
5.3316111075
],
[
2.03952007,
1.0801802225000001,
1.7772037024999998
],
[
8.092625813369846,
4.2860545871281674,
6.969371628004716
],
[
4.144494606630155,
2.195026747871833,
3.6938505869952833
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Os",
"Se",
"Y",
"Y"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.1600342,
0.10296324,
0.05795832
],
[
0.10296324,
3.020158,
0.03069616
],
[
0.05795834,
0.03069617,
3.0014675
]
] | -30.452552 | -30.452553 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0013471,
-0.00071346,
0.00943315
],
[
0.0013471,
0.00071346,
-0.00943315
]
] | -0 |
[
12.664,
3.913,
9.166,
9.166
] | 1.449618 |
pbe
| true |
0ce0c96db37ebdfc98a071f3e71d49d2_12_Y2Os1Se1
| 12 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTc2Te
|
Tc2 Te As
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.95793615,
-0.00275512,
0
],
[
-1.34604693,
2.63392322,
0
],
[
0,
0,
10.05964752
]
] |
agm004275074
|
[
[
0.8059446100000001,
1.31558405,
8.175652388107402
],
[
0,
0,
4.531180411764802
],
[
0,
0,
0.1385322107697216
],
[
0.8059446100000001,
1.31558405,
2.2441062693580753
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.0161252,
0.0139022,
0
],
[
0.0139022,
3.0303018,
0
],
[
0,
0,
3.0198548
]
] | -26.637099 | -26.637098 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00338341
],
[
0,
0,
-0.00448786
],
[
0,
0,
-0.01090918
],
[
0,
0,
0.01201363
]
] | 0.000223 |
[
2.684,
3.4,
11.331,
11.315
] | 4.649642 |
pbe
| true |
dc459dd086124f98553cd4ca6f57e054_35_Tc2Te1As1
| 35 |
[
"Ca",
"Mo",
"Si"
] | 4 |
A2BC
|
CaMo2Si
|
Ca Si Mo2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.34395716,
0.01780981,
0
],
[
-2.43337568,
4.75782283,
0
],
[
0,
0,
2.70374546
]
] |
agm004275077
|
[
[
-1.21668784,
2.378911415,
1.35187273
],
[
0,
0,
0
],
[
1.4552907400000001,
2.38781632,
0
],
[
2.67197858,
0.008904905,
1.35187273
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Ca",
"Mo",
"Mo",
"Si"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.4083762,
0.18896236,
0
],
[
0.18896236,
3.6032565,
0
],
[
0,
0,
3.7108827
]
] | -26.71863 | -26.71863 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
8.474,
10.609,
10.609,
1.531
] | 2.8141 |
pbe
| true |
d8e7b5cc42d5bc17ab2c2e51c0d32505_65_Ca1Si1Mo2
| 65 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTc2Te
|
Tc2 Te As
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.59210334,
-0.00755395,
0.00860057
],
[
3.43000992,
3.05327728,
0.00860057
],
[
1.2253501,
0.46522372,
5.11194397
]
] |
agm004275078
|
[
[
6.995006030253821,
2.655765676289522,
4.650605837943191
],
[
4.576693756173728,
1.7376148265661717,
2.388121437641324
],
[
1.2407858142483992,
0.47108413549972844,
4.418486670235709
],
[
2.284428563001984,
0.8673197623736255,
1.3478621352782014
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Tc",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.5121808,
-0.03479236,
-0.07142782
],
[
-0.03479236,
3.5906107,
-0.02711871
],
[
-0.07142799,
-0.02711878,
3.3199239
]
] | -28.297846 | -28.297846 |
[
0,
0,
0,
0
] |
[
[
0.00187576,
0.00071216,
0.00230547
],
[
0.00322922,
0.00122603,
-0.00237155
],
[
-0.00084626,
-0.00032129,
-0.0035548
],
[
-0.00425872,
-0.00161689,
0.00362088
]
] | -0.000005 |
[
2.858,
3.411,
11.445,
11.436
] | 1.986323 |
pbe
| true |
b3e37d7598e77ff80ae58426eed7b96c_8_Tc2Te1As1
| 8 |
[
"Mg",
"Ru",
"Sc"
] | 4 |
A2BC
|
MgRuSc2
|
Mg Sc2 Ru
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.86216195,
0.00974213,
0.00644131
],
[
3.01364431,
5.02821892,
-0.00644132
],
[
-3.93949641,
-3.39706496,
2.70284975
]
] |
agm004275079
|
[
[
0.14398761029644147,
-1.079254854650666,
2.702849745399309
],
[
1.7230376934540843,
2.05634315646157,
1.348204212537166
],
[
0.39217874221097637,
0.22260301430879698,
-4.418514000405922e-10
],
[
3.175512524038499,
-0.436879661119701,
1.3546455275053761
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Mg",
"Ru",
"Sc",
"Sc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.6873243,
-0.01985255,
-0.04308761
],
[
-0.01985255,
3.711032,
0.07591288
],
[
-0.04308761,
0.07591288,
3.7870748
]
] | -24.454725 | -24.454725 |
[
0,
0,
0,
0
] |
[
[
0.00173393,
0.00098419,
0
],
[
-0.00101402,
-0.00057556,
0
],
[
0.00120574,
0.00068438,
0
],
[
-0.00192565,
-0.00109301,
0
]
] | -0.000007 |
[
6.351,
12.717,
9.53,
9.39
] | 3.560198 |
pbe
| true |
85f42de10a80c0934d360e6d8e913752_44_Mg1Sc2Ru1
| 44 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.79514738,
-0.01603296,
0
],
[
-1.30234364,
2.47325837,
0
],
[
0,
0,
9.89805609
]
] |
agm004275080
|
[
[
0,
0,
0.22807269109531533
],
[
0.74640187,
1.228612705,
2.3692070200695157
],
[
0,
0,
4.684517145117764
],
[
0.74640187,
1.228612705,
7.565287377697967
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.52059,
-0.05795903,
0
],
[
-0.05795903,
11.460398,
0
],
[
0,
0,
10.884636
]
] | -31.090735 | -31.090734 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.04486247
],
[
0,
0,
0.04163724
],
[
0,
0,
0.00167798
],
[
0,
0,
0.00154725
]
] | 0 |
[
11.233,
11.316,
2.693,
9.649
] | 2.589411 |
pbe
| true |
d267a1eaafe2cecf00dd22e7d4dc81dc_35_Re2As1Au1
| 35 |
[
"Mg",
"Ru",
"W"
] | 3 |
ABC
|
MgRuW
|
Mg Ru W
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.283122,
0,
0
],
[
2.141561,
3.70929246,
0
],
[
2.141561,
1.23643082,
3.49715447
]
] |
agm004275081
|
[
[
0,
0,
0
],
[
4.283122,
2.47286164,
1.748577235
],
[
6.424682999999999,
3.70929246,
2.6228658525
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Mg",
"Ru",
"W"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
3.350279,
0,
0
],
[
0,
3.350279,
0
],
[
0,
0,
3.350279
]
] | -21.306463 | -21.306463 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 |
[
6.382,
12.689,
10.148
] | 3.577186 |
pbe
| true |
114402cf0a29267761e979beffcfb89a_216_Mg1Ru1W1
| 216 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.88270745,
0,
0
],
[
0,
2.88270745,
0
],
[
0,
0,
8.3556067
]
] |
agm004275082
|
[
[
0,
0,
0.273507165685579
],
[
1.441353725,
1.441353725,
1.9675990711766826
],
[
0,
0,
3.754731994169359
],
[
1.441353725,
1.441353725,
6.537571735412311
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-0.07615207,
0,
0
],
[
0,
-0.07615207,
0
],
[
0,
0,
0.23703872
]
] | -31.87036 | -31.87036 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00287235
],
[
0,
0,
-0.0021234
],
[
0,
0,
0.00027245
],
[
0,
0,
-0.00102139
]
] | -0.000004 |
[
11.25,
11.418,
2.705,
9.613
] | 3.34963 |
pbe
| true |
5fd48cc1e7f6a18d03c5a6e53cd70060_99_Re2As1Au1
| 99 |
[
"P",
"Pt"
] | 2 |
AB
|
PPt
|
P Pt
| 2 |
[
1,
1,
1
] | 3 |
[
[
1.38400574,
-2.5006545,
0
],
[
1.38400574,
2.5006545,
0
],
[
0,
0,
4.39438071
]
] |
agm004275083
|
[
[
0,
0,
0
],
[
1.38400574,
0,
2.197190355
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
4.298525,
0,
0
],
[
0,
4.4534283,
0
],
[
0,
0,
3.8805947
]
] | -10.997282 | -10.997282 |
[
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
2.304,
8.746
] | 1.441857 |
pbe
| true |
6eafa59d5f61a6967fb54c569502ab8c_65_P1Pt1
| 65 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.46467715,
0.00063572,
0
],
[
-0.000403,
4.46467729,
0
],
[
0,
0,
3.10695534
]
] |
agm004275084
|
[
[
0,
0,
0
],
[
2.232137075,
2.232656505,
0
],
[
2.232338575,
0.00031786,
1.55347767
],
[
-0.0002015,
2.232338645,
1.55347767
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.875293,
-0.04120408,
0
],
[
-0.04120408,
11.875275,
0
],
[
0,
0,
11.341928
]
] | -30.292301 | -30.292301 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000013 |
[
11.174,
11.174,
2.741,
9.936
] | 3.690153 |
pbe
| true |
ab3871ff4c90c3a0a79557a01243c5c4_123_Re2As1Au1
| 65 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.04564276,
0,
0
],
[
0,
3.04564276,
0
],
[
0,
0,
6.69482975
]
] |
agm004275085
|
[
[
0,
0,
0.2355516263552725
],
[
0,
0,
3.1118631816964304
],
[
1.52282138,
1.52282138,
1.6737074375
],
[
1.52282138,
1.52282138,
5.0211223125
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.03427,
0,
0
],
[
0,
11.03427,
0
],
[
0,
0,
12.060053
]
] | -30.783201 | -30.783201 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00548243
],
[
0,
0,
0.00548243
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000029 |
[
11.217,
11.217,
2.901,
9.72
] | 3.70309 |
pbe
| true |
0811289bce802b0c6df23c53584a364f_123_Re2As1Au1
| 123 |
[
"As",
"Au",
"Re"
] | 4 |
A2BC
|
AsAuRe2
|
Re2 As Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.02370451,
0,
0
],
[
0,
2.9919159,
0.00364055
],
[
0,
1.57903817,
5.28537062
]
] |
agm004275086
|
[
[
0,
0.3655548609697314,
0.10502286399914089
],
[
0,
1.9199221898206502,
2.5394827738545653
],
[
2.011852255,
1.1427385175,
1.3222527925
],
[
2.011852255,
3.4282155524999998,
3.9667583775
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Re",
"Re",
"As",
"Au"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
11.771238,
0,
0
],
[
0,
10.616759,
0.01067106
],
[
0,
0.01066985,
11.745737
]
] | -30.64626 | -30.64626 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00282167,
-0.00667124
],
[
0,
0.00282167,
0.00667124
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000073 |
[
11.215,
11.215,
2.842,
9.771
] | 3.453896 |
pbe
| true |
9c87547d3767c02ebf83f62a1e3089cf_10_Re2As1Au1
| 10 |
[
"As",
"Tc",
"Te"
] | 4 |
A2BC
|
AsTcTe2
|
Tc Te2 As
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.12385491,
0,
0
],
[
0,
3.12385491,
0
],
[
0,
0,
9.87088704
]
] |
agm004275087
|
[
[
0,
0,
5.776588888809581
],
[
0,
0,
9.000585045051666
],
[
1.561927455,
1.561927455,
2.5874135698164094
],
[
1.561927455,
1.561927455,
7.312629997613471
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"As",
"Te",
"Te",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
1.2582167,
0,
0
],
[
0,
1.2582167,
0
],
[
0,
0,
0.97830915
]
] | -21.131843 | -21.131844 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00180866
],
[
0,
0,
-0.00747197
],
[
0,
0,
-0.00214617
],
[
0,
0,
0.00780949
]
] | -0.000004 |
[
2.672,
3.365,
3.26,
11.42
] | 2.124177 |
pbe
| true |
59e36fa444ff71806adc425ce9afd637_99_Tc1Te2As1
| 99 |
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