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2025-06-27 00:00:00
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⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.31531756,
0,
0
],
[
0,
2.91041462,
0.01392522
],
[
0,
-0.02171611,
4.56278527
]
] |
agm004275304
|
[
[
2.15765878,
1.800632769314775,
3.879936830528248
],
[
0,
0.3435288885026496,
4.2577841158736325
],
[
2.15765878,
0.35762801036450154,
1.2962650550432284
],
[
0,
1.8095419868180742,
1.9938650035548908
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-2.9142168,
0,
0
],
[
0,
-3.0920172,
0.00558571
],
[
0,
0.00558571,
-4.2819896
]
] | -21.03685 | -21.03685 |
[
2.916,
0.366,
0.378,
-0.026
] |
[
[
0,
0.00001427,
-0.00299861
],
[
0,
-0.00008935,
0.01877278
],
[
0,
0.00003407,
-0.00715773
],
[
0,
0.00004101,
-0.00861644
]
] | 3.543888 |
[
12.526,
14.503,
14.516,
11.452
] | 3.949379 |
pbe
| true |
1bf396b080f32b2c6406f85730a54caa_25_Tl1Fe1Ni2
| 6 |
[
"K",
"Mg",
"Rh"
] | 4 |
A2BC
|
K2MgRh
|
K2 Mg Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.23698435,
0.00340555,
0
],
[
-0.02542865,
3.23688626,
0
],
[
0,
0,
11.25371604
]
] |
agm004275305
|
[
[
0,
0,
10.739616356408135
],
[
0,
0,
6.140957703591867
],
[
1.6057778500000002,
1.620145905,
2.81342901
],
[
1.6057778500000002,
1.620145905,
8.44028703
]
] |
[{"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"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"K",
"K",
"Mg",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
3.011896,
0.05950412,
0
],
[
0.05950412,
3.012956,
0
],
[
0,
0,
3.3353615
]
] | -8.764529 | -8.764529 |
[
-0.003,
-0.003,
0.001,
0.456
] |
[
[
0,
0,
-0.0048317
],
[
0,
0,
0.0048317
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.453034 |
[
7.607,
7.607,
6.295,
13.29
] | 4.19527 |
pbe
| true |
be38b03e0f18fb108773b22a43680ec8_123_K2Mg1Rh1
| 65 |
[
"Os",
"P",
"Y"
] | 4 |
A2BC
|
Os2PY
|
Y P Os2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.99256601,
0,
0
],
[
0,
2.99256601,
0
],
[
0,
0,
7.26925727
]
] |
agm004275306
|
[
[
1.496283005,
1.496283005,
3.634628635
],
[
1.496283005,
1.496283005,
0
],
[
0,
0,
5.902148917999465
],
[
0,
0,
1.3671083520005352
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"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"]}]
|
[
"Y",
"P",
"Os",
"Os"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
4.155814,
0,
0
],
[
0,
4.155814,
0
],
[
0,
0,
5.199079
]
] | -34.243107 | -34.243107 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00640897
],
[
0,
0,
-0.00640897
]
] | 0.000084 |
[
9.383,
2.336,
12.598,
12.598
] | 4.332569 |
pbe
| true |
1b705d13549fe1a23612f66798d212e3_123_Y1P1Os2
| 123 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
CoMoPb2
|
Co Mo Pb2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.70562418,
0,
0
],
[
0,
4.70864314,
0
],
[
0,
0,
3.39828444
]
] |
agm004275307
|
[
[
2.35281209,
0,
1.69914222
],
[
0,
2.35432157,
1.69914222
],
[
0,
0,
0
],
[
2.35281209,
2.35432157,
0
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Mo",
"Pb",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.0795445,
0,
0
],
[
0,
6.7463675,
0
],
[
0,
0,
6.9679327
]
] | -22.421573 | -22.421572 |
[
0.521,
-0.171,
-0.01,
-0.01
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.261539 |
[
8.012,
10.521,
12.127,
12.127
] | 4.975244 |
pbe
| true |
de5bfd1f7b60dcc61c417c55c4a69850_123_Co1Mo1Pb2
| 47 |
[
"Os",
"P",
"Y"
] | 3 |
ABC
|
OsPY
|
Y P Os
| 3 |
[
1,
1,
1
] | 3 |
[
[
0,
3.05880138,
3.05880138
],
[
3.05880138,
0,
3.05880138
],
[
3.05880138,
3.05880138,
0
]
] |
agm004275308
|
[
[
0,
0,
0
],
[
1.52940069,
1.52940069,
1.52940069
],
[
3.05880138,
3.05880138,
3.05880138
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"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"]}]
|
[
"Y",
"P",
"Os"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
2.5222073,
0,
0
],
[
0,
2.5222073,
0
],
[
0,
0,
2.5222073
]
] | -23.561855 | -23.561855 |
[
0.007,
0.007,
0.251
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.308982 |
[
9.409,
2.471,
12.458
] | 4.930959 |
pbe
| true |
108ba5d814ed1b9a097b3f99d0c2ef97_216_Y1P1Os1
| 216 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
CoMoPb2
|
Co Mo Pb2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.10124985,
0,
0
],
[
0,
3.10124985,
0
],
[
0,
0,
9.06342396
]
] |
agm004275309
|
[
[
0,
0,
5.01294127272417
],
[
1.550624925,
1.550624925,
6.20346732698997
],
[
0,
0,
8.49986216148623
],
[
1.550624925,
1.550624925,
2.9422891387996284
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Mo",
"Pb",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.305504,
0,
0
],
[
0,
6.305504,
0
],
[
0,
0,
6.28818
]
] | -23.908007 | -23.908007 |
[
0.063,
-0.003,
0.001,
0.001
] |
[
[
0,
0,
-0.00920424
],
[
0,
0,
0.00782017
],
[
0,
0,
-0.00033371
],
[
0,
0,
0.00171778
]
] | 0.065462 |
[
8.26,
10.512,
12.053,
12.025
] | 3.787946 |
pbe
| true |
c4ddd31b80ecfad2d03198d46d338758_99_Co1Mo1Pb2
| 99 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.48787903,
-0.0643669,
-0.002844
],
[
1.01907645,
4.37111936,
0.00284388
],
[
-2.75141966,
-2.15601215,
2.84837631
]
] |
agm004275310
|
[
[
0.5105675403477741,
2.1842419353376226,
1.4256100649999939
],
[
2.7553594872855314,
2.1506024077862302,
2.8483761900038425
],
[
2.7536545683404627,
2.1535145198214907,
-6.000385319998347e-8
],
[
2.244967784026233,
-0.033502012945344495,
1.4227661250000168
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.3998394,
0.058897,
-0.08549631
],
[
0.058897,
-4.429089,
0.10933013
],
[
-0.08549687,
0.10933084,
-5.0655847
]
] | -21.307254 | -21.307255 |
[
2.903,
0.36,
0.36,
-0.035
] |
[
[
0,
0,
0
],
[
0.0017034,
0.00133216,
0
],
[
-0.0017034,
-0.00133216,
0
],
[
0,
0,
0
]
] | 3.53727 |
[
12.545,
14.511,
14.511,
11.484
] | 4.43359 |
pbe
| true |
ba0249da42bdb300682b50bc5d9d82b0_69_Tl1Fe1Ni2
| 12 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.85328677,
0.56549303,
0
],
[
-0.562762,
3.85368658,
0
],
[
0,
0,
3.71348842
]
] |
agm004275311
|
[
[
-0.281381,
1.92684329,
1.85674421
],
[
0,
0,
0
],
[
1.645262385,
2.2095898050000002,
0
],
[
1.926643385,
0.282746515,
1.85674421
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.864917,
-0.43447736,
0
],
[
-0.43447736,
-5.1249084,
0
],
[
0,
0,
-7.053146
]
] | -21.088574 | -21.088573 |
[
2.72,
0.348,
0.348,
-0.061
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.257699 |
[
12.568,
14.488,
14.488,
11.491
] | 5.484824 |
pbe
| true |
ba0249da42bdb300682b50bc5d9d82b0_123_Tl1Fe1Ni2
| 65 |
[
"Ba",
"Ir",
"Tc"
] | 4 |
A2BC
|
BaIr2Tc
|
Ba Tc Ir2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.240626,
0.00140325,
0
],
[
-1.8415551,
4.90640782,
0
],
[
0,
0,
2.93262015
]
] |
agm004275312
|
[
[
-0.92077755,
2.45320391,
1.466310075
],
[
0,
0,
0
],
[
1.69953545,
2.453905535,
0
],
[
2.620313,
0.000701625,
1.466310075
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ba",
"Ir",
"Ir",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.311841,
0.2123239,
0
],
[
0.2123239,
4.471357,
0
],
[
0,
0,
4.8471565
]
] | -26.450521 | -26.450521 |
[
0.011,
-0.004,
-0.004,
0.306
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.337248 |
[
8.525,
8.059,
8.059,
11.094
] | 4.742968 |
pbe
| true |
c91d6ff38bf10c75d637007daa6fb733_65_Ba1Tc1Ir2
| 65 |
[
"Mo",
"P",
"Tc"
] | 4 |
A2BC
|
Mo2PTc
|
Tc Mo2 P
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.4926047,
-4.06030646,
0
],
[
2.4926047,
4.06030646,
0
],
[
0,
0,
2.89910199
]
] |
agm004275313
|
[
[
2.4926047,
0,
1.449550995
],
[
1.24630235,
-2.03015323,
0
],
[
1.24630235,
2.03015323,
0
],
[
0,
0,
1.449550995
]
] |
[{"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",
"Mo",
"P"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
4.9506974,
0,
0
],
[
0,
4.5210896,
0
],
[
0,
0,
4.245132
]
] | -37.248614 | -37.248615 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 |
[
11.545,
10.799,
10.799,
2.371
] | 2.759312 |
pbe
| true |
f7d33a477b06099a2417e1ef066ac5a9_65_Tc1Mo2P1
| 65 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.8172243,
-0.00108162,
-0.01115993
],
[
1.29254176,
4.64058047,
0.01115994
],
[
-3.0458957,
-2.33158184,
2.91410729
]
] |
agm004275315
|
[
[
0.6507645449999999,
2.3143740274999995,
1.4626336175
],
[
3.062066268277804,
2.3065470587795716,
2.914107299997047
],
[
3.056687121722197,
2.321119376220428,
5.0029528000046744e-9
],
[
2.4131058150000007,
-0.006457017500000051,
1.4514736825
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-5.210969,
-0.05488632,
-0.09390219
],
[
-0.05488632,
-5.180367,
0.12365466
],
[
-0.09390219,
0.12365466,
-5.135925
]
] | -24.438181 | -24.43818 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00525772,
0.00399249,
0
],
[
-0.00525772,
-0.00399249,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
8.92,
14.52,
14.52,
13.388
] | 4.586005 |
pbe
| true |
17dc8bd3e1d77604f209a616b5d45612_139_La1Ni2Rh1
| 71 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.05219547,
0,
0
],
[
0,
3.05714938,
0
],
[
0,
0,
6.16354125
]
] |
agm004275317
|
[
[
1.526097735,
1.52857469,
4.622655937499999
],
[
0,
0,
5.868294125969663
],
[
0,
0,
3.3770177490303372
],
[
1.526097735,
1.52857469,
1.5408853125
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.127822,
0,
0
],
[
0,
-4.5935884,
0
],
[
0,
0,
-4.7346973
]
] | -21.50882 | -21.50882 |
[
2.981,
0.483,
0.483,
-0.007
] |
[
[
0,
0,
0
],
[
0,
0,
-0.01287798
],
[
0,
0,
0.01287798
],
[
0,
0,
0
]
] | 3.866401 |
[
12.589,
14.52,
14.52,
11.354
] | 3.418362 |
pbe
| true |
1c4f97a6bb90abe9c5d271a45bbd02ff_123_Tl1Fe1Ni2
| 47 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
CoMoPb2
|
Co Mo Pb2
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.78467705,
-0.00253142,
-0.00149582
],
[
8.18634719,
3.18657761,
-0.00149582
],
[
8.18634719,
1.53589478,
2.79200758
]
] |
agm004275319
|
[
[
18.868028572500002,
3.5399557275,
2.091761955
],
[
6.289342857499999,
1.1799852425,
0.697253985
],
[
0.1334588491412928,
0.025039098048211198,
0.0147956180010624
],
[
12.445226865858707,
2.3349313869517885,
1.3797123519989376
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Mo",
"Pb",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.332329,
0.00601158,
0.00355225
],
[
0.00601158,
6.301415,
0.00066646
],
[
0.00355225,
0.00066646,
6.300681
]
] | -22.260651 | -22.26065 |
[
1.172,
0.53,
-0.003,
-0.003
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00440583,
0.00082661,
0.00048844
],
[
-0.00440583,
-0.00082661,
-0.00048844
]
] | 1.7414 |
[
8.038,
10.38,
12.142,
12.142
] | 5.117037 |
pbe
| true |
aeed223e759462a27c9acadd0455eaa3_166_Co1Mo1Pb2
| 166 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
CoMoPb2
|
Co Mo Pb2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.15729766,
0.02615392,
0
],
[
-1.06221362,
2.97336758,
0
],
[
0,
0,
8.26879271
]
] |
agm004275320
|
[
[
1.0475420199999999,
1.49976075,
2.0671981775
],
[
1.0475420199999999,
1.49976075,
6.2015945325
],
[
0,
0,
0.16341664645529258
],
[
0,
0,
3.970979708544707
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Mo",
"Pb",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
7.2121983,
0.11863768,
0
],
[
0.11863768,
7.299186,
0
],
[
0,
0,
7.04347
]
] | -22.121731 | -22.12173 |
[
0.637,
-0.168,
-0.011,
-0.011
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01237665
],
[
0,
0,
0.01237665
]
] | 0.37779 |
[
8.1,
10.373,
12.134,
12.134
] | 3.795243 |
pbe
| true |
9a44ee51af251b58d58988a3027a59f3_65_Co1Mo1Pb2
| 65 |
[
"Hg",
"Se",
"Si"
] | 4 |
A2BC
|
HgSeSi2
|
Si2 Hg Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.8002134,
0,
0
],
[
0,
2.8002134,
0
],
[
0,
0,
10.12476773
]
] |
agm004275321
|
[
[
1.4001067,
1.4001067,
2.5311919325
],
[
1.4001067,
1.4001067,
7.5935757975
],
[
0,
0,
0.034594407627541304
],
[
0,
0,
5.027789457372459
]
] |
[{"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": "Si", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Hg",
"Se",
"Si",
"Si"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
2.759674,
0,
0
],
[
0,
2.759674,
0
],
[
0,
0,
2.436512
]
] | -12.154992 | -12.154992 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.000569
],
[
0,
0,
0.000569
]
] | 0 |
[
10.549,
3.677,
1.494,
1.494
] | 2.0374 |
pbe
| true |
d96a6064522ba34818b0fbcdb017dadf_123_Si2Hg1Se1
| 123 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.32458053,
0,
0
],
[
0,
4.36772858,
-0.58145987
],
[
0,
1.02308717,
4.06597474
]
] |
agm004275322
|
[
[
2.162290265,
4.043111812499999,
2.6133861525
],
[
0,
0.19348084753242628,
0.7468790896871561
],
[
0,
2.5019270274675733,
0.9953783453128437
],
[
2.162290265,
1.3477039375,
0.8711287175
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-1.4044007,
0,
0
],
[
0,
-6.4045053,
0.9338915
],
[
0,
0.9338911,
-3.4386687
]
] | -24.294933 | -24.294933 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
-0.01190874,
-0.04633991
],
[
0,
0.01190874,
0.04633991
],
[
0,
0,
0
]
] | 0.000004 |
[
8.563,
14.56,
14.56,
13.486
] | 4.47615 |
pbe
| true |
5db5246617a384e0b86ddf6d09eee31e_10_La1Ni2Rh1
| 10 |
[
"Ca",
"In",
"Se"
] | 4 |
A2BC
|
CaIn2Se
|
Ca In2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.29658017,
0,
0
],
[
2.64829008,
4.58697298,
0
],
[
2.64829008,
1.52899099,
4.3246396
]
] |
agm004275323
|
[
[
5.296580165000001,
3.0579819849999996,
2.1623198
],
[
7.944870247500001,
4.5869729775,
3.2434797
],
[
0,
0,
0
],
[
2.6482900825000004,
1.5289909924999998,
1.0811599
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}]
|
[
"Ca",
"Se",
"In",
"In"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.9546378,
0,
0
],
[
0,
2.9546378,
0
],
[
0,
0,
2.9546378
]
] | -12.674373 | -12.674374 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
8.126,
3.757,
11.305,
11.395
] | 4.30887 |
pbe
| true |
fc961487790042f7f522f4774b82e7a8_216_Ca1In2Se1
| 216 |
[
"Ba",
"Ir",
"Tc"
] | 3 |
ABC
|
BaIrTc
|
Ba Tc Ir
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.15533013,
0,
0
],
[
-2.07766506,
3.59862145,
0
],
[
0,
0,
5.36212472
]
] |
agm004275324
|
[
[
0,
0,
0.0169292465447368
],
[
2.0776650874433176,
1.1995404713379285,
2.5002688877256927
],
[
-1.744331741051725e-8,
2.3990809786620715,
2.8449265857295702
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ba",
"Ir",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
3.003943,
0,
0
],
[
0,
3.003943,
0
],
[
0,
0,
2.7921271
]
] | -20.482462 | -20.482462 |
[
0,
0,
0
] |
[
[
0,
0,
-0.00114873
],
[
0,
0,
-0.00111609
],
[
0,
0,
0.00226482
]
] | -0.000003 |
[
7.958,
8.319,
11.435
] | 1.702446 |
pbe
| true |
d7319a535252d5f5654c70dd9f8d2cf1_156_Ba1Tc1Ir1
| 156 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.1066466,
-0.01983625,
0
],
[
-2.34867558,
4.5345293,
0
],
[
0,
0,
2.86660492
]
] |
agm004275325
|
[
[
0,
0,
0
],
[
1.3789855100000001,
2.257346525,
0
],
[
2.5533233,
-0.009918125,
1.43330246
],
[
-1.17433779,
2.26726465,
1.43330246
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.3286757,
-0.0717187,
0
],
[
-0.0717187,
7.255087,
0
],
[
0,
0,
7.4279547
]
] | -16.335889 | -16.33589 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000004 |
[
9.537,
9.537,
2.311,
8.644
] | 2.158119 |
pbe
| true |
ca1deccb4466197da8f7c22dc3dba1cf_65_Ag2P1Pt1
| 65 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
CoMoPb2
|
Co Mo Pb2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.14364286,
0,
0
],
[
0,
3.83951711,
-0.00553692
],
[
0,
1.92360036,
5.13538593
]
] |
agm004275326
|
[
[
0,
3.6023271343150864,
2.589872468073833
],
[
2.07182143,
3.6014560169552547,
3.8416467361124105
],
[
0,
5.523677797802062,
4.740910196595347
],
[
2.07182143,
1.6803327259275977,
1.6521931242184096
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Mo",
"Pb",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.4542704,
0,
0
],
[
0,
5.943898,
0.00908148
],
[
0,
0.00908108,
6.044667
]
] | -23.344463 | -23.344463 |
[
1.016,
0.128,
-0.004,
-0.01
] |
[
[
0,
-0.00022081,
-0.00397881
],
[
0,
-0.00043591,
0.00773029
],
[
0,
0.00087952,
-0.00492845
],
[
0,
-0.00022279,
0.00117697
]
] | 1.152502 |
[
8.19,
10.591,
12.063,
12.056
] | 3.776993 |
pbe
| true |
18e8ff7cd14cb3b8b42d91335d69c161_38_Co1Mo1Pb2
| 6 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.29256645,
0,
0
],
[
2.14628323,
3.71747159,
0
],
[
2.14628323,
1.2391572,
3.50486583
]
] |
agm004275329
|
[
[
4.292566454999999,
2.478314395,
1.752432915
],
[
0,
0,
0
],
[
2.1462832274999997,
1.2391571975,
0.8762164575
],
[
6.438849682499999,
3.7174715925,
2.6286493725
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.7860126,
0,
0
],
[
0,
-4.7860126,
0
],
[
0,
0,
-4.7860126
]
] | -20.99 | -20.99 |
[
2.588,
0.101,
0.398,
-0.056
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.916806 |
[
12.634,
14.514,
14.462,
11.498
] | 2.739366 |
pbe
| true |
ba0249da42bdb300682b50bc5d9d82b0_216_Tl1Fe1Ni2
| 216 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
FeNi2Tl
|
Tl Fe Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.01127227,
-0.15687391,
-0.09231151
],
[
7.51066996,
2.79194013,
-0.09231151
],
[
7.51066996,
1.275041,
2.48550227
]
] |
agm004275330
|
[
[
17.2744591425,
2.932580415,
1.7256594375
],
[
0.24374768567535682,
0.0413795698792384,
0.02434956085656
],
[
11.272558409324644,
1.9136740401207617,
1.12609006414344
],
[
5.7581530475000005,
0.9775268050000001,
0.5752198125
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.9223385,
-0.10086572,
-0.05935383
],
[
-0.10086572,
-4.345309,
-0.01007614
],
[
-0.05935383,
-0.01007614,
-4.3341146
]
] | -20.643028 | -20.643028 |
[
2.989,
0.46,
0.46,
-0.034
] |
[
[
0,
0,
0
],
[
0.00592358,
0.00100561,
0.00059175
],
[
-0.00592358,
-0.00100561,
-0.00059175
],
[
0,
0,
0
]
] | 3.79304 |
[
12.579,
14.481,
14.481,
11.409
] | 2.468534 |
pbe
| true |
d1662b9851b06e9d89a0cf8a68862683_166_Tl1Fe1Ni2
| 166 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.89216589,
0.01262242,
0
],
[
1.88632273,
4.51389333,
0
],
[
-3.38924543,
-2.26325863,
2.70631158
]
] |
agm004275331
|
[
[
0,
0,
0
],
[
0.9431608050000002,
2.2569462875,
1.35315579
],
[
3.38924431,
2.263257875,
0
],
[
2.446082385,
0.006310832499999863,
1.35315579
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.013919,
0.24628136,
-0.00000234
],
[
0.24628136,
5.8095717,
-0.00000156
],
[
-0.00000234,
-0.00000156,
5.6451025
]
] | -26.532891 | -26.53289 |
[
0.873,
-0.245,
0.219,
-0.002
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.844724 |
[
8.154,
8.188,
10.561,
12.284
] | 4.206418 |
pbe
| true |
7538ae25ec5665f7bb2d0172b8ee9ed1_119_Co2Mo1Pb1
| 119 |
[
"Fe",
"Ni",
"Tl"
] | 3 |
ABC
|
FeNiTl
|
Tl Fe Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.19246321,
0,
0
],
[
2.0962316,
3.63077964,
0
],
[
2.0962316,
1.21025988,
3.42313188
]
] |
agm004275332
|
[
[
4.192463204999999,
2.42051976,
1.71156594
],
[
6.288694807499999,
3.63077964,
2.56734891
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-1.9370304,
0,
0
],
[
0,
-1.9370304,
0
],
[
0,
0,
-1.9370304
]
] | -15.253491 | -15.25349 |
[
2.883,
0.347,
-0.103
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.969608 |
[
12.496,
14.576,
11.405
] | 1.864939 |
pbe
| true |
5a5a4dcffd50b6cbf0f702e2756504d5_216_Tl1Fe1Ni1
| 216 |
[
"Fe",
"Ni",
"Tl"
] | 3 |
ABC
|
FeNiTl
|
Tl Fe Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.29199829,
0,
0
],
[
-2.14599915,
3.71697955,
0
],
[
0,
0,
2.93299877
]
] |
agm004275333
|
[
[
0,
0,
0.22438402614096564
],
[
-2.479332496407142e-8,
2.4779863790565986,
0.8157140325672586
],
[
2.145999164793325,
1.2389931709434014,
1.892900711291776
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-2.0295978,
0,
0
],
[
0,
-2.0295978,
0
],
[
0,
0,
-1.7459432
]
] | -15.134801 | -15.134801 |
[
2.747,
0.489,
-0.037
] |
[
[
0,
0,
-0.00107122
],
[
0,
0,
-0.00093148
],
[
0,
0,
0.0020027
]
] | 3.176764 |
[
12.568,
14.487,
11.407
] | 2.748494 |
pbe
| true |
1a4152d3448a3dc3a2ab094402c2fed0_156_Tl1Fe1Ni1
| 156 |
[
"Ca",
"In",
"Se"
] | 4 |
A2BC
|
CaInSe2
|
Ca In Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.43217772,
-0.00219188,
-0.00036504
],
[
5.37828339,
5.12945789,
0.00036504
],
[
-6.39642195,
-2.58564262,
2.76360436
]
] |
agm004275334
|
[
[
5.900286886553074,
2.361534073044175,
4.563175546061504e-21
],
[
0.5028077802660558,
0.2012440628939778,
-9.155995242537992e-24
],
[
4.215077011047271,
0.18585176443353846,
1.38161966
],
[
2.2010980371336015,
2.3566264946283093,
1.3819847
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}]
|
[
"Ca",
"Se",
"Se",
"In"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
1.8646065,
-0.01881445,
-0.00075257
],
[
-0.01881445,
1.904084,
0.00187937
],
[
-0.00075257,
0.00187937,
1.9116478
]
] | -15.885604 | -15.885604 |
[
0,
0,
0,
0
] |
[
[
-0.00224755,
-0.00089956,
0
],
[
-0.00163492,
-0.00065436,
0
],
[
-0.00072713,
-0.00029103,
0
],
[
0.00460959,
0.00184495,
0
]
] | -0.000001 |
[
8.122,
3.863,
3.809,
11.232
] | 1.079822 |
pbe
| true |
84860559f61e884495fa5961198b2e79_44_Ca1In1Se2
| 44 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.10973138,
0,
0
],
[
0,
3.21227885,
0
],
[
0,
0,
6.2787113
]
] |
agm004275335
|
[
[
0,
0,
0.28257936683223506
],
[
1.55486569,
1.606139425,
1.550797677333787
],
[
0,
0,
2.705546614924835
],
[
1.55486569,
1.606139425,
4.879143353696256
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.0357833,
0,
0
],
[
0,
5.873791,
0
],
[
0,
0,
5.932004
]
] | -26.668023 | -26.668022 |
[
1.066,
-0.742,
0.055,
-0.005
] |
[
[
0,
0,
-0.00775681
],
[
0,
0,
-0.00641216
],
[
0,
0,
0.01155791
],
[
0,
0,
0.00261106
]
] | 0.371884 |
[
8.188,
8.288,
10.593,
12.135
] | 5.742389 |
pbe
| true |
7d7856979a3dc3952df9f793216f5870_25_Co2Mo1Pb1
| 25 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.99737605,
-0.06567788,
-0.03858135
],
[
8.51734524,
2.90033094,
-0.03858135
],
[
8.51734524,
1.37848147,
2.55209658
]
] |
agm004275336
|
[
[
19.5240498975,
3.1598508974999997,
1.85620041
],
[
6.508016632499999,
1.0532836325,
0.61873347
],
[
25.726017415992068,
4.163602308321911,
2.4458370228477144
],
[
13.322082379007927,
2.1560994866780887,
1.2665637971522856
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-2.5938365,
-0.08296067,
-0.04873383
],
[
-0.08296067,
-2.0946667,
-0.00788728
],
[
-0.04873383,
-0.00788728,
-2.0858734
]
] | -24.049373 | -24.049374 |
[
-0.222,
-0.962,
-0.381,
-0.381
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00264445,
0.00042799,
0.00025141
],
[
-0.00264445,
-0.00042799,
-0.00025141
]
] | -2.032124 |
[
9.146,
14.397,
13.275,
13.275
] | 8.476392 |
pbe
| true |
3dd5964a04af3df692c8249fa823bfc7_166_La1Ni1Rh2
| 166 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.82777923,
-0.00665027,
0
],
[
-1.37464247,
2.47118144,
0
],
[
0,
0,
9.5597538
]
] |
agm004275337
|
[
[
0,
0,
0.046854456519636004
],
[
0,
0,
4.733022443480364
],
[
0.72656838,
1.232265585,
2.38993845
],
[
0.72656838,
1.232265585,
7.1698153499999995
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.1606727,
0.04095813,
0
],
[
0.04095813,
7.2059884,
0
],
[
0,
0,
7.2772574
]
] | -16.146356 | -16.146357 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.0086299
],
[
0,
0,
0.0086299
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000102 |
[
9.532,
9.532,
2.331,
8.589
] | 2.378845 |
pbe
| true |
1d0f6b842181fb6c5ff24bd065e095d8_65_Ag2P1Pt1
| 65 |
[
"Ca",
"In",
"Se"
] | 4 |
A2BC
|
CaInSe2
|
Ca In Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.62565847,
0,
0
],
[
0,
5.68764534,
0
],
[
0,
0,
3.72552702
]
] |
agm004275338
|
[
[
2.312829235,
0,
1.86276351
],
[
0,
0,
0
],
[
2.312829235,
2.84382267,
0
],
[
0,
2.84382267,
1.86276351
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}]
|
[
"Ca",
"Se",
"Se",
"In"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
2.0456326,
0,
0
],
[
0,
1.8920157,
0
],
[
0,
0,
2.015721
]
] | -15.536361 | -15.536362 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
8.109,
3.858,
3.797,
11.218
] | 1.160996 |
pbe
| true |
84860559f61e884495fa5961198b2e79_47_Ca1In1Se2
| 47 |
[
"Ba",
"Ir",
"Tc"
] | 4 |
A2BC
|
Ba2IrTc
|
Ba2 Tc Ir
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.57354128,
0.04580945,
0.02724698
],
[
8.76245516,
3.85670463,
0.02724698
],
[
8.76245516,
1.8649439,
3.3759291
]
] |
agm004275339
|
[
[
26.883479583457202,
5.72170473584466,
3.4032095138650202
],
[
13.764197816542799,
2.9294822341553397,
1.74242507613498
],
[
6.774612900000001,
1.441864495,
0.857605765
],
[
20.3238387,
4.325593485000001,
2.572817295
]
] |
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ba",
"Ba",
"Ir",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
1.9671513,
-0.10024978,
-0.05962751
],
[
-0.10024978,
2.4168391,
-0.01269073
],
[
-0.05962751,
-0.01269073,
2.4306273
]
] | -18.589583 | -18.589584 |
[
-0.038,
-0.038,
0.63,
2.456
] |
[
[
-0.00214325,
-0.00045616,
-0.00027132
],
[
0.00214325,
0.00045616,
0.00027132
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.161956 |
[
8.106,
8.106,
8.106,
11.101
] | 2.851779 |
pbe
| true |
21893cabaae7d9ce1493867861b39595_166_Ba2Tc1Ir1
| 166 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.88648548,
0,
0
],
[
0,
2.84337252,
0.00654272
],
[
0,
2.6596437,
4.85307113
]
] |
agm004275340
|
[
[
0,
0.6819873098529365,
0.0091850535797901
],
[
0,
2.0695208001470635,
2.42062187142021
],
[
2.44324274,
1.375754055,
1.2149034625
],
[
2.44324274,
4.127262165,
3.6447103875
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.237958,
0,
0
],
[
0,
6.962529,
0.01327292
],
[
0,
0.01327313,
7.4768972
]
] | -16.723948 | -16.723948 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00274251,
-0.00032748
],
[
0,
0.00274251,
0.00032748
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
9.532,
9.532,
2.338,
8.72
] | 1.347477 |
pbe
| true |
6afe80ed98a298418400f99352a5bd8e_10_Ag2P1Pt1
| 10 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.61083861,
0,
0
],
[
2.3054193,
3.99310337,
0
],
[
2.3054193,
1.33103446,
3.76473396
]
] |
agm004275342
|
[
[
4.6108386050000005,
2.662068915,
1.88236698
],
[
6.9162579075,
3.9931033725,
2.82355047
],
[
0,
0,
0
],
[
2.3054193025000003,
1.3310344575,
0.94118349
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.4605507,
0,
0
],
[
0,
-1.4605507,
0
],
[
0,
0,
-1.4605507
]
] | -25.924274 | -25.924274 |
[
-0.001,
0.004,
0.01,
0.008
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.02023 |
[
8.855,
14.52,
13.294,
13.449
] | 8.925849 |
pbe
| true |
49aa514cb2b0c3d23b80ed0f9881b0bd_216_La1Ni1Rh2
| 216 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
Fe2NiTl
|
Tl Fe2 Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.73517473,
0,
0
],
[
0,
3.73517473,
0
],
[
0,
0,
4.07791976
]
] |
agm004275344
|
[
[
0,
0,
0
],
[
1.867587365,
1.867587365,
0
],
[
1.867587365,
0,
2.03895988
],
[
0,
1.867587365,
2.03895988
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.66858333,
0,
0
],
[
0,
0.66858333,
0
],
[
0,
0,
0.36295503
]
] | -23.657638 | -23.657639 |
[
2.585,
2.585,
0.233,
-0.089
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.214168 |
[
12.613,
12.613,
14.514,
11.519
] | 4.099973 |
pbe
| true |
76d29c6e07626e688e217ef5117a1505_123_Tl1Fe2Ni1
| 123 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30403407,
0,
0
],
[
0,
3.49499192,
0
],
[
0,
0,
6.05763495
]
] |
agm004275345
|
[
[
1.652017035,
1.74749596,
1.5144087375
],
[
1.652017035,
1.74749596,
4.5432262125
],
[
0,
0,
5.840650708396398
],
[
0,
0,
3.245801716603602
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.5127935,
0,
0
],
[
0,
-1.7869611,
0
],
[
0,
0,
-1.7436755
]
] | -25.800469 | -25.800468 |
[
-0.015,
0.652,
0.126,
0.126
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00150999
],
[
0,
0,
0.00150999
]
] | 0.859773 |
[
8.866,
14.411,
13.388,
13.388
] | 5.109374 |
pbe
| true |
b948d0b09126b360c8102fab4628f102_47_La1Ni1Rh2
| 47 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.97234654,
0,
0
],
[
0,
4.65270134,
0.05300091
],
[
0,
3.24077179,
4.79914243
]
] |
agm004275346
|
[
[
0,
0,
0
],
[
1.48617327,
2.32635067,
0.026500455
],
[
1.48617327,
3.946736565,
2.42607167
],
[
0,
1.620385895,
2.399571215
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.346879,
0,
0
],
[
0,
6.9254413,
0.26247704
],
[
0,
0.26247722,
7.5669518
]
] | -16.395332 | -16.395332 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
9.535,
9.546,
2.301,
8.629
] | 2.081523 |
pbe
| true |
6afe80ed98a298418400f99352a5bd8e_10_Ag2P1Pt1
| 10 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.35892534,
-0.04144312,
-0.03300505
],
[
2.44901323,
4.76677383,
0.03300506
],
[
-3.46633233,
-3.08579775,
2.68016425
]
] |
agm004275347
|
[
[
-3.313569855719179,
-2.9933465601522355,
2.68016425019565
],
[
2.7102459984116605,
-0.49608581784341754,
1.3235796022591744
],
[
3.6180551453476975,
2.1896313521822433,
4.633816100117039e-9
],
[
1.7645119850392055,
2.2162016380667175,
1.3565846579113594
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.7875004,
-0.13934438,
-0.14866622
],
[
-0.13934438,
6.933417,
0.24565145
],
[
-0.14866622,
0.24565145,
7.206302
]
] | -17.070317 | -17.070316 |
[
0,
0,
0,
0
] |
[
[
0.00097039,
0.00058728,
0
],
[
0.00105138,
0.00063629,
0
],
[
-0.00130301,
-0.00078858,
0
],
[
-0.00071876,
-0.00043499,
0
]
] | -0.000001 |
[
9.456,
9.485,
2.38,
8.837
] | 1.709565 |
pbe
| true |
6ab1d677dbc4589719c23c9e6f6b6449_44_Ag2P1Pt1
| 44 |
[
"As",
"Au",
"Pt"
] | 4 |
A2BC
|
AsAuPt2
|
As Pt2 Au
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.84856672,
-0.00139263,
0
],
[
-1.42548941,
2.46623483,
0
],
[
0,
0,
9.61359482
]
] |
agm004275349
|
[
[
0.711538655,
1.2324211,
2.403398705
],
[
0.711538655,
1.2324211,
7.210196115
],
[
0,
0,
0.092945196079242
],
[
0,
0,
4.713852213920758
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"As",
"Au",
"Pt",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.2070956,
0.2871104,
0
],
[
0.2871104,
4.5386224,
0
],
[
0,
0,
3.900124
]
] | -19.681815 | -19.681814 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0004042
],
[
0,
0,
0.0004042
]
] | -0.000017 |
[
2.648,
9.628,
8.634,
8.634
] | 3.33352 |
pbe
| true |
a1c25ec581f657a577ef3c19e894ac66_65_As1Pt2Au1
| 65 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.0550227,
0,
0
],
[
0,
3.82897462,
0
],
[
0,
0,
5.95304542
]
] |
agm004275350
|
[
[
0,
0,
2.9745081398994175
],
[
1.52751135,
1.91448731,
4.784366462370467
],
[
0,
0,
5.824650195911894
],
[
1.52751135,
1.91448731,
1.2990886922877667
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.6935331,
0,
0
],
[
0,
-1.3856941,
0
],
[
0,
0,
-1.9642663
]
] | -25.770096 | -25.770096 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00439914
],
[
0,
0,
-0.00036987
],
[
0,
0,
-0.00104707
],
[
0,
0,
-0.0029822
]
] | 0 |
[
8.864,
14.488,
13.278,
13.384
] | 4.997634 |
pbe
| true |
5558ecd6ee1afc5acd2387f1210abed8_25_La1Ni1Rh2
| 25 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
Fe2NiTl
|
Tl Fe2 Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.87097269,
-0.00532282,
0
],
[
0.00545591,
2.87097244,
0
],
[
0,
0,
7.23084457
]
] |
agm004275351
|
[
[
0,
0,
0.3559413609129694
],
[
0,
0,
3.259480924087031
],
[
1.4382142999999998,
1.43282481,
1.8077111425
],
[
1.4382142999999998,
1.43282481,
5.4231334275
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.9319932,
0.0000432,
0
],
[
0.0000432,
0.9319929,
0
],
[
0,
0,
1.365008
]
] | -23.36286 | -23.36286 |
[
2.77,
2.77,
0.753,
-0.054
] |
[
[
0,
0,
0.00019869
],
[
0,
0,
-0.00019869
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.160796 |
[
12.576,
12.576,
14.513,
11.421
] | 4.021407 |
pbe
| true |
b49ddb394ad823915e2e22f1281cf24d_123_Tl1Fe2Ni1
| 65 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
Fe2NiTl
|
Tl Fe2 Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.85084378,
-0.01779111,
-1e-8
],
[
1.98970534,
4.42403374,
-1e-8
],
[
-3.42027652,
-2.20312258,
2.64177232
]
] |
agm004275352
|
[
[
0,
0,
0
],
[
3.42027456,
2.2031213149999997,
-1e-8
],
[
0.99485169,
2.2120162374999994,
1.32088615
],
[
2.4254209099999997,
-0.008896187500000208,
1.32088615
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.466194,
0.24595071,
-6e-8
],
[
0.24595071,
0.24278912,
-4e-8
],
[
-6e-8,
-4e-8,
0.08436323
]
] | -23.633649 | -23.63365 |
[
2.572,
2.572,
0.331,
-0.09
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.270949 |
[
12.618,
12.618,
14.521,
11.517
] | 4.752904 |
pbe
| true |
76d29c6e07626e688e217ef5117a1505_139_Tl1Fe2Ni1
| 139 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.64693373,
0.04462459,
0
],
[
-0.69594815,
2.55419374,
0
],
[
0,
0,
9.20004089
]
] |
agm004275353
|
[
[
0,
0,
0.0856878008433265
],
[
0,
0,
4.514332644156673
],
[
0.9754927900000001,
1.2994091650000001,
2.3000102225
],
[
0.9754927900000001,
1.2994091650000001,
6.9000306675
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.8761177,
0.17366292,
0
],
[
0.17366292,
6.977074,
0
],
[
0,
0,
6.9275475
]
] | -22.409565 | -22.409565 |
[
0.008,
0.008,
2.858,
0.016
] |
[
[
0,
0,
0.00726523
],
[
0,
0,
-0.00726523
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.874585 |
[
9.605,
9.605,
12.521,
11.273
] | 3.340842 |
pbe
| true |
26059a24ea1c61d2997282ac4567ee5c_65_Fe1Tc1Ag2
| 65 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.76308292,
0,
0
],
[
0,
4.6448213,
0
],
[
0,
0,
4.90914091
]
] |
agm004275354
|
[
[
0,
0,
0
],
[
1.38154146,
2.32241065,
0
],
[
1.38154146,
0,
2.454570455
],
[
0,
2.32241065,
2.454570455
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.454782,
0,
0
],
[
0,
6.543774,
0
],
[
0,
0,
7.15406
]
] | -22.26812 | -22.26812 |
[
0.009,
0.004,
2.828,
0.417
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.2941 |
[
9.583,
9.623,
12.528,
11.255
] | 3.227511 |
pbe
| true |
b860f46b18437bfac36cb753ab3f94d6_47_Fe1Tc1Ag2
| 47 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.37518803,
-0.01318316,
0.07561032
],
[
2.19906034,
3.7824037,
0.07561032
],
[
2.09823963,
1.20298587,
4.8294954
]
] |
agm004275355
|
[
[
4.337332472864277,
2.4867272602636254,
2.483790312163464
],
[
2.184507437019974,
1.2524458822925661,
0.41002207806465596
],
[
6.573653982180809,
3.7688797590101393,
0.1777636025517804
],
[
6.487486522695029,
3.7194772790960164,
4.550718660437352
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.0912718,
-0.02852337,
0.13653526
],
[
-0.02852337,
-1.0578748,
0.07827989
],
[
0.13653538,
0.07827996,
-0.82862586
]
] | -26.885378 | -26.885378 |
[
0,
0,
0,
0
] |
[
[
-0.00223408,
-0.00128087,
0.00246494
],
[
0.00369826,
0.00212033,
-0.00047151
],
[
-0.00372646,
-0.0021365,
-0.00355428
],
[
0.00226228,
0.00129704,
0.00156085
]
] | 0.001015 |
[
8.552,
14.55,
13.356,
13.444
] | 6.037254 |
pbe
| true |
b948d0b09126b360c8102fab4628f102_160_La1Ni1Rh2
| 8 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.7201822,
-0.01899099,
1e-8
],
[
1.22843839,
4.55756731,
1e-8
],
[
-2.97430756,
-2.26928607,
2.87824883
]
] |
agm004275356
|
[
[
0,
0,
0
],
[
0.6142205624999997,
2.278784699999999,
1.439124425
],
[
2.974310295,
2.26928816,
1e-8
],
[
2.3600924675000003,
-0.009494450000000265,
1.439124425
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.77263,
-0.03107245,
0.00000649
],
[
-0.03107245,
6.7896495,
0.00000495
],
[
0.00000649,
0.00000495,
6.813378
]
] | -22.031038 | -22.031038 |
[
-0.004,
0.031,
2.782,
-0.132
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.662892 |
[
9.616,
9.595,
12.519,
11.23
] | 4.512988 |
pbe
| true |
d72f79ae32c9a8e0163c4c5f4ce865f0_119_Fe1Tc1Ag2
| 119 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.66071128,
0,
0
],
[
0,
4.87590983,
-0.00067136
],
[
0,
3.22431714,
4.81185349
]
] |
agm004275357
|
[
[
0,
0,
0
],
[
1.33035564,
2.437954915,
-0.00033568
],
[
1.33035564,
4.050113485000001,
2.405591065
],
[
0,
1.61215857,
2.405926745
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.8399873,
0,
0
],
[
0,
7.0210094,
-0.42912856
],
[
0,
-0.4291287,
6.6078534
]
] | -22.510267 | -22.510267 |
[
0.028,
0.02,
2.897,
0.418
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.402853 |
[
9.596,
9.612,
12.509,
11.269
] | 3.353386 |
pbe
| true |
8ffee5b6b6d4b8da7705867681cb1fc8_10_Fe1Tc1Ag2
| 10 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.6637534,
0,
0
],
[
0,
2.6637534,
0
],
[
0,
0,
8.74998463
]
] |
agm004275358
|
[
[
0,
0,
0.0859766489756096
],
[
0,
0,
4.28901566602439
],
[
1.3318767,
1.3318767,
2.1874961575
],
[
1.3318767,
1.3318767,
6.5624884725
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.4283,
0,
0
],
[
0,
7.4283,
0
],
[
0,
0,
6.9265537
]
] | -22.466416 | -22.466415 |
[
0.008,
0.008,
2.906,
-0.017
] |
[
[
0,
0,
0.00933697
],
[
0,
0,
-0.00933697
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.896618 |
[
9.61,
9.61,
12.522,
11.272
] | 4.057277 |
pbe
| true |
26059a24ea1c61d2997282ac4567ee5c_123_Fe1Tc1Ag2
| 123 |
[
"Fe",
"Ni",
"Tl"
] | 4 |
A2BC
|
Fe2NiTl
|
Tl Fe2 Ni
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.06925435,
0,
0
],
[
0,
3.08702074,
0
],
[
0,
0,
6.11975382
]
] |
agm004275359
|
[
[
0,
0,
0.278781713417808
],
[
1.534627175,
1.54351037,
1.5191135896530312
],
[
0,
0,
2.8209466662728024
],
[
1.534627175,
1.54351037,
4.560788821853897
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}]
|
[
"Fe",
"Fe",
"Ni",
"Tl"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.6464229,
0,
0
],
[
0,
-0.01222309,
0
],
[
0,
0,
0.2989635
]
] | -23.806187 | -23.806187 |
[
2.495,
2.773,
0.454,
-0.03
] |
[
[
0,
0,
0.00183971
],
[
0,
0,
-0.00099473
],
[
0,
0,
0.00094018
],
[
0,
0,
-0.00178516
]
] | 5.650183 |
[
12.683,
12.637,
14.512,
11.393
] | 5.475371 |
pbe
| true |
b25848bf4309901ee153778736ef7aea_25_Tl1Fe2Ni1
| 25 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.35461398,
-0.13192112,
0.1452798
],
[
3.26080089,
2.88915968,
0.1452798
],
[
0.91514428,
0.33133731,
4.94647544
]
] |
agm004275360
|
[
[
1.0007319978481255,
0.36232521562787967,
4.593132664199121
],
[
4.179691857151875,
1.5133000293721204,
2.9718602958008797
],
[
6.3979193625,
2.3164319024999998,
3.9277762800000002
],
[
2.1326397875,
0.7721439675,
1.30925876
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.492184,
-0.20578218,
0.0749563
],
[
-0.20578218,
5.9860435,
0.02713869
],
[
0.07495634,
0.02713871,
5.8534665
]
] | -26.737427 | -26.737427 |
[
0,
0,
0,
0
] |
[
[
-0.00026852,
-0.00009722,
0.00741565
],
[
0.00026852,
0.00009722,
-0.00741565
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000076 |
[
8.286,
8.286,
10.661,
12.129
] | 3.317265 |
pbe
| true |
cf9a9bb34882ca3768a874378798c4e1_12_Co2Mo1Pb1
| 12 |
[
"Rh",
"Sb",
"Zn"
] | 4 |
A2BC
|
RhSbZn2
|
Zn2 Sb Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.83296652,
-0.01130596,
0.03524371
],
[
3.71187414,
3.09510638,
0.03524371
],
[
0.87981322,
0.31752124,
4.59177999
]
] |
agm004275361
|
[
[
7.068490410000001,
2.550991245,
3.4967005575
],
[
2.3561634700000003,
0.850330415,
1.1655668525
],
[
0.9534743731827149,
0.344105269256477,
4.4013974391052715
],
[
4.638665786817285,
1.674076800743523,
2.521516255894728
]
] |
[{"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
] |
[
[
6.165132,
0.09524856,
0.03855982
],
[
0.09524856,
5.9355845,
0.01391609
],
[
0.03855992,
0.01391613,
6.266517
]
] | -14.353633 | -14.353633 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0041151,
-0.00148512,
-0.00031857
],
[
0.0041151,
0.00148512,
0.00031857
]
] | -0 |
[
13.395,
2.388,
10.75,
10.75
] | 1.599272 |
pbe
| true |
b640563c4a0a056f0281c1ba30993812_12_Zn2Sb1Rh1
| 12 |
[
"Ca",
"In",
"Sc"
] | 4 |
A2BC
|
CaIn2Sc
|
Ca Sc In2
| 3 |
[
1,
1,
1
] | 3 |
[
[
10.15503075,
0.04497741,
0.02653924
],
[
9.52185932,
3.5299954,
0.02653924
],
[
9.52185932,
1.7299679,
3.07713875
]
] |
agm004275362
|
[
[
7.2996873475,
1.3262351774999999,
0.7825543075
],
[
21.8990620425,
3.9787055325,
2.3476629225
],
[
29.084297008103565,
5.284146562553163,
3.117947498408363
],
[
14.713827076896441,
2.6732645024468367,
1.5773783465916371
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Ca",
"In",
"In"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
3.6117394,
-0.05584709,
-0.03295297
],
[
-0.05584709,
3.908979,
-0.00598702
],
[
-0.03295297,
-0.00598702,
3.9155927
]
] | -14.903599 | -14.903599 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00010051,
0.00001826,
0.00001077
],
[
-0.00010051,
-0.00001826,
-0.00001077
]
] | -0.000004 |
[
9.263,
8.172,
11.419,
11.419
] | 2.93376 |
pbe
| true |
bbc7175d9a4fbeb04e2c06cb69ea9c9b_166_Ca1Sc1In2
| 166 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.20044416,
0,
0
],
[
0,
3.00283074,
0.00427974
],
[
0,
1.50357981,
4.77235774
]
] |
agm004275363
|
[
[
0,
2.0664646931863837,
4.724180467369079
],
[
2.10022208,
0.5647160212818414,
1.3161412066791507
],
[
0,
2.061698126080486,
2.0318746574030606
],
[
2.10022208,
3.5703167794154913,
3.865117580825134
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.2253747,
0,
0
],
[
0,
5.9338193,
0.04925432
],
[
0,
0.04925435,
5.666612
]
] | -26.726932 | -26.726933 |
[
-0.119,
0.339,
-0.059,
-0.002
] |
[
[
0,
0.00274825,
-0.0077311
],
[
0,
-0.00265224,
-0.003606
],
[
0,
0.00150811,
0.00398283
],
[
0,
-0.00160412,
0.00735426
]
] | 0.146237 |
[
8.313,
8.316,
10.485,
12.207
] | 3.849289 |
pbe
| true |
7d7856979a3dc3952df9f793216f5870_6_Co2Mo1Pb1
| 6 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.40268666,
0,
0
],
[
2.20134333,
3.81283849,
0
],
[
2.20134333,
1.27094616,
3.59477861
]
] |
agm004275364
|
[
[
0,
0,
0
],
[
6.60402999,
3.8128384874999997,
2.6960839575
],
[
4.40268666,
2.541892325,
1.797389305
],
[
2.20134333,
1.2709461625,
0.8986946525
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.9817553,
0,
0
],
[
0,
5.9817553,
0
],
[
0,
0,
5.9817553
]
] | -26.11565 | -26.11565 |
[
0.868,
-0.5,
0.013,
-0.026
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.315835 |
[
8.116,
8.111,
10.635,
12.3
] | 3.678726 |
pbe
| true |
7538ae25ec5665f7bb2d0172b8ee9ed1_216_Co2Mo1Pb1
| 216 |
[
"K",
"Ta"
] | 2 |
AB
|
KTa
|
K Ta
| 2 |
[
1,
1,
1
] | 3 |
[
[
6.80381417,
0.00116911,
0.00069746
],
[
6.1570362,
2.89530548,
0.00069746
],
[
6.1570362,
1.37596673,
2.54745164
]
] |
agm004275365
|
[
[
0,
0,
0
],
[
9.558943285,
2.13622066,
1.27442328
]
] |
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
"Ta"
] |
2023-11-16 00:00:00
|
[
0.5,
0.5
] |
[
[
2.660924,
0.02591474,
0.01546018
],
[
0.02591474,
2.5507545,
0.00345502
],
[
0.01546018,
0.00345502,
2.5470245
]
] | -10.338085 | -10.338085 |
[
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000186 |
[
7.654,
8.682
] | 2.139101 |
pbe
| true |
be9c1ac556994f6e231a720b7796f367_166_K1Ta1
| 166 |
[
"Ni",
"Tc",
"Y"
] | 4 |
A2BC
|
Ni2TcY
|
Y Tc Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.4144532,
-0.00285399,
-0.00810052
],
[
-2.55501759,
3.89597531,
-0.00014864
],
[
1.30442105,
0.85746497,
2.43376041
]
] |
agm004275366
|
[
[
0,
0,
0
],
[
3.859437125,
0.42730549,
1.212829945
],
[
-0.6252982699999999,
2.3767201399999998,
1.216805885
],
[
1.929717805,
1.9465606599999998,
-0.00412458
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ni",
"Ni",
"Tc",
"Y"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-5.54523,
-0.02405965,
-0.068296
],
[
-0.02405791,
-5.6824064,
-0.11676087
],
[
-0.06829108,
-0.11676087,
-5.9726706
]
] | -27.979892 | -27.979893 |
[
0.039,
0.039,
0.15,
-0.006
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.224708 |
[
14.529,
14.529,
11.248,
9.582
] | 4.879462 |
pbe
| true |
f3bfb729d3ae7869bb4f9a05becbfff1_65_Y1Tc1Ni2
| 12 |
[
"Ni",
"Tc",
"Y"
] | 4 |
A2BC
|
Ni2TcY
|
Y Tc Ni2
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.00892206,
-0.04989906,
-3e-8
],
[
2.05666459,
4.56748518,
-3e-8
],
[
-3.53279453,
-2.25879383,
2.74025599
]
] |
agm004275367
|
[
[
0,
0,
0
],
[
1.0283316925,
2.2837422050000002,
1.370127965
],
[
3.532793325,
2.25879306,
-3e-8
],
[
2.5044604274999998,
-0.0249499150000001,
1.370127965
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ni",
"Ni",
"Tc",
"Y"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
-4.9808707,
0.3823544,
0.00000247
],
[
0.3823544,
-5.3344107,
0.00000158
],
[
0.00000247,
0.00000158,
-5.578871
]
] | -27.660888 | -27.660889 |
[
0.487,
0.523,
1.208,
-0.034
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.149333 |
[
14.481,
14.496,
11.324,
9.497
] | 4.034946 |
pbe
| true |
b525de027bf854c253ceae12b7c771f0_119_Y1Tc1Ni2
| 119 |
[
"Ag",
"Fe",
"Tc"
] | 4 |
A2BC
|
Ag2FeTc
|
Fe Tc Ag2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.32334483,
0,
0
],
[
0,
3.81250999,
0
],
[
0,
0,
3.81250999
]
] |
agm004275368
|
[
[
0,
0,
0
],
[
0,
1.906254995,
1.906254995
],
[
2.161672415,
1.906254995,
0
],
[
2.161672415,
0,
1.906254995
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Fe",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.768631,
0,
0
],
[
0,
6.991751,
0
],
[
0,
0,
6.991751
]
] | -21.988988 | -21.988987 |
[
0.057,
0.057,
3.047,
0.737
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.014138 |
[
9.598,
9.598,
12.504,
11.234
] | 4.904181 |
pbe
| true |
d72f79ae32c9a8e0163c4c5f4ce865f0_123_Fe1Tc1Ag2
| 123 |
[
"As",
"Ru",
"Sc"
] | 4 |
A2BC
|
AsRu2Sc
|
Sc As Ru2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.13932391,
0,
0
],
[
0,
3.13932391,
0
],
[
0,
0,
6.22331727
]
] |
agm004275369
|
[
[
1.569661955,
1.569661955,
4.6674879525
],
[
0,
0,
6.110895283911668
],
[
0,
0,
3.2240806210883326
],
[
1.569661955,
1.569661955,
1.5558293175
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"As",
"Ru",
"Ru",
"Sc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
6.143662,
0,
0
],
[
0,
6.143662,
0
],
[
0,
0,
5.621353
]
] | -31.21835 | -31.21835 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00752437
],
[
0,
0,
0.00752437
],
[
0,
0,
0
]
] | 0 |
[
2.726,
12.753,
12.753,
9.644
] | 0.468427 |
pbe
| true |
d6e3b3a7e4d329d0bc45cdef67cc45c9_123_Sc1As1Ru2
| 123 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.79116753,
0.03443263,
0.0202858
],
[
8.28016301,
2.95376248,
0.0202858
],
[
8.28016301,
1.449374,
2.57379861
]
] |
agm004275370
|
[
[
25.032102251480456,
4.381662306816283,
2.581433014621911
],
[
6.449015602797877,
1.1288468023566953,
0.6650540822191504
],
[
12.9882371434603,
2.273483407496284,
1.3394106426632248
],
[
18.909378370231497,
3.3099301695793555,
1.9500277332083094
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.5595646,
0.06675063,
0.03932578
],
[
0.06675063,
5.1899076,
0.00688365
],
[
0.03932578,
0.00688365,
5.1822786
]
] | -25.855809 | -25.855808 |
[
1.749,
1.627,
-0.122,
-0.001
] |
[
[
0.00937566,
0.00164113,
0.00096686
],
[
-0.00380545,
-0.00066611,
-0.00039244
],
[
-0.00198642,
-0.00034771,
-0.00020485
],
[
-0.00358379,
-0.00062731,
-0.00036958
]
] | 3.171857 |
[
7.979,
8.096,
10.499,
12.226
] | 5.882067 |
pbe
| true |
e7b011f0826708b8f2a077a51b2ae2bb_160_Co2Mo1Pb1
| 160 |
[
"Hg",
"Os",
"Se"
] | 4 |
A2BC
|
Hg2OsSe
|
Hg2 Os Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.91907226,
0.00841265,
-0.02358415
],
[
6.25253203,
2.96301787,
-0.02358415
],
[
1.63611738,
0.36909772,
4.43169186
]
] |
agm004275371
|
[
[
13.07063784826778,
2.9486531301014374,
-0.008178518256137005
],
[
11.939120588385116,
2.693390001231435,
2.964790756471924
],
[
7.606119863960469,
1.7158924761557972,
2.1136941380845933
],
[
2.767308626102679,
0.6242873022256357,
1.4593106632279367
]
] |
[{"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",
"Hg",
"Os",
"Se"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.5030656,
-0.04686464,
-0.02970744
],
[
-0.04686464,
5.700232,
-0.00670181
],
[
-0.02970722,
-0.00670176,
5.3201756
]
] | -13.76333 | -13.76333 |
[
0,
0,
0,
0
] |
[
[
-0.00250663,
-0.00056548,
0.002802
],
[
-0.0022442,
-0.00050628,
0.00040059
],
[
-0.00951938,
-0.00214751,
0.00360359
],
[
0.01427021,
0.00321927,
-0.00680618
]
] | 0.000255 |
[
10.517,
10.427,
12.482,
3.804
] | 4.161881 |
pbe
| true |
5c744e453af87485d854f96ab9d3826e_44_Hg2Os1Se1
| 8 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.23731865,
0,
0
],
[
0,
2.96205417,
-0.00378392
],
[
0,
1.47100753,
5.30094672
]
] |
agm004275372
|
[
[
0,
4.249467349014905,
5.282088289121117
],
[
2.118659325,
1.2931006310683941,
1.3536417495543585
],
[
0,
2.7681313991060468,
2.791720568195123
],
[
2.118659325,
2.7719548710110455,
3.8154562870726267
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.436308,
0,
0
],
[
0,
7.2482038,
0.11137567
],
[
0,
0.11137525,
7.275467
]
] | -17.089911 | -17.08991 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00184775,
-0.0007199
],
[
0,
-0.00098255,
-0.00119372
],
[
0,
0.00237772,
0.00041245
],
[
0,
0.00045259,
0.00150118
]
] | 0 |
[
9.49,
9.5,
2.356,
8.783
] | 1.970256 |
pbe
| true |
6afe80ed98a298418400f99352a5bd8e_6_Ag2P1Pt1
| 6 |
[
"Cu",
"K",
"Zn"
] | 4 |
A2BC
|
CuK2Zn
|
K2 Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.58325017,
0,
0
],
[
0,
3.5835149,
0
],
[
0,
0,
10.06820089
]
] |
agm004275373
|
[
[
1.791625085,
1.79175745,
6.5098713554979035
],
[
0,
0,
9.246771618088015
],
[
1.791625085,
1.79175745,
3.347993239478973
],
[
0,
0,
6.065866112617118
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-1.2014992,
0,
0
],
[
0,
-1.2190158,
0
],
[
0,
0,
-1.1723623
]
] | -6.741764 | -6.741765 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00924595
],
[
0,
0,
0.00319034
],
[
0,
0,
-0.0014732
],
[
0,
0,
0.00752882
]
] | 0 |
[
15.318,
7.565,
7.567,
10.697
] | 1.160591 |
pbe
| true |
2ebcd1e547e48e02e9c220ae15c3b7a2_99_K2Zn1Cu1
| 25 |
[
"In",
"Rh",
"Te"
] | 4 |
A2BC
|
In2RhTe
|
In2 Te Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
-2.36806743,
2.36806743,
3.97452156
],
[
2.36806743,
-2.36806743,
3.97452156
],
[
2.36806743,
2.36806743,
-3.97452156
]
] |
agm004275374
|
[
[
0,
0,
0
],
[
2.36806743,
0,
1.98726078
],
[
0,
2.36806743,
1.98726078
],
[
0,
0,
3.97452156
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"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"]}]
|
[
"In",
"In",
"Te",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.774816,
0,
0
],
[
0,
5.774816,
0
],
[
0,
0,
5.3900223
]
] | -15.467097 | -15.467097 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000018 |
[
11.378,
11.362,
3.307,
13.27
] | 1.920419 |
pbe
| true |
f2df7c264f919f40803889a12e9cd5c9_119_In2Te1Rh1
| 119 |
[
"In",
"Rh",
"Te"
] | 4 |
A2BC
|
In2RhTe
|
In2 Te Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
2.94368604,
-4.04707069,
0
],
[
2.94368604,
4.04707069,
0
],
[
0,
0,
3.74259792
]
] |
agm004275375
|
[
[
1.47184302,
2.023535345,
0
],
[
1.47184302,
-2.023535345,
0
],
[
0,
0,
1.87129896
],
[
2.94368604,
0,
1.87129896
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["In"]}, {"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"]}]
|
[
"In",
"In",
"Te",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.0845323,
0,
0
],
[
0,
5.7738266,
0
],
[
0,
0,
6.2471876
]
] | -15.520167 | -15.520167 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 |
[
11.351,
11.351,
3.376,
13.294
] | 2.465336 |
pbe
| true |
f2df7c264f919f40803889a12e9cd5c9_65_In2Te1Rh1
| 65 |
[
"Cu",
"K",
"Zn"
] | 3 |
ABC
|
CuKZn
|
K Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.959687,
0,
0
],
[
2.4798435,
4.29521493,
0
],
[
2.4798435,
1.43173831,
4.04956748
]
] |
agm004275376
|
[
[
0,
0,
0
],
[
4.959687,
2.86347662,
2.02478374
],
[
7.4395305,
4.29521493,
3.0371756100000002
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-1.4517118,
0,
0
],
[
0,
-1.4517118,
0
],
[
0,
0,
-1.4517118
]
] | -4.968858 | -4.968858 |
[
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 |
[
15.328,
7.594,
10.665
] | 1.584075 |
pbe
| true |
8f16940a0bbe973473d759e5d8caa282_216_K1Zn1Cu1
| 216 |
[
"Hg",
"Rh",
"Se"
] | 4 |
A2BC
|
HgRhSe2
|
Hg Rh Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.58640763,
0,
0
],
[
0,
4.08713897,
0
],
[
0,
0,
4.08713897
]
] |
agm004275377
|
[
[
2.293203815,
2.043569485,
0
],
[
2.293203815,
0,
2.043569485
],
[
0,
0,
0
],
[
0,
2.043569485,
2.043569485
]
] |
[{"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": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Hg",
"Rh",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
5.4684286,
0,
0
],
[
0,
5.251612,
0
],
[
0,
0,
5.251612
]
] | -13.025784 | -13.025785 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
10.48,
13.247,
3.651,
3.651
] | 2.44906 |
pbe
| true |
51053238da14a5e817f5dad2b77085c7_123_Hg1Rh1Se2
| 123 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNiRh2
|
La Ni Rh2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.97022768,
-0.04746323,
-0.04577723
],
[
1.57035134,
4.71586816,
0.04577722
],
[
-3.24393805,
-2.37112219,
2.92611634
]
] |
agm004275378
|
[
[
3.270483111138992,
2.334340649785928,
-5.0002960002096904e-9
],
[
0.7981743465259286,
2.339347843778545,
1.4859467775002708
],
[
-3.243808481129614,
-2.3710297088983365,
2.926116339999802
],
[
2.498143388058903,
-0.04229581635018542,
1.4401695525002236
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Rh",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
-1.422061,
0.10079714,
0.03761793
],
[
0.10079714,
-1.4913359,
-0.05270367
],
[
0.03761794,
-0.05270368,
-1.1716712
]
] | -26.202579 | -26.20258 |
[
-0.042,
0.397,
0.328,
0.298
] |
[
[
-0.00183393,
-0.00130899,
0
],
[
0.00135891,
0.00096994,
0
],
[
-0.0009011,
-0.00064317,
0
],
[
0.00137612,
0.00098222,
0
]
] | 0.922937 |
[
8.903,
14.474,
13.361,
13.391
] | 4.683836 |
pbe
| true |
7547c0d4b616859142da83a2c6923512_119_La1Ni1Rh2
| 44 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.22403989,
0,
0
],
[
0,
3.22403989,
0
],
[
0,
0,
6.42451187
]
] |
agm004275379
|
[
[
1.612019945,
1.612019945,
4.859121989248145
],
[
0,
0,
0.43694589290111974
],
[
1.612019945,
1.612019945,
1.442891592837648
],
[
0,
0,
2.8978082657679685
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.1149836,
0,
0
],
[
0,
-4.1149836,
0
],
[
0,
0,
-4.3353763
]
] | -23.886289 | -23.88629 |
[
-0.023,
0.167,
0.354,
0.038
] |
[
[
0,
0,
-0.00140061
],
[
0,
0,
-0.00566419
],
[
0,
0,
0.01077282
],
[
0,
0,
-0.00370803
]
] | 0.493341 |
[
8.82,
14.519,
14.447,
13.369
] | 4.717049 |
pbe
| true |
5db5246617a384e0b86ddf6d09eee31e_99_La1Ni2Rh1
| 99 |
[
"As",
"Li",
"W"
] | 4 |
A2BC
|
As2LiW
|
Li As2 W
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.14350184,
0.01134395,
-0.00517097
],
[
5.6324721,
4.39374616,
0.00517095
],
[
-6.36718866,
-2.26286326,
2.31692301
]
] |
agm004275380
|
[
[
-5.62480249405422,
-2.0068923279390214,
2.3169230088378403
],
[
4.091205434886076,
0.15103254260952137,
1.1558760142031053
],
[
-0.5957401688056407,
-0.27289750174684135,
2.316923000965153
],
[
2.191732157973785,
1.9478026720763413,
1.1610469759939015
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Li"]}]
|
[
"As",
"As",
"Li",
"W"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
0.99751925,
-0.12120944,
-0.04490587
],
[
-0.12120944,
1.3072678,
0.13024092
],
[
-0.04490587,
0.13024092,
1.3572657
]
] | -24.557615 | -24.557615 |
[
0,
0,
0,
0
] |
[
[
0.00333546,
0.00115005,
0
],
[
0.00066144,
0.00022806,
0
],
[
-0.00160814,
-0.00055448,
0
],
[
-0.00238876,
-0.00082363,
0
]
] | 0.000081 |
[
2.809,
2.845,
2.222,
10.051
] | 2.118673 |
pbe
| true |
58d645b3b0d3c61673d376922a04de27_44_Li1As2W1
| 44 |
[
"Co",
"Mo",
"Pb"
] | 4 |
A2BC
|
Co2MoPb
|
Co2 Mo Pb
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.1943003,
-0.00252669,
0.01966499
],
[
2.39999214,
4.60660394,
-0.01966499
],
[
-3.35094045,
-3.03804319,
2.55394606
]
] |
agm004275381
|
[
[
-3.255738020257538,
-2.980326247390137,
2.55394606
],
[
1.3502639188381458,
1.89114308757379,
1.267140535
],
[
0.34783712785345333,
-0.7956410394969322,
2.55394606
],
[
2.8962542835659395,
-0.32318949568671984,
1.286805525
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Co",
"Co",
"Mo",
"Pb"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
5.6287127,
0.12243917,
-0.0174317
],
[
0.12243917,
5.5009823,
0.0287509
],
[
-0.0174317,
0.0287509,
5.448866
]
] | -26.423756 | -26.423756 |
[
1.506,
1.243,
0.491,
-0.004
] |
[
[
-0.00388317,
-0.00235419,
0
],
[
0.00171228,
0.00103808,
0
],
[
0.00133982,
0.00081227,
0
],
[
0.00083108,
0.00050384,
0
]
] | 3.259796 |
[
8.116,
8.171,
10.512,
12.222
] | 6.326067 |
pbe
| true |
7d7856979a3dc3952df9f793216f5870_44_Co2Mo1Pb1
| 44 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.1363887,
-0.01083481,
-0.00636431
],
[
8.66828552,
2.88696067,
-0.00636431
],
[
8.66828552,
1.40025478,
2.52465225
]
] |
agm004275382
|
[
[
19.854719805,
3.2072854800000004,
1.8839427225
],
[
26.180245047399648,
4.229096186097843,
2.484148988992254
],
[
13.52919456260035,
2.185474773902157,
1.2837364560077456
],
[
6.618239935,
1.06909516,
0.6279809075
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.5296345,
0.02528712,
0.01485352
],
[
0.02528712,
-4.68209,
0.0023994
],
[
0.01485352,
0.0023994,
-4.6847653
]
] | -21.790657 | -21.790657 |
[
-0.402,
-0.685,
-0.685,
-0.874
] |
[
[
0,
0,
0
],
[
-0.01443994,
-0.0023326,
-0.00137015
],
[
0.01443994,
0.0023326,
0.00137015
],
[
0,
0,
0
]
] | -2.690425 |
[
9.244,
14.418,
14.418,
13.223
] | 7.04324 |
pbe
| true |
c8a93904464ea0fb7b4cbcb3e86c2a81_166_La1Ni2Rh1
| 166 |
[
"Hg",
"Rh",
"Se"
] | 4 |
A2BC
|
HgRhSe2
|
Hg Rh Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.75629614,
0.01110109,
0.01889771
],
[
-1.69521207,
4.43911433,
0.01606439
],
[
1.36587935,
2.30280845,
3.92014251
]
] |
agm004275384
|
[
[
-0.16466636,
3.3709613899999997,
1.9681034499999999
],
[
1.5305420349999999,
2.22510771,
0.01748105
],
[
0,
0,
0
],
[
3.061087745,
1.15695477,
1.96952011
]
] |
[{"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": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Hg",
"Rh",
"Se",
"Se"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
4.5296397,
0.10902434,
0.18560477
],
[
0.10902286,
4.886697,
0.02481373
],
[
0.18560223,
0.02481373,
4.914358
]
] | -13.75457 | -13.75457 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
10.537,
13.289,
3.717,
3.717
] | 2.065685 |
pbe
| true |
51053238da14a5e817f5dad2b77085c7_139_Hg1Rh1Se2
| 12 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.26456518,
0.00094148,
-0.03154548
],
[
2.13282079,
3.69291112,
-0.03154548
],
[
2.15550554,
1.24458955,
4.76423712
]
] |
agm004275385
|
[
[
2.1442390056710514,
1.2380842517183526,
1.197521440992624
],
[
2.1498813152437983,
1.2413421214132854,
3.908377811849143
],
[
6.412643779797073,
3.7026624619628996,
3.477534511758814
],
[
4.278078704288077,
2.470163939905463,
3.232522595399419
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.7213676,
-0.05401747,
0.12811483
],
[
-0.05401747,
-3.6590044,
0.07397354
],
[
0.12811562,
0.073974,
-4.103608
]
] | -25.227748 | -25.227747 |
[
0,
0,
0.001,
0
] |
[
[
-0.00363179,
-0.002097,
-0.00332174
],
[
-0.00159731,
-0.00092229,
0.0025047
],
[
0.0036757,
0.00212235,
0.00291491
],
[
0.0015534,
0.00089694,
-0.00209786
]
] | 0.001554 |
[
8.588,
14.564,
14.508,
13.464
] | 2.623395 |
pbe
| true |
5db5246617a384e0b86ddf6d09eee31e_8_La1Ni2Rh1
| 8 |
[
"Hg",
"Se",
"Tc"
] | 4 |
A2BC
|
HgSe2Tc
|
Tc Hg Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.0462758,
0,
0
],
[
0,
3.0462758,
0
],
[
0,
0,
9.68470835
]
] |
agm004275386
|
[
[
1.5231379,
1.5231379,
7.263531262499999
],
[
0,
0,
0.867169366741501
],
[
0,
0,
3.9751849051055825
],
[
1.5231379,
1.5231379,
2.4211770875
]
] |
[{"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": "Tc", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Hg",
"Se",
"Se",
"Tc"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
2.277488,
0,
0
],
[
0,
2.277488,
0
],
[
0,
0,
2.4157405
]
] | -18.112458 | -18.112457 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00404421
],
[
0,
0,
-0.00404421
],
[
0,
0,
0
]
] | 0.000165 |
[
10.43,
3.787,
3.787,
11.328
] | 2.170291 |
pbe
| true |
76cc736d9cceb4ce66de8704c79d4d5a_123_Tc1Hg1Se2
| 123 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.53350303,
0,
0
],
[
2.26675152,
3.92612879,
0
],
[
2.26675152,
1.3087096,
3.70158972
]
] |
agm004275387
|
[
[
0,
0,
0
],
[
6.8002545525,
3.9261287925,
2.77619229
],
[
4.533503035,
2.617419195,
1.85079486
],
[
2.2667515175,
1.3087095975,
0.92539743
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.5670185,
0,
0
],
[
0,
7.5670185,
0
],
[
0,
0,
7.5670185
]
] | -16.376396 | -16.376396 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 |
[
9.562,
9.516,
2.287,
8.66
] | 1.502473 |
pbe
| true |
0aa4c19837e4ca738969d32fa45c0484_216_Ag2P1Pt1
| 216 |
[
"Ca",
"Pt",
"Se"
] | 4 |
A2BC
|
CaPtSe2
|
Ca Pt Se2
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.90015145,
0,
0
],
[
2.45007573,
4.24365564,
0
],
[
2.45007573,
1.41455188,
4.00095691
]
] |
agm004275388
|
[
[
4.900151455,
2.82910376,
2.000478455
],
[
0,
0,
0
],
[
7.350227182499999,
4.24365564,
3.0007176825000004
],
[
2.4500757275,
1.41455188,
1.0002392275
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ca",
"Se",
"Se",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
2.1803691,
0,
0
],
[
0,
2.1803691,
0
],
[
0,
0,
2.1803691
]
] | -16.063948 | -16.063948 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000065 |
[
8.187,
3.611,
3.758,
8.637
] | 5.133893 |
pbe
| true |
3e48cb6054f96e71a785fdd00f7ec8ad_216_Ca1Pt1Se2
| 216 |
[
"Hg",
"W",
"Zr"
] | 4 |
A2BC
|
HgWZr2
|
Zr2 Hg W
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.26049405,
0.00118335,
0.00069818
],
[
8.67169838,
3.24936897,
0.00069818
],
[
8.67169838,
1.57191093,
2.84385218
]
] |
agm004275389
|
[
[
6.650972702500001,
1.2056158125,
0.711312135
],
[
19.9529181075,
3.6168474375,
2.133936405
],
[
0.1948511529149696,
0.035320492437119995,
0.0208390555467264
],
[
13.10709425208503,
2.37591113256288,
1.4017852144532734
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zr"]}]
|
[
"Hg",
"W",
"Zr",
"Zr"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
6.100008,
-0.03371275,
-0.01989049
],
[
-0.03371275,
6.2798786,
-0.00360553
],
[
-0.01989049,
-0.00360553,
6.2838626
]
] | -29.792958 | -29.792957 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00576292,
-0.00104464,
-0.00061634
],
[
0.00576292,
0.00104464,
0.00061634
]
] | 0.000001 |
[
10.563,
10.078,
10.057,
10.057
] | 3.330019 |
pbe
| true |
c11ed22e052a80d9304d5701e1766434_166_Zr2Hg1W1
| 166 |
[
"As",
"La",
"Te"
] | 4 |
A2BC
|
As2LaTe
|
La Te As2
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.00375672,
-0.00444605,
0.00645257
],
[
2.75429576,
5.33467634,
0.01579858
],
[
-4.37085168,
-2.66548511,
3.11939885
]
] |
agm004275390
|
[
[
2.754395733248617,
5.333827087712397,
0.0157966446028509
],
[
0.008074586751383173,
0.0004792872876029364,
3.130526360397149
],
[
3.0059656400000008,
-0.002408007500000142,
1.5684884975
],
[
1.3812351600000001,
2.6671531874999994,
1.5731615025
]
] |
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}]
|
[
"As",
"As",
"Te",
"La"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
12.700632,
0.73155,
-0.06425049
],
[
0.7315498,
12.195419,
-0.09598504
],
[
-0.06425034,
-0.09598505,
11.42134
]
] | -19.865625 | -19.865625 |
[
0,
0,
0,
0.019
] |
[
[
0.00736258,
-0.00613226,
0.00154874
],
[
-0.00497032,
0.00747218,
-0.00157304
],
[
-0.00046625,
-0.00057428,
0.00031413
],
[
-0.00192601,
-0.00076564,
-0.00028983
]
] | 0.022197 |
[
2.614,
2.614,
3.425,
8.594
] | 2.315018 |
pbe
| true |
a2c7d7f84ef106040c9015c31c953659_12_La1Te1As2
| 2 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.439513,
0,
0
],
[
0,
3.842517,
0
],
[
0,
0,
3.842517
]
] |
agm004275391
|
[
[
0,
0,
0
],
[
0,
1.9212585,
1.9212585
],
[
2.2197565,
1.9212585,
0
],
[
2.2197565,
0,
1.9212585
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.787998,
0,
0
],
[
0,
7.544125,
0
],
[
0,
0,
7.544125
]
] | -16.397149 | -16.397148 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000006 |
[
9.544,
9.544,
2.301,
8.65
] | 2.490734 |
pbe
| true |
0aa4c19837e4ca738969d32fa45c0484_123_Ag2P1Pt1
| 123 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.85388555,
0,
0
],
[
0,
4.85388555,
0
],
[
0,
0,
2.86737532
]
] |
agm004275392
|
[
[
0,
0,
0
],
[
2.426942775,
2.426942775,
0
],
[
2.426942775,
0,
1.43368766
],
[
0,
2.426942775,
1.43368766
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.260289,
0,
0
],
[
0,
7.260289,
0
],
[
0,
0,
7.407738
]
] | -15.786458 | -15.786458 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 |
[
9.499,
9.499,
2.32,
8.68
] | 3.027824 |
pbe
| true |
a5f97c5977ba385f50b7145da39f312b_123_Ag2P1Pt1
| 123 |
[
"Cu",
"K",
"Zn"
] | 4 |
A2BC
|
CuK2Zn
|
K2 Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.92727263,
0.18910917,
-0.55942688
],
[
5.44064919,
4.29210959,
-0.55942688
],
[
2.3624534,
0.85597812,
4.64139734
]
] |
agm004275393
|
[
[
2.870638673557318,
1.0401068227206336,
1.3524381345644567
],
[
12.210776234919145,
4.42428083990367,
-1.029971003152989
],
[
11.23528210096125,
4.070834020222719,
2.533195041375784
],
[
8.146787740616974,
2.951792433405383,
1.3092993796102381
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.9362442,
-0.01837267,
0.07913466
],
[
-0.01837267,
-0.8921935,
0.02867254
],
[
0.07913493,
0.02867264,
-1.0066621
]
] | -6.771726 | -6.771727 |
[
0,
0,
0,
0
] |
[
[
-0.00365948,
-0.00132592,
-0.00111374
],
[
0.00119722,
0.00043378,
-0.00128817
],
[
0.00286804,
0.00103917,
-0.00302896
],
[
-0.00040578,
-0.00014703,
0.00543087
]
] | 0 |
[
15.35,
7.559,
7.557,
10.713
] | 1.531803 |
pbe
| true |
8b0b88a5c7fe81c81eeb52270cfc5e07_8_K2Zn1Cu1
| 8 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
9.02891883,
-1.45437069,
-0.02570798
],
[
9.02891883,
1.45437069,
-0.02570798
],
[
8.80179326,
0,
2.48307584
]
] |
agm004275394
|
[
[
20.23663362385253,
3.241548855874328e-17,
1.8320657583101745
],
[
6.622997296147471,
2.309566267251455e-17,
0.5995941216898256
],
[
13.42981546,
0,
1.21582994
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.0193152,
0,
0.00206527
],
[
0,
6.996503,
0
],
[
0.00206527,
0,
6.99669
]
] | -16.290454 | -16.290455 |
[
0,
0,
0,
0
] |
[
[
-0.0036159,
0,
-0.00032736
],
[
0.0036159,
0,
0.00032736
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000097 |
[
9.524,
9.524,
2.353,
8.568
] | 1.969208 |
pbe
| true |
bda9a65701e441bc3d365d82dbb87c0f_166_Ag2P1Pt1
| 166 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.02923135,
0,
0
],
[
0,
4.54037481,
0
],
[
0,
0,
4.79957001
]
] |
agm004275395
|
[
[
0,
0,
0
],
[
1.514615675,
2.270187405,
0
],
[
1.514615675,
0,
2.399785005
],
[
0,
2.270187405,
2.399785005
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
6.93698,
0,
0
],
[
0,
7.063067,
0
],
[
0,
0,
7.093663
]
] | -16.380937 | -16.380938 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
9.526,
9.562,
2.305,
8.627
] | 1.375371 |
pbe
| true |
6afe80ed98a298418400f99352a5bd8e_47_Ag2P1Pt1
| 47 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.80830933,
0.00010645,
0
],
[
1.22175536,
4.65050024,
0
],
[
-3.01502923,
-2.32530094,
2.93639454
]
] |
agm004275396
|
[
[
0,
0,
0
],
[
0.6108792375000001,
2.3252513225,
1.46819727
],
[
3.015032345,
2.325303345,
0
],
[
2.4041562225,
0.00005442750000006491,
1.46819727
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.5341053,
0.0420722,
0.00000792
],
[
0.0420722,
7.5120015,
0.00000611
],
[
0.00000792,
0.00000611,
7.4795794
]
] | -16.378775 | -16.378775 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 |
[
9.542,
9.531,
2.292,
8.653
] | 1.325358 |
pbe
| true |
0aa4c19837e4ca738969d32fa45c0484_119_Ag2P1Pt1
| 119 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
Ag2PPt
|
Ag2 P Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
8.60856604,
-0.01363701,
-0.00804916
],
[
8.04575005,
3.06161743,
-0.00804916
],
[
8.04575005,
1.47248848,
2.68427713
]
] |
agm004275397
|
[
[
0.1183103528026632,
0.021652503574731998,
0.012780256318442798
],
[
6.093116302693649,
1.115128299426069,
0.65819758188359
],
[
12.023423848430118,
2.200460244530611,
1.298808049913582
],
[
18.81524895307423,
3.443462347673277,
2.032482353566173
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.5,
0.25,
0.25
] |
[
[
7.0200624,
0.01615964,
0.00953813
],
[
0.01615964,
6.934723,
0.00174561
],
[
0.00953813,
0.00174561,
6.932796
]
] | -17.145696 | -17.145697 |
[
0,
0,
0,
0
] |
[
[
0.00277542,
0.00050794,
0.00029981
],
[
-0.00065917,
-0.00012064,
-0.00007121
],
[
0.00286367,
0.00052409,
0.00030934
],
[
-0.00497993,
-0.0009114,
-0.00053795
]
] | 0.000001 |
[
9.471,
9.448,
2.406,
8.863
] | 1.951602 |
pbe
| true |
6234fc82b87f492aeb7dedca11c46c6a_160_Ag2P1Pt1
| 160 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.59540296,
0,
0
],
[
0,
3.59540296,
0
],
[
0,
0,
5.24366088
]
] |
agm004275398
|
[
[
1.79770148,
1.79770148,
4.601492384641402
],
[
0,
0,
4.49782090924188
],
[
1.79770148,
1.79770148,
1.921476920165093
],
[
0,
0,
2.0883620383882344
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.402124,
0,
0
],
[
0,
4.402124,
0
],
[
0,
0,
4.5337124
]
] | -18.933432 | -18.933432 |
[
0,
0,
0,
0
] |
[
[
0,
0,
-0.00081366
],
[
0,
0,
0.00078024
],
[
0,
0,
0.00060239
],
[
0,
0,
-0.00056896
]
] | -0 |
[
9.57,
2.397,
2.361,
8.735
] | 2.600045 |
pbe
| true |
54d049430843825b4786140a072773fb_99_Ag1P2Pt1
| 99 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.46445286,
0,
0
],
[
0,
3.46653685,
0
],
[
0,
0,
5.61076144
]
] |
agm004275399
|
[
[
1.73222643,
1.733268425,
4.20807108
],
[
0,
0,
0.33229044504742883
],
[
0,
0,
2.4730902749525714
],
[
1.73222643,
1.733268425,
1.40269036
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.613746,
0,
0
],
[
0,
4.2709727,
0
],
[
0,
0,
4.3980308
]
] | -19.150761 | -19.15076 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.01131411
],
[
0,
0,
-0.01131411
],
[
0,
0,
0
]
] | 0 |
[
9.462,
2.38,
2.38,
8.751
] | 1.182851 |
pbe
| true |
2af5388680df5e11e803a1fa355530d8_123_Ag1P2Pt1
| 47 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.04375006,
0,
0
],
[
0,
3.04375006,
0
],
[
0,
0,
6.95166568
]
] |
agm004275400
|
[
[
1.52187503,
1.52187503,
5.21374926
],
[
0,
0,
0.1939680174363184
],
[
0,
0,
3.2818648225636813
],
[
1.52187503,
1.52187503,
1.73791642
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.061312,
0,
0
],
[
0,
5.061312,
0
],
[
0,
0,
4.7121625
]
] | -18.852726 | -18.852726 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0.00092629
],
[
0,
0,
-0.00092629
],
[
0,
0,
0
]
] | -0.000001 |
[
9.458,
2.347,
2.347,
8.727
] | 1.06038 |
pbe
| true |
8f94a71f7ba0f5235a8d80faf43b4650_123_Ag1P2Pt1
| 123 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.38405282,
-0.26229534,
0
],
[
-0.33555698,
4.37905463,
0
],
[
0,
0,
3.30248965
]
] |
agm004275401
|
[
[
-0.16777849,
2.189527315,
1.651244825
],
[
0,
0,
0
],
[
2.02424792,
2.058379645,
0
],
[
2.19202641,
-0.13114767,
1.651244825
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.997783,
-0.16688569,
0
],
[
-0.16688569,
4.992202,
0
],
[
0,
0,
5.022289
]
] | -18.55926 | -18.55926 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 |
[
9.519,
2.335,
2.335,
8.647
] | 1.489981 |
pbe
| true |
8f94a71f7ba0f5235a8d80faf43b4650_65_Ag1P2Pt1
| 65 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.51102952,
0,
0
],
[
0,
2.75627888,
-0.0060294
],
[
0,
0.01989454,
5.19326805
]
] |
agm004275402
|
[
[
2.25551476,
2.045517239576146,
4.041723354755562
],
[
0,
0.7188326893946245,
4.9619761028745035
],
[
2.25551476,
0.709424784415127,
1.5090410447225926
],
[
0,
0.7103799290513142,
2.4613855227076367
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.472581,
0,
0
],
[
0,
5.3640366,
-0.05454498
],
[
0,
-0.05454493,
4.9297237
]
] | -18.953577 | -18.953577 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00094498,
-0.00044264
],
[
0,
-0.00146066,
0.00040028
],
[
0,
0.00008474,
0.00133044
],
[
0,
0.0023209,
-0.00128808
]
] | 0 |
[
9.508,
2.341,
2.346,
8.773
] | 1.815624 |
pbe
| true |
88eba18e144a6bf2fc1b2676a358c5ae_6_Ag1P2Pt1
| 6 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
5.81478356,
-0.01024878,
0.07534547
],
[
3.12993066,
4.90054555,
-0.07534549
],
[
-3.87123339,
-3.54464763,
2.50330079
]
] |
agm004275403
|
[
[
3.2079536399999995,
-0.5548740125,
1.289323125
],
[
-3.375004795802794,
-3.273347169001679,
2.503300788890454
],
[
3.976128515802794,
2.173847924001679,
-8.890454001256874e-9
],
[
1.8655271900000001,
1.9005231525000004,
1.213977645
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
4.71322,
0.10947557,
-0.11313646
],
[
0.10947557,
4.572834,
0.2069358
],
[
-0.11313646,
0.2069358,
4.733428
]
] | -18.924857 | -18.924858 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00352116,
0.00192511,
0
],
[
-0.00352116,
-0.00192511,
0
],
[
0,
0,
0
]
] | 0 |
[
9.501,
2.335,
2.335,
8.884
] | 1.296263 |
pbe
| true |
8f94a71f7ba0f5235a8d80faf43b4650_71_Ag1P2Pt1
| 71 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54672461,
0,
0
],
[
2.27336231,
3.93757902,
0
],
[
2.27336231,
1.31252634,
3.7123851
]
] |
agm004275404
|
[
[
4.546724615,
2.62505268,
1.85619255
],
[
0,
0,
0
],
[
2.2733623075,
1.31252634,
0.928096275
],
[
6.8200869225,
3.93757902,
2.784288825
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.869946,
0,
0
],
[
0,
-4.869946,
0
],
[
0,
0,
-4.869946
]
] | -24.136129 | -24.13613 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000009 |
[
8.908,
14.448,
14.524,
13.471
] | 0.967363 |
pbe
| true |
82abd7672ced75556e95388ca01b7547_216_La1Ni2Rh1
| 216 |
[
"La",
"Ni",
"Rh"
] | 4 |
A2BC
|
LaNi2Rh
|
La Ni2 Rh
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.8560673,
-0.01292554,
-0.08281891
],
[
1.42554938,
4.6421296,
0.08281895
],
[
-3.08460516,
-2.39086425,
2.89091608
]
] |
agm004275405
|
[
[
0.7360712201368009,
2.2793926266463433,
1.4868675249694026
],
[
3.189839861052611,
2.2330546940167384,
2.8909161199543325
],
[
2.46693333907292,
-0.03663627822086002,
1.40404859506876
],
[
3.1419869597376686,
2.315470607557778,
2.0007505204252374e-8
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"La",
"Ni",
"Ni",
"Rh"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-4.7477026,
-0.03886958,
-0.01081713
],
[
-0.03886958,
-4.7236032,
0.01467358
],
[
-0.01081713,
0.01467358,
-4.692725
]
] | -24.312157 | -24.312157 |
[
0,
0,
0,
0
] |
[
[
0.00552663,
0.00407282,
0
],
[
-0.00277356,
-0.00204396,
0
],
[
-0.00620328,
-0.00457147,
0
],
[
0.00345021,
0.00254261,
0
]
] | 0 |
[
8.944,
14.509,
14.494,
13.43
] | 3.720378 |
pbe
| true |
70f9671c7431134c3ae4d5699f41065b_44_La1Ni2Rh1
| 44 |
[
"Cu",
"K",
"Zn"
] | 4 |
A2BC
|
CuK2Zn
|
K2 Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.19654825,
0,
0
],
[
0,
3.95508283,
0.00409307
],
[
0,
3.96095742,
8.12989718
]
] |
agm004275406
|
[
[
2.098274125,
5.9370301875,
6.1004926875
],
[
0,
3.959968689598126,
7.989573375745909
],
[
0,
3.959008855401874,
4.207318929254091
],
[
2.098274125,
1.9790100625,
2.0334975625
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-3.4284496,
0,
0
],
[
0,
0.65045345,
-0.17308988
],
[
0,
-0.1730899,
-0.05665022
]
] | -6.256272 | -6.256272 |
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0.00042468,
-0.0014903
],
[
0,
-0.00042468,
0.0014903
],
[
0,
0,
0
]
] | 0.000005 |
[
15.368,
7.566,
7.566,
10.622
] | 1.176083 |
pbe
| true |
b87ab8ed26f939532d76fc71721de80b_47_K2Zn1Cu1
| 10 |
[
"Cu",
"K",
"Zn"
] | 4 |
A2BC
|
CuK2Zn
|
K2 Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.49043047,
0,
0
],
[
0,
5.12978287,
0.03751752
],
[
0,
2.51054894,
6.07730169
]
] |
agm004275408
|
[
[
2.245215235,
4.768797175212327,
4.313121302415282
],
[
0,
7.325393754328227,
5.6294561731995705
],
[
2.245215235,
2.226091565772894,
2.0217714927054655
],
[
0,
4.780547029686552,
3.322699056679681
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
-0.90069115,
0,
0
],
[
0,
-0.86444646,
0.08307794
],
[
0,
0.08307788,
-0.9835707
]
] | -6.917717 | -6.917717 |
[
0,
0,
0,
0
] |
[
[
0,
-0.00012816,
-0.00638158
],
[
0,
-0.0003409,
0.00102383
],
[
0,
-0.00084874,
0.00225142
],
[
0,
0.0013178,
0.00310633
]
] | 0 |
[
15.351,
7.558,
7.558,
10.712
] | 1.340103 |
pbe
| true |
8b0b88a5c7fe81c81eeb52270cfc5e07_38_K2Zn1Cu1
| 6 |
[
"Ag",
"P",
"Pt"
] | 4 |
A2BC
|
AgP2Pt
|
Ag P2 Pt
| 3 |
[
1,
1,
1
] | 3 |
[
[
7.19957527,
-0.02366638,
-0.01414281
],
[
6.47009583,
3.15789552,
-0.01414281
],
[
6.47009583,
1.48348579,
2.78779017
]
] |
agm004275409
|
[
[
14.981159375438368,
3.4349316730981267,
2.052684005951271
],
[
19.864992436662575,
4.554713690478336,
2.7218555808126212
],
[
5.129934769781062,
1.1762090623331818,
0.7028918650159396
],
[
10.373330743117995,
2.3784328990903547,
1.4213299232201684
]
] |
[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"P",
"P",
"Pt"
] |
2023-11-16 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
5.121467,
-0.08859976,
-0.05294641
],
[
-0.08859976,
5.4875727,
-0.01213974
],
[
-0.05294641,
-0.01213974,
5.500633
]
] | -19.571695 | -19.571695 |
[
0,
0,
0,
0
] |
[
[
0.00194502,
0.00044596,
0.0002665
],
[
-0.00430947,
-0.00098809,
-0.00059047
],
[
0.00341824,
0.00078375,
0.00046836
],
[
-0.00105379,
-0.00024162,
-0.00014439
]
] | 0.000001 |
[
9.486,
2.437,
2.382,
8.769
] | 1.014383 |
pbe
| true |
af181015d864df5e7bcdd1dace9b9e83_160_Ag1P2Pt1
| 160 |
[
"Au",
"Br",
"Rh"
] | 4 |
A2BC
|
AuBrRh2
|
Rh2 Au Br
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.60087313,
0,
0
],
[
2.30043656,
3.98447301,
0
],
[
2.30043656,
1.32815767,
3.75659718
]
] |
agm004275410
|
[
[
0,
0,
0
],
[
2.3004365625,
1.32815767,
0.939149295
],
[
4.600873125,
2.65631534,
1.87829859
],
[
6.9013096875,
3.98447301,
2.817447885
]
] |
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Rh",
"Rh",
"Au",
"Br"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
8.571411,
0,
0
],
[
0,
8.571411,
0
],
[
0,
0,
8.571411
]
] | -16.732138 | -16.732138 |
[
0.711,
0.587,
0.035,
0.027
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.392301 |
[
13.207,
13.249,
9.633,
4.744
] | 5.705013 |
pbe
| true |
eb678bc36867c260a6bec2cb7e9416ef_216_Rh2Au1Br1
| 216 |
[
"Cu",
"K",
"Zn"
] | 3 |
ABC
|
CuKZn
|
K Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
6.46161173,
0.28534657,
-0.25214027
],
[
4.39987403,
4.74077512,
0.25214007
],
[
-5.07271233,
-3.28677162,
2.31563045
]
] |
agm004275411
|
[
[
10.16344478945977,
4.703105213243058,
-1.871464920136905e-7
],
[
2.1659155138742463,
0.0628828578358469,
2.315630316710172
],
[
-0.7518135079501329,
-1.2872879339323695,
2.3156303729577226
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-1.482274,
0.23025209,
-0.00334087
],
[
0.23025209,
-1.8733016,
0.00722334
],
[
-0.00334087,
0.00722334,
-1.9720538
]
] | -5.92206 | -5.92206 |
[
0,
0,
0
] |
[
[
-0.00516361,
-0.00238945,
0
],
[
0.0051793,
0.0023967,
0
],
[
-0.00001568,
-0.00000726,
0
]
] | 0 |
[
15.325,
7.584,
10.742
] | 1.204061 |
pbe
| true |
ad1917ab75e8a1c3bc815ca5b9358bf9_44_K1Zn1Cu1
| 44 |
[
"Cu",
"K",
"Zn"
] | 3 |
ABC
|
CuKZn
|
K Zn Cu
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.32413176,
0,
0
],
[
-2.16206588,
3.74480795,
0
],
[
0,
0,
4.99060795
]
] |
agm004275412
|
[
[
0,
0,
4.159083084117298
],
[
2.162065901620659,
1.2482693041839734,
1.663429716654718
],
[
-2.16206589967978e-8,
2.4965386458160266,
4.158703099227985
]
] |
[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Cu",
"K",
"Zn"
] |
2023-11-16 00:00:00
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-1.2063752,
0,
0
],
[
0,
-1.2063752,
0
],
[
0,
0,
-1.3202227
]
] | -5.882933 | -5.882933 |
[
0,
0,
0
] |
[
[
0,
0,
0.02010505
],
[
0,
0,
-0.00971004
],
[
0,
0,
-0.010395
]
] | 0 |
[
15.354,
7.567,
10.727
] | 1.005037 |
pbe
| true |
b7f808645ae4d10988df0fbc3ec79d4e_187_K1Zn1Cu1
| 156 |
[
"K",
"Se",
"W"
] | 4 |
A2BC
|
KSeW2
|
K W2 Se
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.18784067,
0,
0
],
[
0,
3.36024367,
0.00799192
],
[
0,
1.65381939,
8.62559817
]
] |
agm004275414
|
[
[
0,
2.713625462005908,
4.487129750116994
],
[
1.593920335,
4.392650122277945,
6.794994358552218
],
[
0,
2.730367369538571,
0.2151096737370422
],
[
1.593920335,
1.0446952896393822,
1.4611431863377646
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1.0], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"K",
"Se",
"W",
"W"
] |
2023-11-16 00:00:00
|
[
0.25,
0.25,
0.5
] |
[
[
3.7821972,
0,
0
],
[
0,
3.4360695,
0.06688035
],
[
0,
0.06688029,
3.380212
]
] | -28.806461 | -28.806461 |
[
0,
0,
0,
0
] |
[
[
0,
0.00392974,
-0.00150416
],
[
0,
-0.00404874,
0.00672211
],
[
0,
-0.00378824,
-0.01050017
],
[
0,
0.00390724,
0.00528222
]
] | -0.000008 |
[
7.599,
3.854,
10.127,
10.075
] | 3.031387 |
pbe
| true |
86fdad1d305897d20b5df0045ed9f374_6_K1W2Se1
| 6 |
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