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A2B2C
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In1 Ge2 S2
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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AB
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LuRh
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[
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2023-11-16 06:57:59
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pbe
| true
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bf99ce2fe4704fdbfe679610e4db97d2_63_Lu2Rh2
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[
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A6BCD
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LaNbO6Te
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La4 Nb4 O24 Te4
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mp-557784
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2014-03-06 05:14:51
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pbe
| true
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d5fe3e1b1aaa167a4eb5dcce9155877d_2_La4Nb4Te4O24
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[
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A2BCD
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LaNbOs2Ta
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[
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2023-11-16 06:57:59
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pbe
| true
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c5c0768871fac46562ae2608830ad79a_119_La1Ta1Nb1Os2
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[
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A4B
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MgTi4
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Mg1 Ti4
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[
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4.7426921,
0
],
[
0,
0,
4.7426921
]
] |
agm006182012
|
[
[
2.37134605,
2.37134605,
2.37134605
],
[
0,
0,
0
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[
2.37134605,
0,
2.37134605
],
[
0,
2.37134605,
2.37134605
],
[
2.37134605,
2.37134605,
0
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Mg",
"Ti",
"Ti",
"Ti",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.2,
0.8
] |
[
[
2.8065622,
0,
0
],
[
0,
2.8065622,
0
],
[
0,
0,
2.8065622
]
] | -26.514981
|
[
0.039,
1.082,
0.412,
0.412,
0.412
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.261412
| 9.053848
|
pbe
| true
|
663d693237b42f41946d6ad89eb52e3f_221_Mg1Ti4
|
[
"Ge",
"La",
"Pu"
] | 8
|
A2BC
|
Ge2LaPu
|
La2 Pu2 Ge4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.03411514,
0,
0
],
[
0,
5.9928257,
0
],
[
0,
0,
8.41315391
]
] |
agm005770531
|
[
[
0,
0.8214171420154749,
5.737533883942817
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[
0,
5.171408557984525,
1.5309569289428162
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[
2.01705757,
2.1823930722438343,
2.6706990882036856
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[
2.01705757,
3.8104326277561658,
6.877276043203686
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[
0,
3.675013284767579,
4.490591317560727
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[
0,
2.317812415232421,
0.2840143625607267
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[
2.01705757,
5.263233809557546,
3.9274920275782206
],
[
2.01705757,
0.729591890442454,
8.13406898257822
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"La",
"La",
"Pu",
"Pu",
"Ge",
"Ge",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.8569744,
0,
0
],
[
0,
1.6605521,
0
],
[
0,
0,
1.6610471
]
] | -61.85062
|
[
0.209,
0.209,
5.499,
5.499,
-0.02,
-0.02,
-0.003,
-0.003
] |
[
[
0,
0.00269806,
0.00253573
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[
0,
-0.00269806,
0.00253573
],
[
0,
0.00170728,
-0.00125617
],
[
0,
-0.00170728,
-0.00125617
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[
0,
0.00139977,
-0.00858414
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[
0,
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-0.00858414
],
[
0,
0.00221717,
0.00730457
],
[
0,
-0.00221717,
0.00730457
]
] | 13.136004
| 21.57155
|
pbe
| true
|
8651ec16f30086857dc187966a57a8b4_26_La2Pu2Ge4
|
[
"Ge",
"La",
"Rb"
] | 8
|
A2BC
|
GeLa2Rb
|
Rb2 La4 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
9.24976947,
0,
0
],
[
0,
9.24976947,
0
],
[
4.62488474,
4.62488474,
3.67942538
]
] |
agm002833880
|
[
[
4.624884735,
4.624884735,
0
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[
4.6248847375,
9.2497694725,
1.83971269
],
[
0,
0,
0
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[
9.2497694725,
4.6248847375,
1.83971269
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[
6.3215026118103586,
2.31244236875,
0.919856345
],
[
2.9282668606896416,
6.93732710375,
0.919856345
],
[
6.93732710625,
7.5531515981896415,
2.759569035
],
[
11.562211841249999,
10.946387349310358,
2.759569035
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
|
[
"Ge",
"Ge",
"Rb",
"Rb",
"La",
"La",
"La",
"La"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.6291622,
0,
0
],
[
0,
0.6291622,
0
],
[
0,
0,
0.71457815
]
] | -30.20162
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
-0.00725255,
0,
0
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[
0.00725255,
0,
0
],
[
0,
0.00725255,
0
],
[
0,
-0.00725255,
0
]
] | 0.000399
| 10.24353
|
pbe
| true
|
dd52b32c64273e058ae306aeb3cb4268_122_Rb2La4Ge2
|
[
"Mo",
"V"
] | 4
|
A3B
|
Mo3V
|
V1 Mo3
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.41501377,
0,
0
],
[
2.20750688,
3.82351408,
0
],
[
2.20750688,
1.27450469,
3.60484365
]
] |
agm002245507
|
[
[
0,
0,
0
],
[
4.415013765,
2.5490093849999997,
1.802421825
],
[
2.2075068825,
1.2745046924999999,
0.9012109125
],
[
6.6225206475,
3.8235140775,
2.7036327375
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Mo",
"Mo",
"Mo",
"V"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
6.495012,
0,
0
],
[
0,
6.495012,
-1e-8
],
[
0,
-1e-8,
6.495012
]
] | -42.02077
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 2.065074
|
pbe
| true
|
9c7f1e720870c1a26b68eb60a6954f7b_225_V1Mo3
|
[
"Mo",
"W"
] | 4
|
A3B
|
Mo3W
|
Mo3 W1
| 2
|
[
1,
1,
1
] | 3
|
[
[
2.76792357,
0,
0
],
[
-1.38396179,
2.39709213,
0
],
[
0,
0,
9.82169239
]
] |
agm003877141
|
[
[
0,
0,
0.0086716704280549
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[
0,
0,
4.9021745245719455
],
[
-1.7172951233681102e-8,
1.5980614279903071,
2.4554230975
],
[
-1.7172951233681102e-8,
1.5980614279903071,
7.3662692925
]
] |
[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Mo",
"Mo",
"Mo",
"W"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
11.188203,
0,
0
],
[
0,
11.188203,
0
],
[
0,
0,
9.192796
]
] | -43.725872
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0.00530649
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[
0,
0,
-0.00530649
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 4.496002
|
pbe
| true
|
e3e403074eab3673423abbd11b241e55_187_Mo3W1
|
[
"N",
"Sm"
] | 4
|
AB
|
NSm
|
Sm2 N2
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.6800406,
0,
0
],
[
0,
4.00030209,
0
],
[
0,
0,
16.59001039
]
] |
agm2000006394
|
[
[
3.1388027031479115,
0.5902252519204053,
7.499999952303718
],
[
0.7988518549504159,
2.589994788110082,
9.090010271796176
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[
3.1387085407310398,
2.590251007458946,
8.625955164767511
],
[
0.798809500582986,
0.5897498160170088,
7.964055557032695
]
] |
[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Sm",
"Sm",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.11294017,
0,
0
],
[
0,
0.1358095,
0.01019124
],
[
0,
0.01018059,
-0.1255646
]
] | -29.695003
|
[
0,
0,
0,
0
] |
[
[
0,
-0.00183767,
-0.00315405
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[
0,
0.00183767,
0.00315405
],
[
0,
-0.0014568,
-0.00062655
],
[
0,
0.0014568,
0.00062655
]
] | -0.000002
| 0.635835
|
pbe
| true
|
4f7e924709bd474c3ec92e2dd3519137_59_Sm2N2
|
[
"N",
"Ta"
] | 3
|
A2B
|
NTa2
|
N1 Ta2
| 2
|
[
1,
1,
1
] | 3
|
[
[
1.55191023,
-2.68798679,
0
],
[
1.55191023,
2.68798679,
0
],
[
0,
0,
4.89035539
]
] |
mp-10196
|
[
[
1.5519102300000003,
-0.89599738865786,
3.6427903238379766
],
[
1.5519102300000003,
0.89599738865786,
1.2475650661620237
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
|
[
"Ta",
"Ta",
"N"
] |
2023-03-11 06:13:55
|
[
0.3333333333333333,
0.6666666666666666
] |
[
[
-0.11332737,
0,
0
],
[
0,
-0.11332732,
0
],
[
0,
0,
0.06632711
]
] | -34.46974
|
[
0,
0,
0
] |
[
[
0,
0,
0.00016318
],
[
0,
0,
-0.00016318
],
[
0,
0,
0
]
] | 0
| 7.467141
|
pbe
| true
|
d45092864403e753bf28a74af4be44ac_164_Ta2N1
|
[
"Ge",
"La",
"S"
] | 4
|
A2BC
|
GeLaS2
|
La1 Ge1 S2
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.42176491,
0,
8.19785296
],
[
-1.21088246,
2.09730993,
8.19785296
],
[
-1.21088246,
-2.09730993,
8.19785296
]
] |
agm002780033
|
[
[
0,
0,
0
],
[
-8.956948958401447e-9,
-3.5158558799361124e-17,
22.02832452385895
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[
-1.0430513197439158e-9,
4.702090063465648e-18,
2.565234356141054
],
[
-5.00000019165725e-9,
0,
12.296779440000002
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
|
[
"Ge",
"S",
"S",
"La"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.8297453,
0,
0
],
[
0,
2.8297453,
0
],
[
0,
0,
2.7818317
]
] | -21.835928
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.0037341
],
[
0,
0,
0.0037341
],
[
0,
0,
0
]
] | 0.000001
| 1.97934
|
pbe
| true
|
3bd743f927adf5a90aa8e913bdf27487_166_La1Ge1S2
|
[
"N",
"Tb"
] | 4
|
AB
|
NTb
|
Tb2 N2
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.93506394,
-0.00168457,
0
],
[
0.00197804,
4.61949546,
0
],
[
0,
0,
16.45790405
]
] |
agm2000011474
|
[
[
0.08675629638518019,
0.6610408683484184,
8.957916537978313
],
[
2.0552426064849465,
2.9699183340469926,
7.500012363456802
],
[
0.08801660626522939,
2.970987628697135,
8.592664298448177
],
[
2.0544445057240246,
0.6603308188378094,
7.865214900116706
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Tb",
"Tb",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.09998479,
-0.00000287,
0
],
[
-0.00000287,
0.09326214,
0
],
[
0,
0,
-0.17426887
]
] | -29.90276
|
[
0,
0,
0,
0
] |
[
[
-0.00210025,
9e-7,
-0.00191124
],
[
-0.00210025,
9e-7,
0.00191124
],
[
0.00210025,
-9e-7,
-0.00300019
],
[
0.00210025,
-9e-7,
0.00300019
]
] | 0
| 0.448481
|
pbe
| true
|
416495204d414185f167d87a575e88fc_59_Tb2N2
|
[
"Ge",
"La",
"Sr"
] | 4
|
A2BC
|
Ge2LaSr
|
Sr1 La1 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.7796661,
0,
0
],
[
0,
5.38652171,
0
],
[
0,
0,
5.38652171
]
] |
agm001241839
|
[
[
1.88983305,
2.693260855,
2.693260855
],
[
0,
0,
2.693260855
],
[
0,
2.693260855,
0
],
[
1.88983305,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Ge",
"Ge",
"La"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
1.3530831,
0,
0
],
[
0,
1.0948788,
0
],
[
0,
0,
1.0948788
]
] | -17.950718
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0
| 2.29603
|
pbe
| true
|
832e230339842fd4f4be223a976b392f_123_Sr1La1Ge2
|
[
"N",
"Te"
] | 3
|
A2B
|
N2Te
|
Te1 N2
| 2
|
[
1,
1,
1
] | 3
|
[
[
2.86807734,
-0.16485907,
-1.06236994
],
[
-0.2780632,
2.81910603,
-1.16781118
],
[
-1.86453462,
-1.71637091,
11.68291665
]
] |
agm005541634
|
[
[
-0.683942693349847,
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9.392886111424266
],
[
1.3491083264201118,
1.931040129373835,
1.9756867946043177
],
[
-0.8173932817244647,
-0.26906202047043165,
5.129734515494715
]
] |
[{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"Te",
"N",
"N"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
0.3333333333333333
] |
[
[
0.37193516,
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[
-0.13515155,
0.3206254,
-0.1902215
],
[
-0.47060144,
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1.2148628
]
] | -19.468667
|
[
0,
0,
0
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[
[
0.00049963,
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-0.00007074
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[
0.00423326,
0.0041805,
0.00954131
],
[
-0.00473289,
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-0.00947056
]
] | 0
| 0.610039
|
pbe
| true
|
1774e41e951a23b8b5a0b66d23ab3770_5_Te1N2
|
[
"Ge",
"La",
"Sr"
] | 4
|
A2BC
|
Ge2LaSr
|
Sr1 La1 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.36707722,
0,
0
],
[
2.68353861,
4.64802522,
0
],
[
2.68353861,
1.54934174,
4.3822002
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] |
agm002277334
|
[
[
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4.64802522,
3.28665015
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[
0,
0,
0
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[
5.36707722,
3.09868348,
2.1911001
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[
2.68353861,
1.54934174,
1.09555005
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Ge",
"Ge",
"La"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
0.46208644,
0,
0
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[
0,
0.46208644,
0
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[
0,
0,
0.46208644
]
] | -17.898174
|
[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0
| 2.464026
|
pbe
| true
|
6013d630ab500dc9efad0848eae31ff0_225_Sr1La1Ge2
|
[
"Na",
"P"
] | 4
|
A3B
|
Na3P
|
Na3 P1
| 2
|
[
1,
1,
1
] | 3
|
[
[
6.10279812,
0.01971753,
0
],
[
-2.16144112,
2.88496978,
0
],
[
0,
0,
19.27589196
]
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agm2000005930
|
[
[
0.233087831650154,
2.87146107884948,
9.638101150930279
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1.3121434623960642,
1.4274961737836827,
11.77585404765772
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1.3122825150244344,
1.4282337529948488,
7.499962158086877
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[
3.2840024803874592,
2.881461950999147,
9.637866563325124
]
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Na",
"Na",
"Na"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
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[
[
0.09236805,
0.07016013,
-0.00053062
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[
0.07016012,
0.15913042,
0.00719715
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[
-0.00053062,
0.0071971,
-0.2508961
]
] | -9.431395
|
[
0,
0,
0,
0
] |
[
[
0.00001602,
0.00014692,
-0.000795
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[
0.00057187,
0.00087047,
-0.00821046
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[
0.00064512,
0.00002592,
0.00882827
],
[
-0.00123301,
-0.00104331,
0.00017719
]
] | 0.000002
| 0.956357
|
pbe
| true
|
4f867974a367c9d9e479f9e5935460bd_47_Na3P1
|
[
"Ni",
"Ta"
] | 4
|
AB
|
NiTa
|
Ni1 Ta1
| 2
|
[
1,
1,
1
] | 3
|
[
[
4.409057,
0,
0
],
[
0,
2.804727,
0
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[
0,
0,
4.637019
]
] |
oqmd-4120704
|
[
[
1.1022600000000002,
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0.840569999999999
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[
3.3067900000000003,
0,
3.796450000000001
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[
3.3067900000000003,
1.4023599999999994,
1.3623099999999992
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[
1.1022600000000002,
1.4023599999999994,
3.2747100000000007
]
] |
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
|
[
"Ni",
"Ni",
"Ta",
"Ta"
] |
2024-11-01 00:00:00
|
[
0.5,
0.5
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[
[
2.60153,
0,
0
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[
0,
-9.0235,
0
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[
0,
0,
19.19115
]
] | -35.4807
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[
0.03,
0.03,
0.046,
0.046
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[
[
0,
0,
-0.003259
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[
0,
0,
0.003259
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[
0,
0,
0.057872
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[
0,
0,
-0.057872
]
] | 0.183699
| null |
pbe
| true
|
4db7e4c99cac13395389f5e1bf950754_51_Ta2Ni2
|
[
"La",
"Nd",
"Pr",
"Y"
] | 20
|
A6B2CD
|
La2Nd6PrY
|
La4 Pr2 Nd12 Y2
| 4
|
[
1,
1,
1
] | 3
|
[
[
9.61014772,
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-2.32325088
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[
0.70990695,
8.72573536,
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[
0.70990695,
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8.64320234
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agm004977610
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[
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3.3919817625282858
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0.7363973347692072,
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3.272015806965812
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8.019373801508879,
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1.1330399074513353,
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4.2193991482985576,
2.84600375709289,
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1.7064851955306386
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3.6055158658952533
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[
3.1124438800000003,
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3.7203636227347343
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[
7.917517740000001,
2.540677946340972,
0.5344035772652661
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] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"La",
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"La",
"Pr",
"Pr",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Y",
"Y"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.1,
0.1
] |
[
[
1.0656041,
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[
-0.0095355,
1.0455111,
0.00490405
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[
-0.0098957,
0.00490405,
1.045875
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[
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0,
0,
0,
0,
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0
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[
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0.00122065
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[
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0.00040094,
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0.00263428
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[
0,
0.00189342,
-0.0018245
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[
0,
-0.00189342,
0.0018245
]
] | 0.000025
| 30.325499
|
pbe
| true
|
7127fce2ba739212a99d2808db2eb63f_15_La4Pr2Nd12Y2
|
[
"Ge",
"La",
"V"
] | 4
|
A2BC
|
Ge2LaV
|
La1 V1 Ge2
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.46667781,
3.46667781
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[
3.46667781,
0,
3.46667781
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[
3.46667781,
3.46667781,
0
]
] |
agm002748533
|
[
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1.733338905,
1.733338905,
1.733338905
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[
5.200016715,
5.200016715,
5.200016715
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[
3.46667781,
3.46667781,
3.46667781
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Ge",
"Ge",
"La",
"V"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
4.348258,
0,
0
],
[
0,
4.348258,
0
],
[
0,
0,
4.348258
]
] | -24.121007
|
[
-0.013,
-0.013,
0.037,
2.374
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.923987
| 1.508786
|
pbe
| true
|
a43be3a15b82dc803c76ec9a348c3162_225_La1V1Ge2
|
[
"Ge",
"Li",
"S"
] | 5
|
A3BC
|
GeLi3S
|
Li3 Ge1 S1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.55476306,
0,
0
],
[
0,
4.55476306,
0
],
[
0,
0,
4.55476306
]
] |
agm002516175
|
[
[
2.27738153,
2.27738153,
2.27738153
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[
0,
0,
0
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[
0,
2.27738153,
0
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[
0,
0,
2.27738153
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[
2.27738153,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
|
[
"Ge",
"S",
"Li",
"Li",
"Li"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
1.7623544,
0,
0
],
[
0,
1.7623544,
0
],
[
0,
0,
1.7623544
]
] | -16.643892
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001
| 2.771049
|
pbe
| true
|
3e97e73d12b671a72a1c18af110b7957_221_Li3Ge1S1
|
[
"Ge",
"La",
"Zn"
] | 5
|
A3BC
|
Ge3LaZn
|
La1 Zn1 Ge3
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.72299738,
0,
0
],
[
0,
5.72299738,
0
],
[
0,
0,
5.72299738
]
] |
agm002627232
|
[
[
0,
2.86149869,
0
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[
0,
0,
2.86149869
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[
2.86149869,
0,
0
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[
2.86149869,
2.86149869,
2.86149869
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Ge",
"Ge",
"Ge",
"Zn",
"La"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
0.4817526,
0,
0
],
[
0,
0.4817526,
0
],
[
0,
0,
0.4817526
]
] | -15.104279
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002
| 5.232552
|
pbe
| true
|
f26d2c866459f24e71cb2ef18a10c7f0_221_La1Zn1Ge3
|
[
"Be",
"Cr",
"Ir"
] | 5
|
A3BC
|
BeCr3Ir
|
Be1 Cr3 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.7020121,
0,
0
],
[
0,
4.7020121,
0
],
[
0,
0,
4.7020121
]
] |
agm002414385
|
[
[
0,
2.35100605,
0
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[
0,
0,
2.35100605
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[
2.35100605,
0,
0
],
[
0,
0,
0
],
[
2.35100605,
2.35100605,
2.35100605
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Cr",
"Cr",
"Cr",
"Ir",
"Be"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
2.9730003,
0,
0
],
[
0,
2.9730003,
0
],
[
0,
0,
2.9730003
]
] | -33.836663
|
[
3.195,
2.737,
3.464,
-0.26,
-0.082
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 9.763912
| 5.791839
|
pbe
| true
|
7153790c268bd9dc809030d1ad07dae6_221_Be1Cr3Ir1
|
[
"Cs",
"N"
] | 8
|
A3B
|
Cs3N
|
Cs6 N2
| 2
|
[
1,
1,
1
] | 3
|
[
[
17.26513185,
0,
0
],
[
-8.63256593,
14.95204278,
0
],
[
0,
0,
7.57931936
]
] |
agm1000019342
|
[
[
6.27733113494602,
6.342393540843499,
0.20611398129887362
],
[
4.315922290638512,
9.740178426967274,
0.20656282859137282
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[
2.3547944386238524,
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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1a07d0c4d5822608542fa9440b3ce561_2_La10Re6Ni2O32
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A12B4C3D
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LaNi3O12Se4
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La1 Ni3 Se4 O12
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2023-11-16 06:57:59
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| true
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ede7de419e0cac84e51df0f2b208d1ba_155_La1Ni3Se4O12
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A4B2C
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GeLi2Mg4
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Li2 Mg4 Ge1
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[
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2023-11-16 06:57:59
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pbe
| true
|
a070d390ace51128a80728a252418e64_139_Li2Mg4Ge1
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A2BCD
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LaNiOsSi2
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La1 Si2 Ni1 Os1
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2023-11-16 06:57:59
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| true
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6e60b5260203e76d8f6fe36c94365856_119_La1Si2Ni1Os1
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A2BC
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BeCr2Sb
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Be1 Cr2 Sb1
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2023-11-16 06:57:59
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pbe
| true
|
6bf8fc7605d84156c39112d8c3adcf28_225_Be1Cr2Sb1
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[
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AB
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ORb
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Rb2 O2
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agm002170258
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[
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2023-11-16 06:57:59
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pbe
| true
|
59b372451104c45fb4e8777a6e733956_71_Rb2O2
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[
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PbRb
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Rb2 Pb2
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agm003294239
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2023-11-16 06:57:59
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pbe
| true
|
01acf17923282dada874df0ac2a6acb1_74_Rb2Pb2
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[
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A2B2C
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Ge2Ir2S
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Ge2 Ir2 S1
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[
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oqmd-6295626
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2.0731276809104145e-17
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[
2.29088,
1.0184233846617154e-16,
2.0731276809104145e-17
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[
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] |
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|
[
"Ge",
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2024-11-01 00:00:00
|
[
0.4,
0.4,
0.2
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[
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[
[
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0
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pbe
| true
|
26ed20c4dc88f110d2f9ed753f4c6604_139_Ge2Ir2S1
|
[
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] | 4
|
A2BC
|
BeInTe2
|
Be1 In1 Te2
| 3
|
[
1,
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1
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[
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3.3040627,
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agm004074518
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|
[
"Be",
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"Te",
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2023-11-16 06:57:59
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[
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0.5
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[
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[
0,
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| 2.901368
|
pbe
| true
|
025195e8acedf2a431b6c385bd8a1f11_99_Be1In1Te2
|
[
"Ge",
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|
A2BC
|
Ge2IrSr
|
Ge2 Ir1 Sr1
| 3
|
[
1,
1,
1
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[
[
0,
3.432332201,
3.432332201
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[
3.432332201,
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3.432332201
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oqmd-5571686
|
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3.432329999999999
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|
[
"Ge",
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2024-11-01 00:00:00
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[
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0.25,
0.25
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[
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10.21379847
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[
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[
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0,
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| null |
pbe
| true
|
ddec90ab4d9fc55adb10914e0d3c9157_216_Sr1Ge2Ir1
|
[
"In",
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|
A2BC
|
In2LiMg
|
Li1 Mg1 In2
| 3
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[
1,
1,
1
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[
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agm003192376
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[
"Mg",
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2023-11-16 06:57:59
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[
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0.25
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[
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0
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pbe
| true
|
717c4664dfca04cc528966f5eb7bc984_123_Li1Mg1In2
|
[
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A6B2CD
|
LaO6PdSr2
|
Sr2 La1 Pd1 O6
| 4
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1
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[
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agm002303815
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[
"Sr",
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2023-11-16 06:57:59
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[
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| 10.411711
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pbe
| true
|
b13a91646fb8852db4d5617e64a7f12d_225_Sr2La1Pd1O6
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[
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AB
|
PtSi
|
Si2 Pt2
| 2
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[
1,
1,
1
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[
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agm002023430
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[
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2023-11-16 06:57:59
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[
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[
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pbe
| true
|
ea590fc28623b61afb2aa56adea638fb_2_Si2Pt2
|
[
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A2BC
|
Be2InZr
|
Zr1 Be2 In1
| 3
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[
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1,
1
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[
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agm004353395
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[
"Be",
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2023-11-16 06:57:59
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[
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[
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| 2.431375
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pbe
| true
|
b62bc3492a4768c43d83bf9c50de3731_123_Zr1Be2In1
|
[
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|
A12B4C3
|
In4O12Sn3
|
In4 O12 Sn3
| 3
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[
1,
1,
1
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[
[
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mp-1223964
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2019-01-13 00:17:00
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[
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| 5.548463
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pbe
| true
|
380ea408d77e34c3b108cde08fa329ec_1_In4Sn3O12
|
[
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A3B
|
ReZn3
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Zn3 Re1
| 2
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[
1,
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1
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|
[
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agm003784842
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2023-11-16 06:57:59
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6b267f26ec0d54042c7b2fdd56faaa8f_71_Zn3Re1
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AB
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ReZn
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Re1 Zn1
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oqmd-3098821
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2024-11-01 00:00:00
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| true
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[
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A2BC
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In2RhV
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V1 In2 Rh1
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[
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agm002749154
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[
"In",
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2023-11-16 06:57:59
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pbe
| true
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[
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A3BC
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GeK3Rh
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K3 Ge1 Rh1
| 3
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agm002500084
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[
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2023-11-16 06:57:59
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pbe
| true
|
071e858084f2ba37a98f81896edc2198_221_K3Ge1Rh1
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[
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A8B3
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Cs3Rb8
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Cs3 Rb8
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[
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2023-11-16 06:57:59
|
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| 10.287549
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pbe
| true
|
f17d909bc11aab79d457b7936b004648_12_Cs3Rb8
|
[
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A4B
|
CsRh4
|
Cs1 Rh4
| 2
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[
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[
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agm006186633
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[
"Cs",
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2023-11-16 06:57:59
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| 7.31364
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pbe
| true
|
d958fcba9e54466f6876ec3da4700db5_221_Cs1Rh4
|
[
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AB
|
CsSn
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Cs1 Sn1
| 2
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[
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1
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[
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3.58432552,
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agm002189045
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|
[
"Cs",
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2023-11-16 06:57:59
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[
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0.5
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[
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[
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| 2.964898
|
pbe
| true
|
f475691b97152dca352fa82bdcd6e510_123_Cs1Sn1
|
[
"Rh",
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A3B2
|
Rh2Ru3
|
Ru3 Rh2
| 2
|
[
1,
1,
1
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[
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2.08543202,
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0
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2.08543202,
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agm005418358
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[
"Ru",
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2023-11-16 06:57:59
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[
0.4,
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[
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[
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pbe
| true
|
f4be0c69c7f12c8518a215400abf5cf5_164_Ru3Rh2
|
[
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A2B
|
RhSi2
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Si2 Rh1
| 2
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[
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1
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[
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5.7305425,
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agm004362644
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[
"Rh",
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"Si"
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2023-11-16 06:57:59
|
[
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[
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[
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| 1.732935
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pbe
| true
|
790b4a0257fdf7a983fb350092781e93_139_Si2Rh1
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A13B4C3D
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La4O13Si3Sr
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Sr2 La8 Si6 O26
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2023-11-16 06:57:59
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| true
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99590c9562bd44d7d4791b8d062afcea_173_Sr2La8Si6O26
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A2BC
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GeLa2Nd
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La2 Nd1 Ge1
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agm005103261
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|
[
"La",
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2023-11-16 06:57:59
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| true
|
d71eafec48da46a044b56789b5bb2224_160_La2Nd1Ge1
|
[
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A3BC
|
GeLaNi3
|
La1 Ni3 Ge1
| 3
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[
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[
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agm002552819
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|
[
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2023-11-16 06:57:59
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pbe
| true
|
6d920815bf88801c58a6cd10457cee8c_221_La1Ni3Ge1
|
[
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A15B5C4D
|
LaO15Sr4Ti5
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Sr4 La1 Ti5 O15
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agm003233463
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2023-11-16 06:57:59
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[
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| true
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AB
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RhSi
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Si8 Rh8
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agm004455038
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5.9465407168208175
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[
5.9465407168208175,
5.9465407168208175,
1.2978331231791815
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[
4.920020043179182,
4.920020043179182,
4.920020043179182
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[
4.920020043179182,
2.3243537968208186,
2.3243537968208186
],
[
2.3243537968208186,
4.920020043179182,
2.3243537968208186
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[
2.3243537968208186,
2.3243537968208186,
4.920020043179182
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[
2.6079621945207334,
2.6079621945207334,
2.6079621945207334
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[
2.6079621945207334,
4.636411645479265,
4.636411645479265
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[
4.636411645479265,
2.6079621945207334,
4.636411645479265
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[
4.636411645479265,
4.636411645479265,
2.6079621945207334
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[
6.230149114520734,
6.230149114520734,
6.230149114520734
],
[
6.230149114520734,
1.0142247254792665,
1.0142247254792665
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[
1.0142247254792665,
6.230149114520734,
1.0142247254792665
],
[
1.0142247254792665,
1.0142247254792665,
6.230149114520734
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
5.344053,
0,
0
],
[
0,
5.344053,
0
],
[
0,
0,
5.344053
]
] | -104.167313
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
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-0.00567868
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[
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0.00567868,
0.00567868
],
[
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0.00567868
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[
0.00567868,
0.00567868,
-0.00567868
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[
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-0.00567868
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[
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0.00567868,
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[
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0.00567868,
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[
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[
0.00766158,
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[
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[
-0.00766158,
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0.00766158
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[
0.00766158,
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0.00766158
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[
0.00766158,
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[
-0.00766158,
0.00766158,
-0.00766158
],
[
-0.00766158,
-0.00766158,
0.00766158
]
] | -0.00007
| 13.286178
|
pbe
| true
|
87007f27698dcf09227236af0704c5a6_217_Si8Rh8
|
[
"Rh",
"U"
] | 5
|
A4B
|
RhU4
|
U4 Rh1
| 2
|
[
1,
1,
1
] | 3
|
[
[
5.24923813,
0,
0
],
[
0,
5.24923813,
0
],
[
0,
0,
5.24923813
]
] |
agm006186679
|
[
[
0,
0,
0
],
[
2.624619065,
0,
2.624619065
],
[
0,
2.624619065,
2.624619065
],
[
2.624619065,
2.624619065,
0
],
[
2.624619065,
2.624619065,
2.624619065
]
] |
[{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"U",
"U",
"U",
"U",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.2,
0.8
] |
[
[
3.744992,
0,
0
],
[
0,
3.744992,
0
],
[
0,
0,
3.744992
]
] | -47.579587
|
[
3,
2.492,
2.492,
2.492,
-0.087
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 12.34496
| 31.097466
|
pbe
| true
|
5af2e4f0d2e69880c3ee92d07e488ae7_221_U4Rh1
|
[
"Rh",
"W"
] | 4
|
A3B
|
RhW3
|
Rh1 W3
| 2
|
[
1,
1,
1
] | 3
|
[
[
1.39691405,
-2.4195261,
0
],
[
1.39691405,
2.4195261,
0
],
[
0,
0,
9.35958057
]
] |
agm004415070
|
[
[
0,
0,
0
],
[
0,
0,
4.679790285
],
[
1.39691405,
0.806508716130174,
2.2255320186438667
],
[
1.39691405,
0.806508716130174,
7.134048551356133
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"W",
"W",
"W"
] |
2023-11-16 06:57:59
|
[
0.25,
0.75
] |
[
[
7.6087804,
0,
0
],
[
0,
7.6087804,
0
],
[
0,
0,
7.337746
]
] | -45.484126
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0070923
],
[
0,
0,
0.0070923
]
] | 0.000005
| 4.555662
|
pbe
| true
|
6e9d58b7db0107f9bdccf2ec730875d4_187_Rh1W3
|
[
"Lu",
"Rh",
"Sb"
] | 4
|
A2BC
|
LuRh2Sb
|
Lu1 Sb1 Rh2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.65342707,
0,
0
],
[
2.32671354,
4.02998606,
0
],
[
2.32671354,
1.34332869,
3.79950729
]
] |
agm003162460
|
[
[
0,
0,
0
],
[
4.653427075,
2.686657375,
1.899753645
],
[
2.3267135375,
1.3433286875,
0.9498768225
],
[
6.9801406125000005,
4.0299860625,
2.8496304675
]
] |
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Sb",
"Lu",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
6.7747517,
0,
0
],
[
0,
6.7747517,
0
],
[
0,
0,
6.7747517
]
] | -26.453972
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000129
| 4.77383
|
pbe
| true
|
85f2ff6938b47f09ae13a5653a00b565_225_Lu1Sb1Rh2
|
[
"Sm",
"Sr"
] | 4
|
AB
|
SmSr
|
Sr2 Sm2
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.89096096,
0.05432662,
0
],
[
-0.15665648,
11.16125428,
0
],
[
0,
0,
3.89145429
]
] |
agm001417404
|
[
[
0.8707937813437232,
7.243716802983375,
0.9728635725
],
[
2.863510698656277,
3.9718640970166255,
2.9185907175
],
[
0.9572909971754832,
1.1254685548856325,
0.9728635725
],
[
2.777013482824517,
10.090112345114369,
2.9185907175
]
] |
[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Sr",
"Sm",
"Sm"
] |
2023-11-16 06:57:59
|
[
0.5,
0.5
] |
[
[
0.97477376,
-0.00049901,
0
],
[
-0.00049913,
1.0925095,
0
],
[
0,
0,
0.9631471
]
] | -12.459591
|
[
0,
0,
0,
0
] |
[
[
0.00029728,
0.00482382,
0
],
[
-0.00029728,
-0.00482382,
0
],
[
-0.00008295,
-0.00397382,
0
],
[
0.00008295,
0.00397382,
0
]
] | 0.000033
| 5.219039
|
pbe
| true
|
d95ec24dddb5459dc10fb968457f6b4a_129_Sr2Sm2
|
[
"Sm",
"Tc"
] | 4
|
A3B
|
Sm3Tc
|
Sm3 Tc1
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.67998091,
0,
0
],
[
0,
5.52326267,
0
],
[
-1.83999046,
-2.76163134,
5.4619877
]
] |
agm001283399
|
[
[
1.8399904499999997,
2.1147744224029505,
5.4619877
],
[
-0.0000018246061654942027,
2.3664184969284774,
3.294250243727469
],
[
-5.00000019165725e-9,
-0.4038031428702449,
5.4619877
],
[
1.8399922746061652,
-0.3952183603029627,
2.167737456272531
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Tc",
"Sm",
"Sm",
"Sm"
] |
2023-11-16 06:57:59
|
[
0.75,
0.25
] |
[
[
1.7604872,
0,
0
],
[
0,
1.5820646,
0
],
[
0,
0,
1.832529
]
] | -24.130732
|
[
0,
0,
0,
0
] |
[
[
0,
0.00040395,
0
],
[
0,
-0.00073822,
-0.00399501
],
[
0,
0.00107248,
0
],
[
0,
-0.00073822,
0.00399501
]
] | 0.000001
| 5.251076
|
pbe
| true
|
2e3310eafa8b722a2fab08803f5bd2fe_44_Sm3Tc1
|
[
"Lu",
"Rh",
"Sc"
] | 4
|
A2BC
|
Lu2RhSc
|
Lu2 Sc1 Rh1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.40922692,
0,
0
],
[
0,
3.40922692,
0
],
[
0,
0,
8.04852522
]
] |
agm001145163
|
[
[
1.70461346,
1.70461346,
4.02426261
],
[
0,
0,
6.445952940020469
],
[
0,
0,
1.6025722799795314
],
[
1.70461346,
1.70461346,
0
]
] |
[{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Sc",
"Lu",
"Lu",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
3.4452906,
0,
0
],
[
0,
3.4452906,
0
],
[
0,
0,
3.6384838
]
] | -24.55592
|
[
-0.317,
-0.078,
-0.078,
-0.044
] |
[
[
0,
0,
0
],
[
0,
0,
0.0001102
],
[
0,
0,
-0.0001102
],
[
0,
0,
0
]
] | -0.793285
| 4.95372
|
pbe
| true
|
f96df2ef49aaff3e2fe6da9c1366b033_123_Lu2Sc1Rh1
|
[
"Sm",
"W"
] | 5
|
A4B
|
Sm4W
|
Sm4 W1
| 2
|
[
1,
1,
1
] | 3
|
[
[
5.57108151,
0,
0
],
[
0,
5.57108151,
0
],
[
0,
0,
5.57108151
]
] |
agm006185686
|
[
[
0,
0,
0
],
[
2.785540755,
0,
2.785540755
],
[
0,
2.785540755,
2.785540755
],
[
2.785540755,
2.785540755,
0
],
[
2.785540755,
2.785540755,
2.785540755
]
] |
[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Sm",
"Sm",
"Sm",
"Sm",
"W"
] |
2023-11-16 06:57:59
|
[
0.8,
0.2
] |
[
[
1.450653,
0,
0
],
[
0,
1.450653,
0
],
[
0,
0,
1.450653
]
] | -29.107988
|
[
0.001,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00228
| 7.522169
|
pbe
| true
|
fb02472dd504fee4c8fab8270c1845f0_221_Sm4W1
|
[
"Tc",
"Tl"
] | 4
|
A3B
|
TcTl3
|
Tl3 Tc1
| 2
|
[
1,
1,
1
] | 3
|
[
[
3.21149969,
0.00181923,
0
],
[
-0.00236948,
3.21149933,
0
],
[
0,
0,
9.47744623
]
] |
agm004323819
|
[
[
0,
0,
0
],
[
1.604565105,
1.6066592800000001,
7.548015311042039
],
[
0,
0,
4.738723115
],
[
1.604565105,
1.6066592800000001,
1.9294309189579613
]
] |
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
|
[
"Tc",
"Tl",
"Tl",
"Tl"
] |
2023-11-16 06:57:59
|
[
0.25,
0.75
] |
[
[
5.232271,
0.02043732,
0
],
[
0.02043732,
5.232324,
0
],
[
0,
0,
5.2408266
]
] | -15.297473
|
[
1.536,
-0.01,
-0.021,
-0.01
] |
[
[
0,
0,
0
],
[
0,
0,
0.0064204
],
[
0,
0,
0
],
[
0,
0,
-0.0064204
]
] | 1.58626
| 2.554289
|
pbe
| true
|
5433da3bb3ad1b1ba15326f516aa89b3_123_Tl3Tc1
|
[
"Lu",
"Th",
"Tm"
] | 4
|
A2BC
|
LuTh2Tm
|
Tm1 Lu1 Th2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.54533024,
0,
0
],
[
0,
3.54533024,
0
],
[
0,
0,
9.90004583
]
] |
agm001162287
|
[
[
1.77266512,
1.77266512,
0
],
[
1.77266512,
1.77266512,
4.950022915
],
[
0,
0,
7.4348070047401675
],
[
0,
0,
2.465238825259832
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Lu",
"Tm",
"Th",
"Th"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.14032234,
0,
0
],
[
0,
0.14032234,
0
],
[
0,
0,
0.48789522
]
] | -23.695829
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00788769
],
[
0,
0,
-0.00788769
]
] | 0.000001
| 5.178638
|
pbe
| true
|
e2c2777b38d0289db264669f3cd2223b_123_Tm1Lu1Th2
|
[
"Ac",
"As",
"Sr"
] | 3
|
ABC
|
AcAsSr
|
Sr1 Ac1 As1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.29474295,
0,
0
],
[
2.64737148,
4.5853819,
0
],
[
2.64737148,
1.52846063,
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agm001239882
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2023-11-16 06:57:59
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025f915f30d4d2aa946fa50a32ac433a_216_Sr1Ac1As1
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[
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A2BCD
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LaP2RuV
|
La1 V1 P2 Ru1
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2023-11-16 06:57:59
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pbe
| true
|
a343353fd815e5416faafab995b54f85_119_La1V1P2Ru1
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[
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A5B3C2
|
Ge3La2Ni5
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La2 Ni5 Ge3
| 3
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agm003343037
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[
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2023-11-16 06:57:59
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pbe
| true
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e874a9d30009ee096954d12cc12a137f_115_La2Ni5Ge3
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[
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ABC
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AcAsTc
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Ac1 Tc1 As1
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2023-11-16 06:57:59
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pbe
| true
|
11c1950a4981b03a081d4becc688b2fb_187_Ac1Tc1As1
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[
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ABC
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AcAuB
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Ac1 Au1 B1
| 3
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oqmd-4181035
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2024-11-01 00:00:00
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pbe
| true
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6d85e46bfb573636cdda3952f2522230_216_Ac1B1Au1
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[
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ABC
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AcBaHg
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Ba1 Ac1 Hg1
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[
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agm001241606
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[
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2023-11-16 06:57:59
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[
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| 4.938598
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pbe
| true
|
50a354684bed1e761cb49a0354b498f6_216_Ba1Ac1Hg1
|
[
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A2B2C
|
Be2CuHf2
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Hf4 Be4 Cu2
| 3
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[
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[
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agm002960553
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[
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2023-11-16 06:57:59
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pbe
| true
|
c0d19c30741c38f8bb6e7eaba6fe2106_127_Hf4Be4Cu2
|
[
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A8B3C
|
Be8Cu3Li
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Li1 Be8 Cu3
| 3
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[
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[
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agm005983707
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"Li",
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2023-11-16 06:57:59
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[
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pbe
| true
|
fc28a0f915e6cd0020da20e7488e0bd1_156_Li1Be8Cu3
|
[
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ABC
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AcBiTa
|
Ac1 Bi1 Ta1
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oqmd-3249142
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[
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2024-11-01 00:00:00
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[
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pbe
| true
|
4712e06b8efcdd2fff93e697d7741050_216_Ac1Ta1Bi1
|
[
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A2BC
|
In2RhW
|
In2 Rh1 W1
| 3
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[
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|
[
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agm003830117
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0
],
[
1.47303098,
1.47303098,
4.095779725
]
] |
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"In",
"In",
"Rh",
"W"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
9.190964,
0,
0
],
[
0,
9.190964,
0
],
[
0,
0,
9.367395
]
] | -24.848042
|
[
0,
0,
0,
0
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[
[
0,
0,
0.01117743
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[
0,
0,
-0.01117743
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00001
| 2.733729
|
pbe
| true
|
d5bcca32487683017a559e407ab4c766_123_In2Rh1W1
|
[
"La",
"Pd",
"Rh",
"Sb"
] | 6
|
A2B2CD
|
LaPdRh2Sb2
|
La1 Sb2 Pd1 Rh2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03012227,
0,
0
],
[
0,
5.03012227,
0
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[
0,
0,
5.57168142
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agm004750176
|
[
[
0,
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0
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[
0,
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0,
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[
2.515061135,
2.515061135,
4.125535126695626
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[
2.515061135,
2.515061135,
1.446146293304375
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"La",
"Sb",
"Sb",
"Pd",
"Rh",
"Rh"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
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[
[
4.872872,
0,
0
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[
0,
4.872872,
0
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[
0,
0,
4.6256094
]
] | -34.098509
|
[
0,
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0,
0,
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0
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[
[
0,
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0
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[
0,
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[
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[
0,
0,
0
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[
0,
0,
-0.00484139
],
[
0,
0,
0.00484139
]
] | 0.00114
| 5.218096
|
pbe
| true
|
7ae14ad7701fe05c96612a784a43a9b0_123_La1Sb2Pd1Rh2
|
[
"La",
"Pd",
"Sm",
"Sn"
] | 12
|
A6B3C2D
|
La2Pd6SmSn3
|
La2 Sm1 Sn3 Pd6
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.11953522,
0,
0
],
[
0,
4.11953522,
0
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[
0,
0,
17.98303059
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agm004661250
|
[
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3.2843624419384883
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2.05976761,
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[
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0,
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2.551618864136418
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[
0,
2.05976761,
6.9020265089290715
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[
0,
0,
15.43141172586358
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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"La",
"La",
"Sm",
"Sn",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.5,
0.08333333333333333,
0.25
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[
[
3.394728,
0,
0
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[
0,
3.394728,
0
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[
0,
0,
3.4945164
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] | -64.309925
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[
0,
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0,
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0,
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0
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[
[
0,
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[
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[
0,
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[
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[
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0,
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[
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0,
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0.00355845
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[
0,
0,
0.00635474
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[
0,
0,
-0.00355845
]
] | -0.000006
| 8.340413
|
pbe
| true
|
490c74c308b397a3df00d087e03218da_123_La2Sm1Sn3Pd6
|
[
"La",
"Pd",
"Sn",
"Tb"
] | 12
|
A6B3C2D
|
La2Pd6Sn3Tb
|
La2 Tb1 Sn3 Pd6
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.12327558,
0,
0
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[
0,
4.12327558,
0
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[
0,
0,
17.82491027
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agm004661257
|
[
[
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3.2959128944851175
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[
2.06163779,
2.06163779,
14.528997375514882
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8.912455135
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0,
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12.588210093872915
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0
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[
0,
2.06163779,
10.925995500905383
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[
2.06163779,
0,
6.898914769094617
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[
2.06163779,
0,
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[
0,
0,
2.5519041700500633
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[
0,
2.06163779,
6.898914769094617
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[
0,
0,
15.273006099949937
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"La",
"La",
"Tb",
"Sn",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.5,
0.25,
0.08333333333333333
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[
[
3.8222432,
0,
0
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[
0,
3.8222432,
0
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[
0,
0,
3.983464
]
] | -64.372124
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
0,
0,
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[
0,
0,
-0.00354031
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[
0,
0,
0
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[
0,
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[
0,
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0.00304772
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[
0,
0,
0
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[
0,
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[
0,
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0.00397618
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[
0,
0,
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[
0,
0,
0.00567701
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[
0,
0,
0.00397618
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[
0,
0,
-0.00567701
]
] | -0.000001
| 7.662092
|
pbe
| true
|
c8bc3f65c6f54dd8a6f61bd2da1c6f3e_123_La2Tb1Sn3Pd6
|
[
"Be",
"Cu",
"Ru"
] | 4
|
A2BC
|
BeCuRu2
|
Be1 Cu1 Ru2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.4533498,
-0.03284318,
2e-8
],
[
1.4221846,
4.22028365,
2e-8
],
[
-2.93776546,
-2.09371899,
2.61137482
]
] |
agm004365491
|
[
[
0,
0,
0
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[
0.71109317,
2.1101424475,
1.30568743
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[
2.22667577,
-0.016420967500000216,
1.30568743
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[
2.9377671999999997,
2.0937202349999997,
2e-8
]
] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]
|
[
"Ru",
"Ru",
"Cu",
"Be"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
-4.16997,
-0.02485764,
-0.00000277
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[
-0.02485764,
-4.152807,
-0.00000197
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[
-0.00000277,
-0.00000197,
-4.1351013
]
] | -25.9974
|
[
0,
0,
0,
0
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0
| 3.054037
|
pbe
| true
|
bf051a35453c5e8c32234d7b544b6f34_119_Be1Cu1Ru2
|
[
"La",
"Pm",
"Pr",
"Tb"
] | 12
|
A2B2CD
|
LaPm2PrTb2
|
La2 Tb4 Pm4 Pr2
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.57743255,
0,
0
],
[
0,
16.5357873,
0
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[
0,
0,
7.07747676
]
] |
agm004741325
|
[
[
0,
0,
0
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[
1.788716275,
8.26789365,
3.53873838
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[
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2.594150516695554,
1.7691155332329214
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[
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10.862044166695553,
1.7696228467670785
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[
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13.941636783304446,
5.3083612267670786
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[
0,
5.673743133304446,
5.307853913232921
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[
1.788716275,
13.892009743817557,
1.7786035985773776
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[
1.788716275,
2.6437775561824406,
5.298873161422622
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[
0,
10.911671206182442,
5.317341978577377
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[
0,
5.624116093817559,
1.7601347814226225
],
[
1.788716275,
8.26789365,
0
],
[
0,
0,
3.53873838
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"La",
"La",
"Tb",
"Tb",
"Tb",
"Tb",
"Pm",
"Pm",
"Pm",
"Pm",
"Pr",
"Pr"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.3333333333333333
] |
[
[
0.728373,
0,
0
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[
0,
0.69415313,
0
],
[
0,
0,
0.76184446
]
] | -55.077566
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
-0.00183673,
0.00219698
],
[
0,
-0.00183673,
-0.00219698
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[
0,
0.00183673,
-0.00219698
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[
0,
0.00183673,
0.00219698
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[
0,
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[
0,
0.00325701,
0.00005845
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[
0,
0.00325701,
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[
0,
-0.00325701,
0.00005845
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000146
| 18.949226
|
pbe
| true
|
f3a1d6882c2d54de1226488075bb3e9f_58_La2Tb4Pm4Pr2
|
[
"La",
"Pm",
"S",
"Te"
] | 5
|
A2BCD
|
LaPmS2Te
|
La1 Pm1 Te1 S2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.58178308,
0,
0
],
[
0,
4.58178308,
0
],
[
-2.29089154,
-2.29089154,
7.11429789
]
] |
agm005015449
|
[
[
2.2908915422943075e-8,
2.2908915422943075e-8,
1.9977364661546566
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[
2.290891517091085,
2.290891517091085,
5.057475757009315
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[
2.2908915629089153,
2.2908915629089153,
0.0000882884368149
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[
2.29089154,
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3.586654784068986
],
[
-7.705247490585521e-17,
2.29089154,
3.586654784068986
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"La",
"Pm",
"Te",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
0.29730472,
0,
0
],
[
0,
0.29730472,
0
],
[
0,
0,
0.10266652
]
] | -29.719208
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00199386
],
[
0,
0,
-0.00452238
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[
0,
0,
0.0038135
],
[
0,
0,
0.00135137
],
[
0,
0,
0.00135137
]
] | 0
| -0.001513
|
pbe
| true
|
73be6d16dcb93f95241d01fd4ddbe9d0_107_La1Pm1Te1S2
|
[
"Be",
"Cu",
"Sc"
] | 4
|
A2BC
|
Be2CuSc
|
Sc1 Be2 Cu1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.74848352,
0.00346428,
-0.00036967
],
[
1.87377748,
3.24655182,
-0.00036967
],
[
1.86497484,
1.0780713,
4.43170263
]
] |
agm004048406
|
[
[
1.87180896,
1.08202185,
1.1077408225
],
[
1.8656224707926292,
1.078445671675605,
3.7474646599253165
],
[
3.7429702892073706,
2.163669328324395,
2.899719615074684
],
[
5.61542688,
3.24606555,
3.3232224675
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Be",
"Be",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-3.4476924,
-0.1403496,
-0.25402012
],
[
-0.1403496,
-3.2860298,
-0.14683941
],
[
-0.25402045,
-0.1468396,
-3.3830583
]
] | -18.267428
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
-0.00034707,
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-0.00542545
],
[
0.00034707,
0.00020063,
0.00542545
],
[
0,
0,
0
]
] | 0.000115
| 2.787655
|
pbe
| true
|
d0f3d27e8952fc10c329729f93fc62bb_166_Sc1Be2Cu1
|
[
"La",
"Pm",
"Se",
"Te"
] | 5
|
A2BCD
|
LaPmSe2Te
|
La1 Pm1 Te1 Se2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.72420489,
0,
0
],
[
0,
4.72420489,
0
],
[
-2.36210245,
-2.36210245,
7.30517022
]
] |
agm005015311
|
[
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1.972909805073275
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2.3621024650212825,
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3.680586411866878
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[
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2.362102442480835,
3.680586411866878
]
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"La",
"Pm",
"Te",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
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[
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[
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0,
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]
] | -27.26707
|
[
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[
[
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[
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[
0,
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0.00250412
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[
0,
0,
-0.0006957
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[
0,
0,
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]
] | 0.000001
| -0.038854
|
pbe
| true
|
31c82a199ab8b5e87c3ec75bf9396733_107_La1Pm1Te1Se2
|
[
"Ir",
"Nd",
"Ru"
] | 4
|
A2BC
|
IrNd2Ru
|
Nd2 Ru1 Ir1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.54901019,
0,
0
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[
0,
3.54901019,
0
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[
0,
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6.98726076
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agm001121375
|
[
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3.49363038
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[
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0,
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1.733589143852611
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] |
[{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
|
[
"Ru",
"Ir",
"Nd",
"Nd"
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2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
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[
0,
3.2785487,
0
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[
0,
0,
3.401901
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] | -28.899489
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[
0,
0.001,
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[
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[
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0
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[
0,
0,
0.00534883
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[
0,
0,
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]
] | 0.001242
| 2.851165
|
pbe
| true
|
0dfa5da06ab886900b963427b0b9d34d_123_Nd2Ru1Ir1
|
[
"La",
"Pm",
"Sm",
"Y"
] | 20
|
A6B2CD
|
LaPmSm6Y2
|
La2 Pm2 Sm12 Y4
| 4
|
[
1,
1,
1
] | 3
|
[
[
9.14292835,
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agm004970098
|
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1.050063045103868
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[
10.03971529231353,
2.5384614117605415,
3.6734763722592136
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"La",
"La",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Y",
"Y",
"Y",
"Y"
] |
2023-11-16 06:57:59
|
[
0.1,
0.1,
0.6,
0.2
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[
[
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1.1863799,
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[
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[
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[
0.00061356,
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0.00049852
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[
-0.00061356,
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0.00171556
]
] | 0.000002
| 27.54979
|
pbe
| true
|
655f39292c180bf671d538d3eb8818be_15_La2Pm2Sm12Y4
|
[
"Be",
"Fe",
"Pt"
] | 8
|
A2BC
|
BeFePt2
|
Be2 Fe2 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.81922915,
0,
0
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[
0,
3.81922915,
0
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[
1.90961458,
1.90961458,
8.14056873
]
] |
agm002800600
|
[
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1.9096145775,
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4.070284365
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0.9964794708900225,
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2.0351421825
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6.1054265475000005
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[
4.77403644125,
4.7323642591099775,
6.1054265475000005
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Be",
"Be",
"Fe",
"Fe",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
[
7.320889,
0,
0
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[
0,
7.320889,
0
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[
0,
0,
-1.4344207
]
] | -47.864049
|
[
-0.07,
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2.901,
2.891,
0.169,
0.17,
0.178,
0.173
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[
[
0,
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[
0,
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[
0,
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0
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[
0,
0,
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0.00302905,
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0,
0
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[
0,
-0.00302905,
0
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[
0,
0.00302905,
0
]
] | 6.269326
| 5.706511
|
pbe
| true
|
d067401e63e57f6b93e46f326602d1e8_122_Be2Fe2Pt4
|
[
"Be",
"Fe",
"Zn"
] | 4
|
A2BC
|
BeFe2Zn
|
Be1 Fe2 Zn1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
2.801221,
2.801221
],
[
2.801221,
0,
2.801221
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[
2.801221,
2.801221,
0
]
] |
oqmd-2291681
|
[
[
1.4006000000000027,
1.4006000000000027,
1.4006000000000027
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[
0,
0,
0
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[
4.2018200000000006,
4.2018200000000006,
4.2018200000000006
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[
2.8012199999999976,
2.8012199999999976,
2.8012199999999976
]
] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Be",
"Fe",
"Fe",
"Zn"
] |
2024-11-01 00:00:00
|
[
0.25,
0.5,
0.25
] |
[
[
25.59063,
0,
0
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[
0,
25.59063,
0
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[
0,
0,
25.59063
]
] | -21.5176
|
[
-0.068,
1.952,
1.974,
-0.049
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.78893
| null |
pbe
| true
|
2e11fb80f4cde93e1317821bfc4b7e91_216_Be1Zn1Fe2
|
[
"Be",
"Ga",
"Sc"
] | 4
|
A2BC
|
BeGaSc2
|
Sc2 Be1 Ga1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.25092032,
0,
0
],
[
0,
3.25092032,
0
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[
0,
0,
6.54130959
]
] |
agm001136460
|
[
[
0,
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[
0,
0,
1.5162475661569548
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[
1.62546016,
1.62546016,
0
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[
1.62546016,
1.62546016,
3.270654795
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] |
[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sc",
"Sc",
"Be",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
2.0483823,
0,
0
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[
0,
2.0483823,
0
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[
0,
0,
2.2821364
]
] | -20.815073
|
[
0,
0,
0,
0
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[
[
0,
0,
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[
0,
0,
0.00169275
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000044
| 2.305394
|
pbe
| true
|
296719c4b258196b2227765715cfe7a9_123_Sc2Be1Ga1
|
[
"La",
"Pm",
"Th",
"Tm"
] | 10
|
A2BCD
|
LaPmThTm2
|
La2 Pm2 Tm4 Th2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.767795,
0,
0
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[
0,
5.86391587,
2.35828114
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[
0,
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9.61813708
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] |
agm004997417
|
[
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[
4.32584625,
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4.32584625,
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[
1.44194875,
0.5518927091251239,
4.218135934880247
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[
1.44194875,
1.9924453313243058,
0.8672798728775066
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[
1.44194875,
4.966327145761497,
9.810859129609849
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[
4.32584625,
0.40878729423850285,
2.165559090390152
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
|
[
"La",
"La",
"Pm",
"Pm",
"Tm",
"Tm",
"Tm",
"Tm",
"Th",
"Th"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.5890394,
0,
0
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[
0,
0.5680311,
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[
0,
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0.63840264
]
] | -51.542534
|
[
0,
0,
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0,
0,
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0,
0,
0,
0
] |
[
[
0,
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0.00151982
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[
0,
0.0037429,
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[
0,
0.0020887,
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[
0,
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[
0,
0.00272157,
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[
0,
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[
0,
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[
0,
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[
0,
0.0023182,
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[
0,
-0.0023182,
0.00288019
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] | 0.000002
| 16.03148
|
pbe
| true
|
1323db9a91e6ca3d9902d4353eb67c14_11_La2Pm2Tm4Th2
|
[
"Al",
"Hf",
"Ir"
] | 4
|
A2BC
|
AlHfIr2
|
Hf1 Al1 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.54186112,
0,
0
],
[
0,
4.22452304,
0
],
[
0,
0,
4.22452304
]
] |
agm001197140
|
[
[
0,
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2.11226152
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[
0,
2.11226152,
0
],
[
1.77093056,
0,
0
],
[
1.77093056,
2.11226152,
2.11226152
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Ir",
"Ir",
"Hf",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
5.643279,
0,
0
],
[
0,
5.5482326,
0
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[
0,
0,
5.5482326
]
] | -35.176551
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003
| 2.157748
|
pbe
| true
|
a0f9a12f3a0fc0fab5f325afc09179e4_123_Hf1Al1Ir2
|
[
"La",
"Pr",
"Sc",
"Tb"
] | 10
|
A2BCD
|
LaPr2ScTb
|
La2 Tb2 Pr4 Sc2
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.75512315,
0,
0
],
[
0,
7.67819084,
1.42142221
],
[
0,
-1.16097237,
6.25721627
]
] |
agm004996537
|
[
[
2.0462134703650148,
2.9683661425,
5.4036233075
],
[
4.708909679634986,
3.5488523275,
2.2750151725
],
[
4.0231012059297555,
-0.2902430925,
1.5643040675
],
[
2.7320219440702442,
-0.8707292775000001,
4.6929122025
],
[
5.270346406117684,
4.563262230844695,
5.698538709679444
],
[
5.270346406117684,
1.3734700541553053,
5.108707905320556
],
[
1.484769988759165,
5.143748415844695,
2.5699305746794434
],
[
1.484769988759165,
1.9539562391553051,
1.9800997703205563
],
[
0,
0,
0
],
[
0,
-0.580486185,
3.128608135
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"La",
"La",
"Tb",
"Tb",
"Pr",
"Pr",
"Pr",
"Pr",
"Sc",
"Sc"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
1.0314819,
0,
0
],
[
0,
1.152725,
0.0064089
],
[
0,
0.0064089,
1.1167809
]
] | -49.178498
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00483236,
0,
0
],
[
-0.00483236,
0,
0
],
[
-0.00126977,
0,
0
],
[
0.00126977,
0,
0
],
[
0.00463305,
0.00403287,
0.00074658
],
[
0.00463305,
-0.00403287,
-0.00074658
],
[
-0.00463305,
0.00403287,
0.00074658
],
[
-0.00463305,
-0.00403287,
-0.00074658
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001
| 11.006907
|
pbe
| true
|
8d1c0e5d01a90b32a12b8a86eadb0edc_51_La2Tb2Pr4Sc2
|
[
"Be",
"Gd",
"Os"
] | 4
|
A2BC
|
BeGd2Os
|
Gd2 Be1 Os1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.87048627,
0,
0
],
[
2.43524313,
4.21796484,
0
],
[
2.43524313,
1.40598828,
3.97673538
]
] |
agm001087470
|
[
[
4.870486265,
2.8119765599999997,
1.98836769
],
[
2.4352431325,
1.4059882799999999,
0.994183845
],
[
7.3057293974999995,
4.21796484,
2.982551535
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Be",
"Gd",
"Gd",
"Os"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
0.03572037,
0,
0
],
[
0,
0.03572037,
0
],
[
0,
0,
0.03572037
]
] | -43.143068
|
[
-0.024,
7.01,
7.01,
-0.202
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 13.98346
| 3.315909
|
pbe
| true
|
01d46d2616f730268d044dfdd4ef7a96_225_Gd2Be1Os1
|
[
"Ir",
"Ni",
"Pb"
] | 4
|
A2BC
|
Ir2NiPb
|
Ni1 Ir2 Pb1
| 3
|
[
1,
1,
1
] | 3
|
[
[
0,
3.17183742,
3.17183742
],
[
3.17183742,
0,
3.17183742
],
[
3.17183742,
3.17183742,
0
]
] |
agm002715283
|
[
[
3.17183742,
3.17183742,
3.17183742
],
[
0,
0,
0
],
[
1.58591871,
1.58591871,
1.58591871
],
[
4.757756130000001,
4.757756130000001,
4.757756130000001
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
|
[
"Pb",
"Ni",
"Ir",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
-3.0039613,
0,
0
],
[
0,
-3.0039613,
0
],
[
0,
0,
-3.0039613
]
] | -25.322556
|
[
-0.009,
0.614,
0.252,
0.252
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.084801
| 5.580987
|
pbe
| true
|
1107e9a2abbb4db87e7507b66ce6545c_225_Ni1Ir2Pb1
|
[
"Be",
"H",
"Mn"
] | 4
|
A2BC
|
BeHMn2
|
Mn2 Be1 H1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.47691815,
0,
0
],
[
0,
2.47691815,
0
],
[
0,
0,
5.50657481
]
] |
agm001131537
|
[
[
1.238459075,
1.238459075,
2.753287405
],
[
0,
0,
4.341373393040602
],
[
0,
0,
1.1652014169593985
],
[
1.238459075,
1.238459075,
0
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]
|
[
"Be",
"Mn",
"Mn",
"H"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
13.33241,
0,
0
],
[
0,
13.33241,
0
],
[
0,
0,
13.702682
]
] | -24.469046
|
[
-0.067,
1.78,
1.78,
-0.02
] |
[
[
0,
0,
0
],
[
0,
0,
0.00992235
],
[
0,
0,
-0.00992235
],
[
0,
0,
0
]
] | 3.552525
| 3.352874
|
pbe
| true
|
f9e5a5c88f4db35dea083f2407489111_123_Mn2Be1H1
|
[
"Ir",
"Ni",
"Pt"
] | 3
|
ABC
|
IrNiPt
|
Ni1 Ir1 Pt1
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.72996829,
0,
0
],
[
-1.36498414,
2.36422189,
0
],
[
0,
0,
6.44834838
]
] |
agm003159704
|
[
[
-1.0316508236692242e-8,
1.5761479345474063,
2.107394535557338
],
[
0,
0,
0.11028565095875338
],
[
1.3649841603165083,
0.7880739554525936,
4.230668129000425
]
] |
[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Ni",
"Ir",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
[
-5.129513,
0,
0
],
[
0,
-5.129513,
0
],
[
0,
0,
-5.1289907
]
] | -20.621409
|
[
-0.002,
0,
0
] |
[
[
0,
0,
0.00209632
],
[
0,
0,
-0.00338205
],
[
0,
0,
0.00128573
]
] | -0.002111
| 4.518481
|
pbe
| true
|
7d47fdbbf096e199cd3762cb62ae5c13_156_Ni1Ir1Pt1
|