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float64 -2,749.01
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float64 -340.3
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float64 -14.23
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62
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ag",
"Cs",
"Na",
"Pd"
] | 5
|
A2BCD
|
Ag2CsNaPd
|
Cs1 Na1 Ag2 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.38578599,
0,
0
],
[
0,
5.38578599,
0
],
[
0,
0,
5.34106234
]
] |
agm001668618
|
[
[
2.692892995,
2.692892995,
2.67053117
],
[
0,
0,
2.67053117
],
[
0,
0,
0
],
[
0,
2.692892995,
0
],
[
2.692892995,
0,
0
]
] |
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Na",
"Pd",
"Ag",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
2.8479319,
0,
0
],
[
0,
2.8479319,
0
],
[
0,
0,
2.726809
]
] | -12.544971
|
[
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
],
[
0,
0,
0
]
] | 0
| 1.329133
|
pbe
| true
|
88f36b0b919abbed49ee8d333605a074_123_Cs1Na1Ag2Pd1
|
[
"Ag",
"Cu",
"F",
"Hg"
] | 12
|
A8B2CD
|
AgCu2F8Hg
|
Cu2 Ag1 Hg1 F8
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.47510132,
-0.00005336,
0
],
[
0.00005336,
5.47510132,
0
],
[
-2.73757734,
-2.73752398,
5.65827202
]
] |
agm004890412
|
[
[
2.73757734,
2.73752398,
0
],
[
0.000026679999999945636,
2.73755066,
2.82913601
],
[
2.73755066,
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2.82913601
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[
0,
0,
0
],
[
3.6375305305675716,
4.285293693443314,
0.618945079328553
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[
1.8376241494324288,
1.1897542665566863,
0.618945079328553
],
[
1.5319377494356874,
1.7997443338635968,
3.4336762038373165
],
[
-1.531884389435687,
3.6753569861364044,
3.4336762038373165
],
[
-0.9377796461364035,
1.205639590564313,
2.224595816162683
],
[
0.9378330061364035,
4.269461729435688,
2.224595816162683
],
[
-1.5477697134433142,
0.8999531905675713,
5.039326940671447
],
[
1.547769713443314,
-0.8999531905675715,
5.039326940671447
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Cu",
"Cu",
"Ag",
"Hg",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.08333333333333333,
0.16666666666666666,
0.6666666666666666,
0.08333333333333333
] |
[
[
1.8578717,
-0.00003802,
0
],
[
0.00003802,
1.8578717,
0
],
[
0,
0,
2.0219028
]
] | -42.314934
|
[
0.755,
0.79,
0.463,
0.026,
0.093,
0.093,
0.152,
0.152,
0.152,
0.152,
0.093,
0.093
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00219026,
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0.00215384
],
[
-0.00219026,
0.00030234,
0.00215384
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[
-0.00057912,
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-0.00088741
],
[
0.00057912,
0.00522162,
-0.00088741
],
[
-0.00522162,
0.00057912,
0.00088741
],
[
0.00522162,
-0.00057912,
0.00088741
],
[
0.00030234,
0.00219026,
-0.00215384
],
[
-0.00030234,
-0.00219026,
-0.00215384
]
] | 3.075707
| 4.808997
|
pbe
| true
|
2a89c82e463d77c182dfa001ee609583_82_Cu2Ag1Hg1F8
|
[
"Ag",
"Cs",
"S",
"Te"
] | 11
|
A6B2C2D
|
Ag2CsS6Te2
|
Cs1 Ag2 Te2 S6
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.39967384,
0.81238834,
-0.4517839
],
[
4.79722552,
11.22314261,
1.14306327
],
[
-0.84197297,
-5.36670092,
4.25331885
]
] |
agm004575830
|
[
[
3.278850435,
-2.27715629,
1.900767475
],
[
3.1620023157438366,
4.095929849242348,
3.3365866641636543
],
[
8.192924074256164,
2.5729001807576513,
1.6080115558363464
],
[
7.1424523895835925,
0.3193847438136513,
4.124695648694142
],
[
4.212474000416408,
6.349445286186348,
0.8199025713058584
],
[
5.043814998074034,
2.560988735602211,
4.49600261957243
],
[
2.4300803268889477,
3.317037948178619,
0.90711639869603
],
[
4.096532399751412,
6.378974686890151,
3.1766895601433625
],
[
8.924846063111051,
3.3517920818213796,
4.03748182130397
],
[
7.258393990248586,
0.2898553431098482,
1.7679086598566378
],
[
6.311111391925965,
4.1078412943977884,
0.4485956004275709
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Ag",
"Ag",
"Te",
"Te",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.09090909090909091,
0.5454545454545454,
0.18181818181818182
] |
[
[
0.7909196,
0.01070705,
0.05153139
],
[
0.01070702,
0.81264186,
0.02478887
],
[
0.05153145,
0.02478889,
0.75711095
]
] | -39.043974
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0.00231878,
-0.00060921,
-0.00072961
],
[
-0.00231878,
0.00060921,
0.00072961
],
[
0.00136755,
-0.00771643,
-0.00397776
],
[
-0.00136755,
0.00771643,
0.00397776
],
[
-0.00339633,
-0.00534254,
0.00289077
],
[
-0.00305744,
0.00295519,
0.00049962
],
[
-0.00324806,
-0.00053516,
-0.00543011
],
[
0.00305744,
-0.00295519,
-0.00049962
],
[
0.00324806,
0.00053516,
0.00543011
],
[
0.00339633,
0.00534254,
-0.00289077
]
] | -0
| 7.589972
|
pbe
| true
|
4a2193be5fd2fb359b3fd336b97f7f4b_2_Cs1Ag2Te2S6
|
[
"Ag",
"Cu",
"H",
"Na"
] | 10
|
A6B2CD
|
AgCuH6Na2
|
Na2 Cu1 Ag1 H6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.15438424,
0.00130755,
-0.00640373
],
[
0.00127369,
5.15438272,
-0.00645755
],
[
2.57318554,
2.5732393,
3.63346194
]
] |
agm004929577
|
[
[
5.153491978860173,
2.5754016007907863,
1.8103084084971783
],
[
2.575353420015486,
5.153525826960273,
1.8102747803612287
],
[
5.155657824244603,
5.155690370390119,
-0.01285916886338
],
[
2.5778287028995215,
2.577845439775984,
-0.0064271457703896995
],
[
2.5745973237824042,
2.574632968344076,
1.859878137529513
],
[
3.9657278026969784,
3.965727533864594,
-0.009656917322934801
],
[
1.1832531891100704,
3.972426526113323,
-0.00643768966867
],
[
3.97240479957548,
1.183264060379652,
-0.0064089220800293
],
[
3.76311374301984,
3.7632039768148733,
3.63027140883025
],
[
5.154246474465999,
5.154296002400558,
1.7607277278432525
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Na",
"Na",
"Cu",
"Ag",
"H",
"H",
"H",
"H",
"H",
"H"
] |
2023-11-16 06:57:59
|
[
0.1,
0.1,
0.6,
0.2
] |
[
[
-0.17568436,
0.00005322,
0.01753762
],
[
0.00005322,
-0.17568389,
0.01754031
],
[
0.01753679,
0.01753948,
0.07201517
]
] | -29.76402
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.00020828,
0.00020828,
0
],
[
0.00020828,
-0.00020828,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00072121,
0.00072116,
-0.00514998
],
[
-0.00005577,
-0.00005578,
-0.00062577
],
[
0.00400946,
-0.00400943,
4e-8
],
[
-0.00400946,
0.00400943,
-4e-8
],
[
0.00005577,
0.00005578,
0.00062577
],
[
-0.00072121,
-0.00072116,
0.00514998
]
] | -0.000006
| 0.711367
|
pbe
| true
|
421f23db342627783f42316d6b5862a3_12_Na2Cu1Ag1H6
|
[
"Ag",
"Cu",
"Mg",
"Y"
] | 4
|
ABCD
|
AgCuMgY
|
Y1 Mg1 Cu1 Ag1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.85054515,
0,
0
],
[
2.42527257,
4.20069532,
0
],
[
2.42527257,
1.40023177,
3.96045353
]
] |
agm001316542
|
[
[
7.275817717500001,
4.2006953175,
2.9703401475
],
[
2.4252725725000004,
1.4002317725000002,
0.9901133825
],
[
0,
0,
0
],
[
4.850545145000001,
2.8004635450000004,
1.980226765
]
] |
[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Mg",
"Cu",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
-2.2301402,
0,
0
],
[
0,
-2.2301402,
0
],
[
0,
0,
-2.2301402
]
] | -15.929002
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000015
| 4.513988
|
pbe
| true
|
f20af4a199b1cd823b9ddaf962cf6e51_216_Y1Mg1Cu1Ag1
|
[
"Ag",
"Cu",
"Mg",
"Pd"
] | 4
|
ABCD
|
AgCuMgPd
|
Mg1 Cu1 Ag1 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.45322112,
0,
0
],
[
2.22661056,
3.85660262,
0
],
[
2.22661056,
1.28553421,
3.63603982
]
] |
agm001340221
|
[
[
6.67983168,
3.8566026224999996,
2.727029865
],
[
2.22661056,
1.2855342075,
0.909009955
],
[
0,
0,
0
],
[
4.45322112,
2.571068415,
1.81801991
]
] |
[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Mg",
"Cu",
"Pd",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
-2.8082345,
0,
0
],
[
0,
-2.8082345,
0
],
[
0,
0,
-2.8082345
]
] | -14.82204
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000007
| 2.018818
|
pbe
| true
|
75b4010b74e7848bb396304ba1636db7_216_Mg1Cu1Ag1Pd1
|
[
"Ag",
"Dy",
"Hg",
"Lu"
] | 4
|
ABCD
|
AgDyHgLu
|
Dy1 Lu1 Ag1 Hg1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.1515576,
0,
0
],
[
2.5757788,
4.46137975,
0
],
[
2.5757788,
1.48712658,
4.20622916
]
] |
agm001355063
|
[
[
5.1515576,
2.974253165,
2.10311458
],
[
7.7273364,
4.4613797475000005,
3.1546718700000005
],
[
2.5757788,
1.4871265825,
1.05155729
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Lu",
"Hg",
"Ag",
"Dy"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
3.25206,
0,
0
],
[
0,
3.25206,
0
],
[
0,
0,
3.25206
]
] | -13.890297
|
[
-0.001,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000939
| 4.663963
|
pbe
| true
|
559c77feb1d562d59623f85c1f580058_216_Dy1Lu1Ag1Hg1
|
[
"Ag",
"Er",
"Ir",
"Pu"
] | 4
|
ABCD
|
AgErIrPu
|
Er1 Pu1 Ag1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.96740501,
0,
0
],
[
2.48370251,
4.30189893,
0
],
[
2.48370251,
1.43396631,
4.05586921
]
] |
agm001916783
|
[
[
2.4837025075000003,
1.43396631,
1.0139673025
],
[
4.967405015000001,
2.86793262,
2.027934605
],
[
0,
0,
0
],
[
7.451107522500001,
4.30189893,
3.0419019075
]
] |
[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Er",
"Ir",
"Ag",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
4.4640765,
0,
0
],
[
0,
4.4640765,
0
],
[
0,
0,
4.4640765
]
] | -32.065637
|
[
0.177,
-0.18,
0.045,
5.236
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.580883
| 10.984806
|
pbe
| true
|
5ee75962b963af9d58a00e42c8af2a76_216_Er1Pu1Ag1Ir1
|
[
"Ag",
"Eu",
"Ru",
"Y"
] | 4
|
ABCD
|
AgEuRuY
|
Eu1 Y1 Ag1 Ru1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03858628,
0,
0
],
[
2.51929314,
4.36354371,
0
],
[
2.51929314,
1.45451457,
4.11398847
]
] |
agm001308067
|
[
[
0,
0,
0
],
[
7.557879419999999,
4.36354371,
3.0854913525
],
[
5.03858628,
2.90902914,
2.056994235
],
[
2.51929314,
1.45451457,
1.0284971175
]
] |
[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
|
[
"Eu",
"Ru",
"Y",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
4.048947,
0,
0
],
[
0,
4.048947,
0
],
[
0,
0,
4.048947
]
] | -29.385147
|
[
6.734,
-0.213,
0.038,
0.013
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.833879
| 11.111609
|
pbe
| true
|
5a735d25be683fe4dbcad364719dc567_216_Eu1Y1Ag1Ru1
|
[
"Ag",
"F",
"Na",
"V"
] | 10
|
A6B2CD
|
AgF6Na2V
|
Na2 V1 Ag1 F6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.68389575,
0,
-0.27254768
],
[
0,
5.90401305,
0
],
[
-2.51683315,
-2.95200652,
4.52697725
]
] |
agm004956866
|
[
[
-0.11490412693780826,
0.000002984027325572207,
2.2093042550810775
],
[
3.2819667269378074,
2.9520035459726746,
2.045125314918922
],
[
0,
2.952006525,
0
],
[
2.841947875,
0,
-0.13627384
],
[
1.0667725455007915,
2.952009478925197,
1.6396936065057754
],
[
-1.3412877054987344,
-1.3898477376140663,
3.704912463490455
],
[
4.508350305498734,
1.562158784123667,
0.5495171065095446
],
[
-1.3412877054987344,
1.3898477458763334,
3.704912463490455
],
[
4.508350305498734,
4.341854267614067,
0.5495171065095446
],
[
2.1002900544992076,
-0.000002948925197177061,
2.6147359634942244
]
] |
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
|
[
"Na",
"Na",
"V",
"Ag",
"F",
"F",
"F",
"F",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.1,
0.6,
0.2,
0.1
] |
[
[
1.9035006,
0,
-0.2189708
],
[
0,
2.1340423,
0
],
[
-0.21897088,
0,
2.1561677
]
] | -48.888631
|
[
0,
0,
1.91,
-0.004,
-0.004,
0.003,
0.003,
0.003,
0.003,
-0.004
] |
[
[
0.00091173,
0,
-0.00045415
],
[
-0.00091173,
0,
0.00045415
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00232891,
0,
0.00621973
],
[
-0.00305374,
0.00125112,
0.00032879
],
[
0.00305374,
0.00125112,
-0.00032879
],
[
-0.00305374,
-0.00125112,
0.00032879
],
[
0.00305374,
-0.00125112,
-0.00032879
],
[
-0.00232891,
0,
-0.00621973
]
] | 1.99982
| 0
|
pbe
| true
|
1f15ce12c779bdfe6cb6719d3796b791_12_Na2V1Ag1F6
|
[
"Ag",
"Ga",
"Gd",
"Pu"
] | 4
|
ABCD
|
AgGaGdPu
|
Gd1 Pu1 Ga1 Ag1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.15611992,
0,
0
],
[
2.57805996,
4.46533083,
0
],
[
2.57805996,
1.48844361,
4.20995428
]
] |
agm001348756
|
[
[
0,
0,
0
],
[
2.57805996,
1.48844361,
1.05248857
],
[
7.73417988,
4.46533083,
3.15746571
],
[
5.15611992,
2.97688722,
2.10497714
]
] |
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Gd",
"Ga",
"Ag",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
3.2795095,
0,
0
],
[
0,
3.2795095,
0
],
[
0,
0,
3.2795095
]
] | -35.204772
|
[
7.121,
-0.027,
0.041,
5.36
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 12.990879
| 10.065503
|
pbe
| true
|
42a5dea909b017ebb3f03bc46c8ce2af_216_Gd1Pu1Ga1Ag1
|
[
"Ag",
"Ga",
"I",
"Li"
] | 5
|
A2BCD
|
AgGaI2Li
|
Li1 Ga1 Ag1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.57513788,
0,
0
],
[
0,
4.92695426,
0
],
[
0,
0,
5.57513788
]
] |
agm001515075
|
[
[
0,
0,
2.78756894
],
[
2.78756894,
0,
0
],
[
2.78756894,
2.46347713,
2.78756894
],
[
0,
2.46347713,
0
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"I",
"I",
"Ga",
"Ag",
"Li"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.5535208,
0,
0
],
[
0,
1.6588699,
0
],
[
0,
0,
1.5535208
]
] | -11.376624
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 3.386126
|
pbe
| true
|
69cf7e3cb93f36a4aa7f706535c6d993_123_Li1Ga1Ag1I2
|
[
"Ag",
"Ga",
"La",
"Pd"
] | 9
|
A5B2CD
|
AgGa5LaPd2
|
La1 Ga5 Ag1 Pd2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.44435179,
0,
0
],
[
0,
4.44435179,
0
],
[
0,
0,
10.01477555
]
] |
agm005170952
|
[
[
0,
0,
5.007387775
],
[
0,
2.222175895,
1.5364202961746924
],
[
2.222175895,
0,
1.5364202961746924
],
[
0,
2.222175895,
8.478355253825308
],
[
2.222175895,
0,
8.478355253825308
],
[
2.222175895,
2.222175895,
5.007387775
],
[
0,
0,
0
],
[
2.222175895,
2.222175895,
2.67131919770079
],
[
2.222175895,
2.222175895,
7.343456352299209
]
] |
[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"La",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ag",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.5555555555555556,
0.1111111111111111,
0.2222222222222222
] |
[
[
4.756737,
0,
0
],
[
0,
4.756737,
0
],
[
0,
0,
4.819276
]
] | -35.872658
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00175903
],
[
0,
0,
-0.00175903
],
[
0,
0,
0.00175903
],
[
0,
0,
0.00175903
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00405171
],
[
0,
0,
0.00405171
]
] | 0.000021
| 4.010809
|
pbe
| true
|
cb203f94772df4fa89e6ad0de5bfffb5_123_La1Ga5Ag1Pd2
|
[
"Ag",
"Ga",
"I",
"Sb"
] | 5
|
A2BCD
|
AgGaI2Sb
|
Ga1 Ag1 Sb1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.72208856,
0,
0
],
[
0,
5.72208856,
0
],
[
0,
0,
5.40504464
]
] |
agm001711068
|
[
[
0,
2.86104428,
0
],
[
2.86104428,
0,
0
],
[
0,
0,
2.70252232
],
[
0,
0,
0
],
[
2.86104428,
2.86104428,
2.70252232
]
] |
[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"I",
"I",
"Sb",
"Ga",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.6373408,
0,
0
],
[
0,
1.6373408,
0
],
[
0,
0,
1.738947
]
] | -11.020441
|
[
0.067,
0.067,
0.338,
-0.004,
0.02
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.099079
| 4.571118
|
pbe
| true
|
85ac8077fb37210b437676d78d305963_123_Ga1Ag1Sb1I2
|
[
"Ag",
"Ga",
"Mg",
"Mn"
] | 4
|
ABCD
|
AgGaMgMn
|
Mg1 Mn1 Ga1 Ag1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.56133615,
0,
0
],
[
2.28066807,
3.95023298,
0
],
[
2.28066807,
1.31674433,
3.72431537
]
] |
agm001348460
|
[
[
4.561336145,
2.633488655,
1.862157685
],
[
0,
0,
0
],
[
6.8420042174999995,
3.9502329825,
2.7932365275
],
[
2.2806680725,
1.3167443275,
0.9310788425
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Mg",
"Mn",
"Ga",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
5.5750504,
0,
0
],
[
0,
5.5750504,
0
],
[
0,
0,
5.5750504
]
] | -16.692016
|
[
-0.018,
3.609,
-0.082,
0.012
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.64756
| 1.542239
|
pbe
| true
|
f055758311b3b62281f3a1d40b748e5a_216_Mg1Mn1Ga1Ag1
|
[
"Ag",
"Ga",
"Na",
"Sb"
] | 4
|
ABCD
|
AgGaNaSb
|
Na1 Ga1 Ag1 Sb1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.0122746,
0,
0
],
[
2.5061373,
4.34075713,
0
],
[
2.5061373,
1.44691904,
4.09250507
]
] |
agm001348347
|
[
[
0,
0,
0
],
[
5.0122746,
2.893838085,
2.046252535
],
[
7.518411899999999,
4.3407571275,
3.0693788024999997
],
[
2.5061373,
1.4469190425,
1.0231262675
]
] |
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sb",
"Ga",
"Ag",
"Na"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
3.1351569,
0,
0
],
[
0,
3.1351569,
0
],
[
0,
0,
3.1351569
]
] | -11.621095
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003
| 1.411352
|
pbe
| true
|
27368f60d5087b216042893e637d6a8f_216_Na1Ga1Ag1Sb1
|
[
"Ag",
"Ge",
"Lu",
"Pr"
] | 4
|
ABCD
|
AgGeLuPr
|
Pr1 Lu1 Ag1 Ge1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.1427766,
0,
0
],
[
2.5713883,
4.45377519,
0
],
[
2.5713883,
1.48459173,
4.19905951
]
] |
agm001286657
|
[
[
5.1427766,
2.96918346,
2.099529755
],
[
2.5713883,
1.48459173,
1.0497648775
],
[
0,
0,
0
],
[
7.7141649,
4.45377519,
3.1492946324999997
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Pr",
"Ge",
"Lu",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
2.6560955,
0,
0
],
[
0,
2.6560955,
0
],
[
0,
0,
2.6560955
]
] | -18.686966
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00025
| 3.352765
|
pbe
| true
|
68c6f137c8471281cd4854e4be07a49a_216_Pr1Lu1Ag1Ge1
|
[
"Ag",
"Ge",
"Se",
"Te"
] | 8
|
A4B2CD
|
Ag2GeSe4Te
|
Ag2 Ge1 Te1 Se4
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.99972547,
-0.14133765,
-0.36173895
],
[
-0.11688341,
5.83218177,
-0.8797763
],
[
-3.42490352,
-3.74551276,
7.62677754
]
] |
agm004785333
|
[
[
-0.14666762697392197,
2.690252120966095,
4.766101903175805
],
[
-0.3181694829663943,
-0.1277192946033157,
3.5168369938062565
],
[
2.6814878042787305,
2.4579337161954524,
2.7637884980313228
],
[
5.767039043596137,
1.755406458991299,
-0.27375973560493666
],
[
1.7820343090425055,
1.0975824318949305,
4.546020802576195
],
[
3.901290505777171,
0.7868411433618567,
1.4716720721163579
],
[
1.1400883560269914,
3.7353540548643687,
1.3421257643338242
],
[
-1.9246979091698877,
-1.5655805950342856,
5.204859582372681
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Ge",
"Te",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.25,
0.125,
0.5,
0.125
] |
[
[
1.9241816,
-0.12900846,
0.05423085
],
[
-0.12900847,
1.8204633,
0.06744432
],
[
0.05423097,
0.06744436,
1.6850007
]
] | -28.334856
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00148654,
-0.00077403,
0.00120401
],
[
-0.00197553,
-0.00042604,
0.00068584
],
[
0.00588392,
0.00036517,
0.0063241
],
[
-0.0002886,
-0.00058034,
-0.00146562
],
[
0.00218671,
0.00282353,
-0.00324985
],
[
-0.00327348,
0.00037776,
-0.00066641
],
[
-0.00052438,
0.00126273,
-0.00362988
],
[
-0.00349519,
-0.00304879,
0.0007978
]
] | 0
| -0.012126
|
pbe
| true
|
9c7b3efdd9157612cd0668a704c8c4df_1_Ag2Ge1Te1Se4
|
[
"Ag",
"H",
"Ni",
"Pt"
] | 5
|
A2BCD
|
AgHNi2Pt
|
Ni2 Ag1 H1 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.87782322,
0,
0
],
[
0,
3.87782322,
0
],
[
0,
0,
3.73196141
]
] |
agm001620603
|
[
[
0,
1.93891161,
0
],
[
1.93891161,
0,
0
],
[
1.93891161,
1.93891161,
1.865980705
],
[
0,
0,
1.865980705
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ni",
"Ni",
"Ag",
"Pt",
"H"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
53.70858,
0,
0
],
[
0,
53.70858,
0
],
[
0,
0,
56.904366
]
] | -23.353114
|
[
0.462,
0.462,
0.006,
0.13,
-0.003
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.022301
| 4.368399
|
pbe
| true
|
afd9b9945aca9530274e589c84a6966e_123_Ni2Ag1H1Pt1
|
[
"Ag",
"Hf",
"Lu",
"Re"
] | 4
|
ABCD
|
AgHfLuRe
|
Lu1 Hf1 Re1 Ag1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.78327252,
0,
0
],
[
2.39163626,
4.14243552,
0
],
[
2.39163626,
1.38081184,
3.90552566
]
] |
agm001353335
|
[
[
7.174908779999999,
4.14243552,
2.929144245
],
[
0,
0,
0
],
[
4.78327252,
2.76162368,
1.95276283
],
[
2.39163626,
1.38081184,
0.976381415
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Re",
"Lu",
"Hf",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
4.4508514,
0,
0
],
[
0,
4.4508514,
0
],
[
0,
0,
4.4508514
]
] | -30.274275
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000006
| 2.767311
|
pbe
| true
|
b49d5f102d78db8ec93e54fdde1fb1a5_216_Lu1Hf1Re1Ag1
|
[
"Ag",
"H",
"S",
"Te"
] | 16
|
A4B2CD
|
Ag2HS4Te
|
Ag4 Te2 H2 S8
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.48897758,
0.45947913,
0.19882581
],
[
0.45422202,
7.48930042,
0.19882383
],
[
-3.8116809,
-3.81434662,
5.40271518
]
] |
agm004869943
|
[
[
3.744501498648689,
0.2297615684996844,
0.09943307134068179
],
[
1.8386476886222112,
-1.6774237743803748,
2.800755905413275
],
[
-1.9058380756127837,
-1.907152221483964,
2.701358680669186
],
[
0.15992464853282343,
0.1600150703750496,
5.601537706817866
],
[
2.065732985886565,
2.0672204022200305,
2.9002011467872664
],
[
3.677269147928828,
-3.3548544508927374,
5.601520882532391
],
[
0.22711088035081142,
3.7446445932085917,
0.09944046599388962
],
[
5.8102434094928705,
2.2969504519017914,
2.9995495816198434
],
[
2.512306311315721,
5.918017120619309,
0.5257593066925632
],
[
3.6384558929666357,
0.01027211132259605,
2.5732479502150607
],
[
0.4930387401447773,
4.124096566392752,
3.2271081710134353
],
[
1.619327954612427,
-1.7835833507552852,
5.274620171446973
],
[
2.75790871090687,
1.6631600745444166,
5.677120550027459
],
[
4.536031366140947,
3.4425527880046305,
3.0234364661129343
],
[
-0.4045350387080945,
0.6919272571389707,
2.7769313228810266
],
[
1.3735685161006248,
2.4712615324722798,
0.1232550312036561
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ag",
"Ag",
"Ag",
"Ag",
"Te",
"Te",
"H",
"H",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.25,
0.125,
0.5,
0.125
] |
[
[
2.7148178,
0.15557565,
0.00255664
],
[
0.15557565,
2.7150376,
0.00256382
],
[
0.00255776,
0.00256494,
2.8651385
]
] | -54.80344
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0014619,
-0.00310805,
0.00025684
],
[
0.00310908,
-0.00145971,
-0.00025684
],
[
-0.00310908,
0.00145971,
0.00025684
],
[
-0.0014619,
0.00310805,
-0.00025684
],
[
0.00377193,
-0.00362472,
-0.00344639
],
[
0.00362736,
-0.00376938,
0.00344639
],
[
-0.00362736,
0.00376938,
-0.00344639
],
[
-0.00377193,
0.00362472,
0.00344639
]
] | 0.000323
| 6.936247
|
pbe
| true
|
22efa159e080bb7397d4345b935ab322_15_Ag4Te2H2S8
|
[
"Ag",
"Hf",
"Mg",
"Pt"
] | 4
|
ABCD
|
AgHfMgPt
|
Hf1 Mg1 Ag1 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.66577726,
0,
0
],
[
2.33288863,
4.04068163,
0
],
[
2.33288863,
1.34689388,
3.80959118
]
] |
agm001298650
|
[
[
4.66577726,
2.693787755,
1.90479559
],
[
0,
0,
0
],
[
2.33288863,
1.3468938775,
0.952397795
],
[
6.998665889999999,
4.0406816325,
2.857193385
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Mg",
"Hf",
"Ag",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
4.645689,
0,
0
],
[
0,
4.645689,
0
],
[
0,
0,
4.645689
]
] | -22.733321
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001
| 2.481482
|
pbe
| true
|
83371036250f6efa296a20576bd2089e_216_Hf1Mg1Ag1Pt1
|
[
"Ag",
"Hf",
"Mn",
"S"
] | 11
|
A6B2C2D
|
Ag2Hf2MnS6
|
Hf2 Mn1 Ag2 S6
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.07749972,
-0.14746567,
0.72850261
],
[
-3.13204202,
5.2103802,
0.72850261
],
[
-0.32051425,
-0.55092839,
7.63930216
]
] |
agm004585648
|
[
[
-0.14571747468162177,
3.104325506266561,
4.5481536899999995
],
[
2.7706609246816214,
1.4076606337334394,
4.54815369
],
[
-0.160257125,
-0.275464195,
3.81965108
],
[
4.724975552804346,
0.6393938967263267,
0.72850261
],
[
-1.7795178528043467,
4.423520633273673,
0.72850261
],
[
1.6802796536724673,
2.888214032942909,
6.242094253844172
],
[
4.745354305292571,
0.8813772673756802,
6.134183066994052
],
[
0.9446637963275321,
1.6237721070570914,
2.854213126155828
],
[
-1.5792302419481354,
4.560838216960284,
6.134183066994052
],
[
-2.1204108552925716,
3.6306088726243204,
2.962124313005948
],
[
4.204173691948134,
-0.04885207696028339,
2.962124313005948
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Hf",
"Hf",
"Mn",
"Ag",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.18181818181818182,
0.09090909090909091,
0.5454545454545454
] |
[
[
1.8710324,
-0.03540158,
0.0063503
],
[
-0.03540158,
1.8307766,
0.01091546
],
[
0.00635031,
0.01091548,
2.2402997
]
] | -69.295061
|
[
-0.104,
-0.104,
1.421,
-0.014,
-0.014,
-0.007,
-0.006,
-0.007,
-0.006,
-0.006,
-0.006
] |
[
[
-0.00554669,
0.00322691,
0
],
[
0.00554669,
-0.00322691,
0
],
[
0,
0,
0
],
[
-0.00314939,
0.00183223,
0
],
[
0.00314939,
-0.00183223,
0
],
[
-0.0002279,
-0.00039174,
-0.00777169
],
[
-0.00148267,
-0.00008503,
-0.00120811
],
[
0.0002279,
0.00039174,
0.00777169
],
[
0.0006589,
-0.00133094,
-0.00120811
],
[
0.00148267,
0.00008503,
0.00120811
],
[
-0.0006589,
0.00133094,
0.00120811
]
] | 0.971939
| 3.728969
|
pbe
| true
|
573c881bb7328303ae99999134343405_12_Hf2Mn1Ag2S6
|
[
"Ag",
"Hg",
"Ho",
"In"
] | 4
|
ABCD
|
AgHgHoIn
|
Ho1 In1 Ag1 Hg1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.03805099,
0,
0
],
[
2.51902549,
4.36308014,
0
],
[
2.51902549,
1.45436005,
4.1135514
]
] |
agm001353533
|
[
[
2.5190254925000004,
1.4543600475,
1.02838785
],
[
5.038050985000001,
2.908720095,
2.0567757
],
[
0,
0,
0
],
[
7.557076477500001,
4.363080142499999,
3.0851635500000003
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"In",
"Hg",
"Ag",
"Ho"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
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0,
0
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[
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4.8417044,
0
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[
0,
0,
4.8417044
]
] | -11.787798
|
[
0,
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0
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[
[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000002
| 2.416401
|
pbe
| true
|
e32c395b06dcb0463252c45be5248f3e_216_Ho1In1Ag1Hg1
|
[
"Ag",
"Hg",
"Tb",
"Y"
] | 4
|
ABCD
|
AgHgTbY
|
Tb1 Y1 Ag1 Hg1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.2182598,
0,
0
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2.6091299,
4.51914555,
0
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2.6091299,
1.50638185,
4.26069128
]
] |
agm001317577
|
[
[
2.6091299,
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5.2182598,
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2.13034564
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0,
0,
0
]
] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Tb",
"Hg",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
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0.25,
0.25
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[
[
3.1216798,
0,
0
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[
0,
3.1216798,
0
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[
0,
0,
3.1216798
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[
0,
0,
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0
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[
[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
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| 4.089847
|
pbe
| true
|
d43466effe1ff5a45a7fae6e4d52ea52_216_Tb1Y1Ag1Hg1
|
[
"Ag",
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"Th",
"Tm"
] | 7
|
A2B2C2D
|
Ag2Hg2ThTm2
|
Tm2 Th1 Ag2 Hg2
| 4
|
[
1,
1,
1
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|
[
[
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0,
0
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2.44897242,
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2.44897242,
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agm004551330
|
[
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2.4489699981449653,
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1.7445606965974916
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|
[
"Tm",
"Tm",
"Th",
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"Ag",
"Hg",
"Hg"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.2857142857142857,
0.14285714285714285,
0.2857142857142857
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[
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[
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3.3174357
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[
0,
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[
[
0,
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0,
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0.00559004
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[
0,
0,
-0.00347154
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[
0,
0,
0.00347154
]
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| 8.227406
|
pbe
| true
|
1cf473d76a40060fd4f113ae1b83f67b_166_Tm2Th1Ag2Hg2
|
[
"Ag",
"I",
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"Tl"
] | 11
|
A6B2C2D
|
Ag2I6K2Tl
|
K2 Tl1 Ag2 I6
| 4
|
[
1,
1,
1
] | 3
|
[
[
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[
0,
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agm004578661
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1.3851323871031045
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"K",
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"Tl",
"Ag",
"Ag",
"I",
"I",
"I",
"I",
"I",
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] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
0.5454545454545454,
0.18181818181818182,
0.09090909090909091
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[
[
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0
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[
0,
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[
0,
0.01752755,
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] | -27.032198
|
[
0,
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0
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[
[
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[
0.00201712,
0.00346736,
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[
0,
0.00127781,
0.00045212
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| 3.828111
|
pbe
| true
|
4bdb70bcb8ab27e7572c7afac6096917_12_K2Tl1Ag2I6
|
[
"Ag",
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"Pb"
] | 18
|
A5B2CD
|
AgI5In2Pb
|
In4 Ag2 Pb2 I10
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.68517042,
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0
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0
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[
0,
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15.11722119
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] |
agm005160971
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[
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9.524238445658997e-18,
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[
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0.916447765937625,
0.5961291746177982
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"In",
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] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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[
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0
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[
0,
0,
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[
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[
0,
0.00315472,
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[
0,
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| 0
|
pbe
| true
|
c5b062d16dd5ca259965f3eb6cdcc054_36_In4Ag2Pb2I10
|
[
"Ag",
"In",
"Pd",
"Zr"
] | 4
|
ABCD
|
AgInPdZr
|
Zr1 In1 Ag1 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.74708201,
0,
0
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2.37354101,
4.11109362,
0
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[
2.37354101,
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3.87597623
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] |
agm001352042
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[
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2.3735410075,
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[
7.1206230225,
4.11109362,
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[
4.747082015,
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1.937988115
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] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Zr",
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"In"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
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[
[
5.21773,
0,
0
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[
0,
5.21773,
0
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[
0,
0,
5.21773
]
] | -21.022347
|
[
0,
0,
0,
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
]
] | -0.000001
| 1.900334
|
pbe
| true
|
bc0bfed13c01668a0b7b4ec56ae667ac_216_Zr1In1Ag1Pd1
|
[
"Ag",
"Ir",
"Li",
"Tm"
] | 4
|
ABCD
|
AgIrLiTm
|
Li1 Tm1 Ag1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.67295929,
0,
0
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[
2.33647965,
4.04690146,
0
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[
2.33647965,
1.34896715,
3.81545528
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] |
agm001350049
|
[
[
0,
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2.86159146
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[
4.672959294999999,
2.697934305,
1.90772764
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[
2.3364796474999996,
1.3489671525,
0.95386382
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] |
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ir",
"Tm",
"Ag",
"Li"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
3.1023054,
0,
0
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[
0,
3.1023054,
0
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[
0,
0,
3.1023054
]
] | -19.577268
|
[
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
]
] | -0.000002
| 0.859408
|
pbe
| true
|
e2642a8a467eff5c14b6157a88ab6aed_216_Li1Tm1Ag1Ir1
|
[
"Ag",
"Ir",
"Nd",
"Tb"
] | 4
|
ABCD
|
AgIrNdTb
|
Tb1 Nd1 Ag1 Ir1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.0684554,
0,
0
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[
2.5342277,
4.38941113,
0
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[
2.5342277,
1.46313704,
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]
] |
agm001350729
|
[
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5.0684554,
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2.06918825
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[
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4.389411127500001,
3.1037823749999998
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[
0,
0,
0
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[
2.5342277,
1.4631370425,
1.034594125
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Nd",
"Ir",
"Tb",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.25,
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0.25,
0.25
] |
[
[
2.412644,
0,
0
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[
0,
2.412644,
0
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[
0,
0,
2.412644
]
] | -23.108008
|
[
0,
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0,
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| 3.051301
|
pbe
| true
|
0e75551099061a122f85fce621f71456_216_Tb1Nd1Ag1Ir1
|
[
"Ag",
"K",
"Mn",
"Te"
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|
A2BCD
|
AgKMnTe2
|
K2 Mn2 Ag2 Te4
| 4
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[
1,
1,
1
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[
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agm004996074
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|
[
"K",
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"Mn",
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"Te",
"Te",
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2023-11-16 06:57:59
|
[
0.2,
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[
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0.039,
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0.068
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0.00497617,
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| -0.103275
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pbe
| true
|
62c2c352b95db2d402c3c7a53e675c30_67_K2Mn2Ag2Te4
|
[
"Ag",
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|
A2BCD
|
Ag2KOsSn
|
K1 Ag2 Sn1 Os1
| 4
|
[
1,
1,
1
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[
[
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agm001521111
|
[
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"K",
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2023-11-16 06:57:59
|
[
0.4,
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0.2
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[
[
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[
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[
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[
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[
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[
0,
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0,
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| 6.131476
|
pbe
| true
|
2a997999568559d0f7892a5ccd43b7fb_123_K1Ag2Sn1Os1
|
[
"Ag",
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"Se"
] | 11
|
A6B2C2D
|
AgK2Np2Se6
|
K2 Np2 Ag1 Se6
| 4
|
[
1,
1,
1
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|
[
[
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agm004584012
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"K",
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"Se",
"Se",
"Se",
"Se",
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2023-11-16 06:57:59
|
[
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| 18.305424
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pbe
| true
|
2087a938d45a3288eb51a9ab264f0e13_12_K2Np2Ag1Se6
|
[
"Ag",
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|
A4B2CD
|
Ag2KS4Te
|
K2 Ag4 Te2 S8
| 4
|
[
1,
1,
1
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|
[
[
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agm004774380
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
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2023-11-16 06:57:59
|
[
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[
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| 6.651846
|
pbe
| true
|
ee0033061a04988680952e23a4b17115_15_K2Ag4Te2S8
|
[
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|
A4B2CD
|
Ag2KS4Th
|
K1 Th1 Ag2 S4
| 4
|
[
1,
1,
1
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[
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agm004788354
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"K",
"Th",
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"S",
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2023-11-16 06:57:59
|
[
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[
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| 2.901247
|
pbe
| true
|
c20e0c93ad791c2014dd92e3356ef017_23_K1Th1Ag2S4
|
[
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|
A4B2CD
|
Ag4LaLiZn2
|
Li1 La1 Zn2 Ag4
| 4
|
[
1,
1,
1
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[
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agm004798895
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4.58472198292361,
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Li",
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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[
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[
0,
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| 3.452511
|
pbe
| true
|
e72f6375898ca60719adb5d4701625e6_166_Li1La1Zn2Ag4
|
[
"Ag",
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] | 5
|
A2BCD
|
AgLaNS2
|
La1 Ag1 S2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
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5.64845511,
0,
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[
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[
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agm001771133
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[{"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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"S",
"S",
"N",
"Ag",
"La"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
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0,
0
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[
0,
0.21760476,
0
],
[
0,
0,
-0.01357705
]
] | -22.460709
|
[
0.445,
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0.49,
0.021,
0.013
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[
[
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0
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.166117
| 5.03021
|
pbe
| true
|
ed4704f7636f8894e2f9676e1c3d2112_123_La1Ag1S2N1
|
[
"Ag",
"La",
"Ni",
"Y"
] | 4
|
ABCD
|
AgLaNiY
|
La1 Y1 Ni1 Ag1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.12300404,
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0
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4.43665165,
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agm001317059
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[
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3.1371864675000003
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5.12300404,
2.957767765,
2.091457645
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Ni",
"Ag",
"La"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
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[
[
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0,
0
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[
0,
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0
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[
0,
0,
-2.047286
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[
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[
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[
0,
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0
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[
0,
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[
0,
0,
0
]
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| 2.488206
|
pbe
| true
|
bf7e9a648ba53db3d2781f453171be70_216_La1Y1Ni1Ag1
|
[
"Ag",
"Mo",
"Nb",
"Pb"
] | 5
|
A2BCD
|
AgMoNbPb2
|
Nb1 Ag1 Mo1 Pb2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.2604471,
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0
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[
0,
5.29402142,
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5.2604471
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agm001498899
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[
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[
0,
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pb",
"Pb",
"Mo",
"Nb",
"Ag"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
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[
[
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0,
0
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[
0,
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0
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[
0,
0,
4.8005924
]
] | -22.643155
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[
-0.017,
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3.34,
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[
[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
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| 5.264913
|
pbe
| true
|
9a492424663f269352b40bead6c47c1c_123_Nb1Ag1Mo1Pb2
|
[
"Ag",
"Mo",
"O",
"Ti"
] | 9
|
A6BCD
|
AgMoO6Ti
|
Ti1 Ag1 Mo1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.16139591,
0.13333572,
0.19981278
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[
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agm005074908
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1.7144965945999315
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3.4032663345242877,
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1.524052390562111
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Ti",
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"O",
"O",
"O",
"O",
"O",
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] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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0.6666666666666666,
0.1111111111111111
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[
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[
0,
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[
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0.00239087,
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[
0.00035618,
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] | 0
| 2.913452
|
pbe
| true
|
59a997e8a4d36855c482387d62559c2a_1_Ti1Ag1Mo1O6
|
[
"Ag",
"Nb",
"Pa",
"S"
] | 11
|
A6B2C2D
|
Ag2Nb2PaS6
|
Pa1 Nb2 Ag2 S6
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.25376985,
0.05555167,
0.57588287
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[
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0.57588287
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agm004585633
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[
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2.951185118944675
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2.951185118944675
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pa",
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"Nb",
"Ag",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.18181818181818182,
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0.09090909090909091,
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[
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[
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0,
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[
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[
0.00168668,
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| 3.462978
|
pbe
| true
|
469c9795129cd1ccdf1b4c3f03c2be24_12_Pa1Nb2Ag2S6
|
[
"Ag",
"Na",
"Rb",
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] | 5
|
A2BCD
|
AgNaRb2S
|
Rb2 Na1 Ag1 S1
| 4
|
[
1,
1,
1
] | 3
|
[
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6.46622315,
0,
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[
0,
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agm001605640
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Na",
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2023-11-16 06:57:59
|
[
0.2,
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0.2
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[
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[
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[
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|
[
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[
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[
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0,
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[
0,
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| -0.000188
|
pbe
| true
|
9b6616f537dbd15b4ddff69182d4f114_123_Rb2Na1Ag1S1
|
[
"Ag",
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] | 18
|
A6BCD
|
AgNpO6Si
|
Np2 Si2 Ag2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.18257033,
0,
0
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[
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0,
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agm005076009
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0.8304302730259442,
1.7466184270139027,
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Np",
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"O",
"O",
"O",
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2023-11-16 06:57:59
|
[
0.1111111111111111,
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[
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[
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[
0,
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[
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[
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[
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0.00148021
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[
0.00010638,
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| -0.18241
|
pbe
| true
|
6809765684091a7ee54b4c7d61879b45_163_Np2Si2Ag2O12
|
[
"Ag",
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] | 4
|
ABCD
|
AgNiPdSb
|
Ni1 Ag1 Sb1 Pd1
| 4
|
[
1,
1,
1
] | 3
|
[
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[
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agm001347976
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|
[
"Sb",
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2023-11-16 06:57:59
|
[
0.25,
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| 2.638714
|
pbe
| true
|
38dcdf1f1254cb5f63a5fe9919279fb6_216_Ni1Ag1Sb1Pd1
|
[
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"Pm"
] | 12
|
A8B2CD
|
AgO8OsPm2
|
Pm2 Ag1 Os1 O8
| 4
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[
1,
1,
1
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[
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agm004901249
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|
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2023-11-16 06:57:59
|
[
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| 2.872427
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pbe
| true
|
fd2d5cefcd40aec8769a12aada02ced1_2_Pm2Ag1Os1O8
|
[
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A6BCD
|
AgO6PdPu
|
Pu2 Ag2 Pd2 O12
| 4
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[
1,
1,
1
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[
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agm005078766
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|
[
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2023-11-16 06:57:59
|
[
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| 5.335273
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pbe
| true
|
e969a1dff784b29c361bd07c8f5afb81_163_Pu2Ag2Pd2O12
|
[
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A6BCD
|
AgO6PuTa
|
Pu2 Ta2 Ag2 O12
| 4
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1
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[
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agm005078760
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|
[
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2023-11-16 06:57:59
|
[
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| 14.029495
|
pbe
| true
|
2a4f033cc8a0b60f09d366d6159e0765_163_Pu2Ta2Ag2O12
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[
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A5B2CD
|
AgPaPb2S5
|
Pa2 Ag2 Pb4 S10
| 4
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1
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[
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agm005158454
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
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2023-11-16 06:57:59
|
[
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pbe
| true
|
4e1d321f4619f1fe66218bde557930a4_36_Pa2Ag2Pb4S10
|
[
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|
A2BCD
|
AgPbSb2Ti
|
Ti1 Ag1 Sb2 Pb1
| 4
|
[
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1
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[
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agm001546901
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[
2.87972436,
2.617623515,
2.87972436
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[
0,
2.617623515,
0
]
] |
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]
|
[
"Pb",
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"Ag",
"Ti"
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2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
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[
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0
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[
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1.5358222,
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[
0,
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2.357213
]
] | -16.741941
|
[
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0.001
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[
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[
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0
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[
0,
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0,
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0
]
] | 0.001035
| 14.738669
|
pbe
| true
|
13188edc42724135a31ab8979b140c6e_123_Ti1Ag1Sb2Pb1
|
[
"Ag",
"Ru",
"Sn",
"Tb"
] | 4
|
ABCD
|
AgRuSnTb
|
Tb1 Ag1 Sn1 Ru1
| 4
|
[
1,
1,
1
] | 3
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[
[
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agm001308767
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0.9841775575
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|
[
"Ru",
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"Sn",
"Ag"
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2023-11-16 06:57:59
|
[
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0.25
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[
[
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[
0,
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4.952094
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[
0,
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[
[
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[
0,
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0
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[
0,
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[
0,
0,
0
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| 2.735444
|
pbe
| true
|
c88e961f4491cad09a0197ed6d21387e_216_Tb1Ag1Sn1Ru1
|
[
"Ag",
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"Sc",
"Tb"
] | 12
|
A6B3C2D
|
Ag3S6Sc2Tb
|
Tb1 Sc2 Ag3 S6
| 4
|
[
1,
1,
1
] | 3
|
[
[
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agm004640292
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5.298323541224882,
2.7363259651139127
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|
[
"Tb",
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"Sc",
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"S",
"S",
"S",
"S",
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2023-11-16 06:57:59
|
[
0.25,
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0.08333333333333333
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[
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[
0.00053259,
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[
0.00030568,
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| 0
|
pbe
| true
|
c81f628e02a3989e2caa669036572477_12_Tb1Sc2Ag3S6
|
[
"Ag",
"Sr",
"Tl",
"Tm"
] | 7
|
A2B2C2D
|
Ag2SrTl2Tm2
|
Sr1 Tm2 Tl2 Ag2
| 4
|
[
1,
1,
1
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|
[
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agm004550794
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|
[
"Sr",
"Tm",
"Tm",
"Tl",
"Tl",
"Ag",
"Ag"
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2023-11-16 06:57:59
|
[
0.2857142857142857,
0.14285714285714285,
0.2857142857142857,
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[
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| 6.555265
|
pbe
| true
|
ad44cf847ba8d80298a223a67cb80e99_166_Sr1Tm2Tl2Ag2
|
[
"Ag",
"Te",
"Tl",
"Tm"
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|
A2BCD
|
AgTe2TlTm
|
Tm2 Tl2 Ag2 Te4
| 4
|
[
1,
1,
1
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|
[
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agm004996062
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|
[
"Tm",
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"Tl",
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"Te",
"Te",
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2023-11-16 06:57:59
|
[
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[
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[
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[
0.00077263,
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| 4.966879
|
pbe
| true
|
882b96f0fe19eb9532ca302ea3cb6649_13_Tm2Tl2Ag2Te4
|
[
"Al",
"As",
"Nb",
"Se"
] | 5
|
A2BCD
|
AlAsNbSe2
|
Nb1 Al1 As1 Se2
| 4
|
[
1,
1,
1
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|
[
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agm001786436
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[
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|
[
"Nb",
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2023-11-16 06:57:59
|
[
0.2,
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[
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[
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[
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[
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[
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[
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[
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[
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| 2.161641
|
pbe
| true
|
88d11ff15be184a6c7b13ab64ef7eff8_123_Nb1Al1As1Se2
|
[
"Al",
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"Tc"
] | 5
|
A2BCD
|
AlAsSe2Tc
|
Al1 Tc1 As1 Se2
| 4
|
[
1,
1,
1
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|
[
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[
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agm001786473
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"As",
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2023-11-16 06:57:59
|
[
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0.2
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[
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[
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[
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[
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[
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[
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| 3.09603
|
pbe
| true
|
4a035d5152788117e111491494e70086_123_Al1Tc1As1Se2
|
[
"Al",
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|
A9B3C2D
|
Al2Au9Ca3Si
|
Ca3 Al2 Si1 Au9
| 4
|
[
1,
1,
1
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|
[
[
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agm004676165
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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
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2023-11-16 06:57:59
|
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000001
| 6.141921
|
pbe
| true
|
7babd97547bd155e469c795bb5c150f4_164_Ca3Al2Si1Au9
|
[
"Al",
"Au",
"O",
"Sr"
] | 10
|
A6B2CD
|
AlAuO6Sr2
|
Sr2 Al1 Au1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.46869095,
-0.00315591,
-0.0018006
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[
0.00295446,
5.46874608,
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4.10387912
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agm002364437
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2.0360118999132317
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[
2.728623141056458,
2.740266285423296,
2.063922112955769
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|
[
"Sr",
"Sr",
"Au",
"Al",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.1,
0.6,
0.2
] |
[
[
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[
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[
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[
[
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[
-0.00184424,
0.00209505,
0.00388473
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[
0.00175081,
-0.00205387,
-0.00391629
]
] | 0
| -0.171963
|
pbe
| true
|
5ad1bb70e5628a395e7896217fddef06_2_Sr2Al1Au1O6
|
[
"Al",
"Au",
"Ta",
"Te"
] | 5
|
A2BCD
|
AlAuTaTe2
|
Ta1 Al1 Te2 Au1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0,
0
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[
0,
4.70364068,
0
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[
0,
0,
5.30500628
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agm001519840
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[
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0,
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2.65250314
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[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]
|
[
"Te",
"Te",
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"Al",
"Ta"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
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0.4
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[
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[
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0.02,
1.902
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[
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0,
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0
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[
0,
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[
0,
0,
0
]
] | 2.657276
| 4.980588
|
pbe
| true
|
4e0a50e830c72527417b7dd041a09762_123_Ta1Al1Te2Au1
|
[
"Al",
"B",
"Ca",
"O"
] | 14
|
A4BCD
|
AlBCaO4
|
Ca2 Al2 B2 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
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[
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agm005056033
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1.4333774175
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0.8179160346803712,
0.8804532017171749,
1.4333774175
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Ca",
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"Al",
"B",
"B",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.14285714285714285,
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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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[
0.00209514,
0.00179688,
0
]
] | 0
| 0
|
pbe
| true
|
34fddafadb131f7ed8acb56cfec0d2e8_63_Ca2Al2B2O8
|
[
"Al",
"Ba",
"Mg",
"Na"
] | 4
|
ABCD
|
AlBaMgNa
|
Ba1 Na1 Mg1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
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0
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agm001387155
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[
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3.18237,
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Na",
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"Ba",
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] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
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[
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0
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[
0,
0.0091904,
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[
0,
0,
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] | -8.592452
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[
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
]
] | 0.000028
| 3.403232
|
pbe
| true
|
00ff81e92c060afdd9800fd1e80511ba_216_Ba1Na1Mg1Al1
|
[
"Al",
"Ba",
"Se",
"Y"
] | 14
|
A4BCD
|
AlBaSe4Y
|
Ba2 Y2 Al2 Se8
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.83199366,
0,
0.01887241
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[
0,
7.04945397,
0
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[
-2.65264713,
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] |
agm005052244
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[
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5.2870904775,
4.943627969601094
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[
2.6707647257659097,
1.7623634925,
3.4347338003989063
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Ba",
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"Y",
"Y",
"Al",
"Al",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
0.14285714285714285
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[
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0,
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[
0,
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0
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[
0.00984295,
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] | -74.311385
|
[
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0,
0,
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[
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[
-0.00139842,
0,
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[
0.00139842,
0,
0.00851718
]
] | 0
| -0.000041
|
pbe
| true
|
8328d1dceacde92518fe5fff91b95635_11_Ba2Y2Al2Se8
|
[
"Al",
"Be",
"Cd",
"In"
] | 5
|
A2BCD
|
AlBeCdIn2
|
Be1 Al1 Cd1 In2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.51618012,
0,
0
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[
0,
4.40128244,
0
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[
0,
0,
5.51618012
]
] |
agm001441649
|
[
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[
0,
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0
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[
0,
0,
2.75809006
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[
2.75809006,
0,
0
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] |
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Be",
"Cd",
"Al",
"In",
"In"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.6255719,
0,
0
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[
0,
6.366604,
0
],
[
0,
0,
0.6255719
]
] | -11.152525
|
[
0,
0,
0,
0,
0
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[
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0
| 2.473501
|
pbe
| true
|
db1e72dd18ac670846810f5f3b27cbec_123_Be1Al1Cd1In2
|
[
"Al",
"Be",
"Co",
"P"
] | 5
|
A2BCD
|
Al2BeCoP
|
Be1 Al2 Co1 P1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.35734872,
0,
0
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[
0,
3.9762004,
0
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[
0,
0,
4.35734872
]
] |
agm001438445
|
[
[
0,
1.9881002,
0
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[
2.17867436,
1.9881002,
2.17867436
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[
0,
0,
2.17867436
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[
2.17867436,
0,
0
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[
0,
0,
0
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"P",
"Co",
"Al",
"Al",
"Be"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
0.35725108,
0,
0
],
[
0,
-4.8946147,
0
],
[
0,
0,
0.35725108
]
] | -20.024967
|
[
0.001,
1.39,
-0.016,
-0.011,
0.027
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.296079
| 6.763799
|
pbe
| true
|
7d4dc846404be85566827e1a5fb3e842_123_Be1Al2Co1P1
|
[
"Al",
"Be",
"Ir",
"Y"
] | 10
|
A4B3C2D
|
AlBe3Ir4Y2
|
Y2 Be3 Al1 Ir4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.06534668,
0,
0
],
[
0,
4.06534668,
0
],
[
0,
0,
9.53761666
]
] |
agm004523593
|
[
[
2.03267334,
0,
2.218818454752242
],
[
0,
2.03267334,
7.318798205247757
],
[
0,
0,
4.76880833
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[
2.03267334,
0,
8.471799348008824
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[
0,
2.03267334,
1.0658173119911745
],
[
2.03267334,
2.03267334,
4.76880833
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[
2.03267334,
2.03267334,
0
],
[
0,
0,
0
],
[
2.03267334,
0,
6.122976120344454
],
[
0,
2.03267334,
3.414640539655545
]
] |
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Be",
"Be",
"Be",
"Al",
"Ir",
"Ir",
"Ir",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.1,
0.3,
0.4,
0.2
] |
[
[
-0.55455935,
0,
0
],
[
0,
-0.55455935,
0
],
[
0,
0,
-0.2606149
]
] | -70.443762
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00289349
],
[
0,
0,
0.00289349
],
[
0,
0,
0
],
[
0,
0,
-0.00026376
],
[
0,
0,
0.00026376
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00432496
],
[
0,
0,
-0.00432496
]
] | 0.000003
| 2.964657
|
pbe
| true
|
d92ae3d678127acc65a9bf9bd947f985_115_Y2Be3Al1Ir4
|
[
"Al",
"Be",
"Ni",
"Th"
] | 12
|
A3BCD
|
AlBeNi3Th
|
Th2 Be2 Al2 Ni6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.23588841,
0,
0
],
[
0,
6.15698791,
0
],
[
0,
-3.07849396,
5.75848696
]
] |
agm005045673
|
[
[
3.9269163075,
-3.371261183691923e-8,
3.371792494955772
],
[
1.3089721025,
3.0784939837126113,
2.386694465044228
],
[
1.3089721025,
-3.7903210070760645e-9,
4.365302925712571
],
[
3.9269163075,
3.078493953790321,
1.3931840342874287
],
[
1.3089721025,
3.0784970287956757,
5.410996247037064
],
[
3.9269163075,
-0.0000030787956755103443,
0.347490712962936
],
[
1.3089721025,
0.000003107483992726629,
2.0671835492014967
],
[
0,
1.9002574074317964,
0
],
[
2.617944205,
1.1782365425682033,
5.75848696
],
[
2.617944205,
1.9002574074317964,
0
],
[
0,
1.1782365425682033,
5.75848696
],
[
3.9269163075,
3.0784908425160076,
3.691303410798503
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Th",
"Th",
"Be",
"Be",
"Al",
"Al",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] |
[
[
-5.3471847,
0,
0
],
[
0,
-5.5593085,
0
],
[
0,
0,
-5.2351894
]
] | -67.605764
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00097101
],
[
0,
0,
0.00097101
],
[
0,
0,
0.00030573
],
[
0,
0,
-0.00030573
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[
0,
0,
-0.00338693
],
[
0,
0,
0.00338693
],
[
0,
0,
-0.01132335
],
[
0,
0.00127688,
0
],
[
0,
-0.00127688,
0
],
[
0,
0.00127688,
0
],
[
0,
-0.00127688,
0
],
[
0,
0,
0.01132335
]
] | 0
| 6.313843
|
pbe
| true
|
34a29756ca7ed63b3942e4bd50f17e0f_63_Th2Be2Al2Ni6
|
[
"Al",
"Be",
"Os",
"Sr"
] | 5
|
A2BCD
|
Al2BeOsSr
|
Sr1 Be1 Al2 Os1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.76198917,
0,
0
],
[
0,
4.76198917,
0
],
[
0,
0,
4.5853129
]
] |
agm001666848
|
[
[
2.380994585,
2.380994585,
2.29265645
],
[
0,
0,
0
],
[
0,
2.380994585,
0
],
[
2.380994585,
0,
0
],
[
0,
0,
2.29265645
]
] |
[{"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"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
|
[
"Sr",
"Os",
"Al",
"Al",
"Be"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
0.4203842,
0,
0
],
[
0,
0.4203842,
0
],
[
0,
0,
0.13039109
]
] | -25.114297
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001
| 1.11161
|
pbe
| true
|
2aca0f47cd0e67f193b50e48766787e1_123_Sr1Be1Al2Os1
|
[
"Al",
"Bi",
"C",
"Er"
] | 14
|
A4BCD
|
AlBiCEr4
|
Er8 Al2 Bi2 C2
| 4
|
[
1,
1,
1
] | 3
|
[
[
6.72724596,
0,
0
],
[
0,
6.72704962,
0
],
[
-3.36362298,
0,
7.86141636
]
] |
agm005058194
|
[
[
3.36362298,
1.681762405,
6.478863969455438
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[
-7.555379533986866e-17,
5.045287215,
6.348237260162734
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[
2.2420605997136533e-17,
5.045287215,
1.3825523905445616
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[
3.3636229800000006,
1.681762405,
1.5131790998372665
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[
1.68181149,
3.36352481,
3.93070818
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[
-1.68181149,
0,
3.93070818
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[
1.68181149,
0,
3.93070818
],
[
-1.68181149,
3.36352481,
3.93070818
],
[
-3.3636229911139624e-8,
1.681762405,
1.807329008251914
],
[
3.36362301363623,
5.045287215,
6.054087351748086
],
[
3.36362298,
5.045287215,
1.654179734158627
],
[
-5.8983918616831906e-18,
1.681762405,
6.2072366258413725
],
[
-7.639737781562413e-18,
5.045287215,
3.9179753583783623
],
[
3.36362298,
1.681762405,
3.9434410016216375
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
|
[
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Al",
"Al",
"Bi",
"Bi",
"C",
"C"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.14285714285714285,
0.14285714285714285,
0.5714285714285714
] |
[
[
-0.0835719,
0,
0
],
[
0,
-0.04847038,
0
],
[
0,
0,
0.09860322
]
] | -77.249019
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00147226
],
[
0,
0,
-0.00023985
],
[
0,
0,
0.00147226
],
[
0,
0,
0.00023985
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00255202
],
[
0,
0,
-0.00255202
],
[
0,
0,
-0.00171999
],
[
0,
0,
0.00171999
],
[
0,
0,
-0.00357241
],
[
0,
0,
0.00357241
]
] | -0.00002
| 2.340401
|
pbe
| true
|
c68abbfbd1fabf2218aa013388d918ea_63_Er8Al2Bi2C2
|
[
"Al",
"Br",
"F",
"O"
] | 5
|
A2BCD
|
AlBrF2O
|
Al1 Br1 O1 F2
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.6608026,
0,
0
],
[
0,
3.6608026,
0
],
[
0,
0,
4.37720138
]
] |
agm001698237
|
[
[
0,
0,
2.18860069
],
[
0,
0,
0
],
[
1.8304013,
1.8304013,
2.18860069
],
[
0,
1.8304013,
0
],
[
1.8304013,
0,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"O",
"Al",
"Br",
"F",
"F"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.1885309,
0,
0
],
[
0,
1.1885309,
0
],
[
0,
0,
8.659196
]
] | -22.917991
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 1.429678
|
pbe
| true
|
63e886e7c4248bcdc000c8820f33d02a_123_Al1Br1O1F2
|
[
"Al",
"Bi",
"Ru",
"Te"
] | 5
|
A2BCD
|
AlBiRuTe2
|
Al1 Bi1 Te2 Ru1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.17638729,
0,
0
],
[
0,
5.23127236,
0
],
[
0,
0,
5.17638729
]
] |
agm001566889
|
[
[
2.588193645,
2.61563618,
2.588193645
],
[
0,
0,
2.588193645
],
[
2.588193645,
0,
0
],
[
0,
2.61563618,
0
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
|
[
"Ru",
"Te",
"Te",
"Bi",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
1.8024787,
0,
0
],
[
0,
1.765098,
0
],
[
0,
0,
1.8024787
]
] | -17.588973
|
[
-0.009,
0.001,
0,
0.001,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.005855
| 3.629014
|
pbe
| true
|
6ccc485813698e5da017b358ca8a9655_123_Al1Bi1Te2Ru1
|
[
"Al",
"Br",
"I",
"Pr"
] | 6
|
A2B2CD
|
Al2BrIPr2
|
Al2 Br1 I1 Pr2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.36103692,
0,
0
],
[
-2.18051846,
3.776768759,
0
],
[
0,
0,
12.266749553
]
] |
oqmd-6565024
|
[
[
2.1805199999999996,
1.25892,
0.21459
],
[
0,
0,
12.140930000000004
],
[
0,
0,
3.99199
],
[
2.1805199999999996,
1.25892,
8.088600000000001
],
[
-6.621596920963479e-17,
2.51785,
2.2154900000000004
],
[
-6.621596920963479e-17,
2.51785,
10.14865
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
|
[
"Al",
"Al",
"Br",
"I",
"Pr",
"Pr"
] |
2024-11-01 00:00:00
|
[
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] |
[
[
1.6456494,
0,
0
],
[
0,
1.6456494,
0
],
[
0,
0,
0.87569128
]
] | -26.4691
|
[
0,
0,
0,
0,
0.001,
0
] |
[
[
0,
0,
0.008209
],
[
0,
0,
-0.037575
],
[
0,
0,
0.010161
],
[
0,
0,
-0.002723
],
[
0,
0,
0.030804
],
[
0,
0,
-0.008876
]
] | 0.002428
| null |
pbe
| true
|
cf1df4a977aa270bb9467233413a9d59_156_Pr2Al2I1Br1
|
[
"Al",
"C",
"Nd",
"Sm"
] | 5
|
A2BCD
|
AlCNdSm2
|
Nd1 Sm2 Al1 C1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.08797651,
0,
0
],
[
0,
5.0200542,
0
],
[
0,
0,
5.0200542
]
] |
agm005013536
|
[
[
2.543988255,
0,
0
],
[
0,
0,
2.5100271
],
[
0,
2.5100271,
0
],
[
2.543988255,
2.5100271,
2.5100271
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
|
[
"Nd",
"Sm",
"Sm",
"Al",
"C"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.07961016,
0,
0
],
[
0,
0.04447316,
0
],
[
0,
0,
0.04447316
]
] | -28.340104
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 2.213026
|
pbe
| true
|
b7998dc7c5f74adfdb934bcbe5322ba7_123_Nd1Sm2Al1C1
|
[
"Al",
"Ca",
"Ge",
"Na"
] | 6
|
A2B2CD
|
Al2CaGe2Na
|
Na1 Ca1 Al2 Ge2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.24564302,
0,
0
],
[
-2.12282151,
3.67683471,
0
],
[
0,
0,
9.21276353
]
] |
agm004742845
|
[
[
0,
0,
0
],
[
0,
0,
4.606381765
],
[
-2.1228215118665255e-8,
2.451223152256116,
6.863290947992515
],
[
2.1228215312282153,
1.2256115577438842,
2.3494725820074844
],
[
-2.1228215118665255e-8,
2.451223152256116,
2.3950928050935154
],
[
2.1228215312282153,
1.2256115577438842,
6.817670724906485
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Na",
"Ca",
"Al",
"Al",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666
] |
[
[
1.2115023,
0,
0
],
[
0,
1.2115023,
0
],
[
0,
0,
1.5430259
]
] | -21.521555
|
[
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00302776
],
[
0,
0,
0.00302776
],
[
0,
0,
-0.00245019
],
[
0,
0,
0.00245019
]
] | 0.000005
| 2.353481
|
pbe
| true
|
8f281e71183328ce1dd3b574d224ee62_164_Na1Ca1Al2Ge2
|
[
"Al",
"Ce",
"Ho",
"Pr"
] | 4
|
ABCD
|
AlCeHoPr
|
Ce1 Pr1 Ho1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.41707489,
0,
0
],
[
2.70853745,
4.69132447,
0
],
[
2.70853745,
1.56377482,
4.42302313
]
] |
agm001409739
|
[
[
2.7085374475,
1.5637748224999999,
1.1057557825
],
[
5.417074895,
3.1275496449999998,
2.211511565
],
[
8.1256123425,
4.691324467499999,
3.3172673474999996
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Pr",
"Ho",
"Ce",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.1134449,
0,
0
],
[
0,
1.1134449,
0
],
[
0,
0,
1.1134449
]
] | -19.078418
|
[
0.028,
0.126,
0.565,
-0.006
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.82795
| 9.206055
|
pbe
| true
|
a592aca3ca36cb4aec757307e47df7d9_216_Ce1Pr1Ho1Al1
|
[
"Al",
"Co",
"Ga",
"Sr"
] | 5
|
A2BCD
|
AlCoGa2Sr
|
Sr1 Al1 Ga2 Co1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.65403434,
0,
0
],
[
0,
4.65403434,
0
],
[
0,
0,
4.60341323
]
] |
agm001650254
|
[
[
2.32701717,
2.32701717,
2.301706615
],
[
0,
0,
0
],
[
0,
0,
2.301706615
],
[
0,
2.32701717,
0
],
[
2.32701717,
0,
0
]
] |
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Sr",
"Co",
"Al",
"Ga",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
2.159887,
0,
0
],
[
0,
2.159887,
0
],
[
0,
0,
2.05237
]
] | -20.234227
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000011
| 2.331856
|
pbe
| true
|
5096dfaf2dde0491f84397f3e17949d9_123_Sr1Al1Ga2Co1
|
[
"Al",
"Co",
"H",
"Np"
] | 9
|
A6BCD
|
AlCoH6Np
|
Np1 Al1 Co1 H6
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.26212831,
-0.00002041,
-0.00004167
],
[
2.13107791,
3.69112837,
0.00005995
],
[
0.00004228,
-0.00009268,
4.40462706
]
] |
agm005098955
|
[
[
4.262071495160399,
-0.0000949281940981,
4.404541212956878
],
[
4.26205943996227,
2.4607181885554357,
2.2022831695055003
],
[
2.1309876738155813,
1.2303424952299373,
2.202275842766687
],
[
1.1452766514787849,
1.799473764704978,
0.9758099297830727
],
[
2.1309968889443756,
0.09211900569264529,
3.4287409194568057
],
[
3.116706304712186,
1.7994118979290423,
3.428764816662468
],
[
1.145301582784264,
1.7994222611045287,
3.4287864692220347
],
[
3.1166824816041054,
1.7994642134847723,
0.9757925497186924
],
[
2.130974514879047,
0.0921679993668599,
0.9757615169303191
]
] |
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
|
[
"Np",
"Al",
"Co",
"H",
"H",
"H",
"H",
"H",
"H"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
0.1111111111111111,
0.6666666666666666,
0.1111111111111111
] |
[
[
14.329423,
0.00083919,
0.00021998
],
[
0.00083914,
14.317479,
-0.00092163
],
[
0.00021986,
-0.00092164,
13.550262
]
] | -45.086303
|
[
3.826,
-0.003,
0.387,
-0.003,
-0.003,
-0.003,
-0.003,
-0.003,
-0.003
] |
[
[
0.00000746,
0.00001337,
0.0000083
],
[
-0.00000733,
-0.00001052,
-0.00000825
],
[
0.00001991,
0.00002583,
-0.00000518
],
[
-0.00830076,
0.00477982,
0.01777131
],
[
-0.0000042,
-0.00958565,
-0.01778496
],
[
0.00829056,
0.00478577,
-0.01776115
],
[
-0.00830027,
0.00478289,
-0.01776963
],
[
0.00829708,
0.00477847,
0.01776511
],
[
-0.00000245,
-0.00956998,
0.01778444
]
] | 4.474704
| 11.519036
|
pbe
| true
|
14be07ba4b83fc0bc1b0e3a60cc8b30a_187_Np1Al1Co1H6
|
[
"Al",
"Co",
"Hf",
"Pt"
] | 5
|
A2BCD
|
AlCo2HfPt
|
Hf1 Al1 Co2 Pt1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.45218499,
0,
0
],
[
0,
4.96482315,
0
],
[
0,
0,
4.45218499
]
] |
agm001467644
|
[
[
0,
0,
2.226092495
],
[
2.226092495,
0,
0
],
[
0,
0,
0
],
[
2.226092495,
2.482411575,
2.226092495
],
[
0,
2.482411575,
0
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Co",
"Co",
"Hf",
"Al",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.2,
0.2
] |
[
[
-1.6688826,
0,
0
],
[
0,
0.4495714,
0
],
[
0,
0,
-1.6688826
]
] | -28.728965
|
[
0.488,
0.379,
-0.095,
-0.001,
0.002
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.743914
| 3.397443
|
pbe
| true
|
8726ad1b9130eeafb5516b1bfafc912d_123_Hf1Al1Co2Pt1
|
[
"Al",
"Co",
"Os",
"Tc"
] | 5
|
A2BCD
|
AlCoOsTc2
|
Al1 Co1 Tc2 Os1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.67950106,
0,
0
],
[
0,
4.61628738,
0
],
[
0,
0,
4.67950106
]
] |
agm001464371
|
[
[
2.33975053,
2.30814369,
2.33975053
],
[
0,
0,
0
],
[
0,
0,
2.33975053
],
[
2.33975053,
0,
0
],
[
0,
2.30814369,
0
]
] |
[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Co",
"Os",
"Tc",
"Tc",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
0.8104972,
0,
0
],
[
0,
3.6479986,
0
],
[
0,
0,
0.8104972
]
] | -34.85024
|
[
2.06,
-0.056,
0.712,
0.786,
-0.017
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.497767
| 6.664259
|
pbe
| true
|
12217db9b6c8a35ec2c4da9b5a1abbef_123_Al1Co1Tc2Os1
|
[
"Al",
"Cr",
"Cu",
"S"
] | 14
|
A8B3C2D
|
Al2Cr3CuS8
|
Al2 Cr3 Cu1 S8
| 4
|
[
1,
1,
1
] | 3
|
[
[
7.04874926,
0.00185401,
0.00131143
],
[
3.52112845,
6.10626923,
0.00131143
],
[
3.52112771,
2.03479005,
5.75726954
]
] |
agm003215826
|
[
[
0.0839890150757474,
0.04853559037764629,
0.034331665853428
],
[
8.799152430138268,
5.084856128322226,
3.5967746585960043
],
[
3.469223023428355,
0.0283123250193759,
0.0200267302100257
],
[
1.7567532877432708,
1.0151929735638554,
2.8142335133175047
],
[
1.7567536469733036,
2.9916762148633436,
0.0200267302100257
],
[
5.268854355365479,
3.044766705751501,
2.153716733023336
],
[
6.928266837204221,
6.177089117078375,
4.369366025695557
],
[
8.811333232952693,
5.091895173405486,
1.2967996693989505
],
[
8.811332837936076,
2.918514181091403,
4.369366025695557
],
[
10.67096748989795,
6.166541023915664,
4.361904826072396
],
[
7.163807772252127,
1.9800058828170544,
1.4005578114892623
],
[
5.292493400763973,
3.058427242378207,
4.453948596259472
],
[
5.292493793315331,
5.218244386807662,
1.4005578114892623
],
[
3.395108686953201,
1.9619661496081995,
1.3877974026892201
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Al",
"Al",
"Cr",
"Cr",
"Cr",
"Cu",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.21428571428571427,
0.07142857142857142,
0.5714285714285714
] |
[
[
0.5662026,
0.04370785,
0.0309167
],
[
0.04370785,
0.5158257,
0.01786615
],
[
0.0309167,
0.01786615,
0.5032054
]
] | -84.974537
|
[
0.034,
0.022,
2.878,
2.878,
2.878,
-0.037,
-0.036,
-0.036,
-0.036,
-0.048,
-0.063,
-0.063,
-0.063,
-0.096
] |
[
[
-0.00062879,
-0.00036337,
-0.00025703
],
[
0.00160701,
0.00092866,
0.00065689
],
[
-0.00127286,
-0.00050485,
-0.00035711
],
[
-0.00107297,
-0.00062005,
-0.00068327
],
[
-0.00107297,
-0.00085076,
-0.00035711
],
[
0.00738612,
0.0042683,
0.00301918
],
[
-0.00099027,
-0.00021792,
-0.00015415
],
[
-0.00068327,
-0.00039485,
-0.00065508
],
[
-0.00068327,
-0.00074918,
-0.00015415
],
[
0.00175578,
0.00101463,
0.0007177
],
[
0.00043194,
-0.00068042,
-0.00048129
],
[
-0.00037385,
-0.00021604,
0.00083351
],
[
-0.00037385,
0.00071398,
-0.00048129
],
[
-0.00402874,
-0.00232813,
-0.0016468
]
] | 8.993979
| 1.200002
|
pbe
| true
|
99158196e0daa665bab342bc1aed3180_160_Al2Cr3Cu1S8
|
[
"Al",
"Cr",
"Mn",
"Pu"
] | 4
|
ABCD
|
AlCrMnPu
|
Pu1 Mn1 Al1 Cr1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.40411874,
0,
0
],
[
2.20205937,
3.81407871,
0
],
[
2.20205937,
1.27135957,
3.5959479
]
] |
agm001922548
|
[
[
4.40411874,
2.54271914,
1.79797395
],
[
0,
0,
0
],
[
6.606178110000001,
3.81407871,
2.696960925
],
[
2.20205937,
1.27135957,
0.898986975
]
] |
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
|
[
"Cr",
"Mn",
"Al",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
4.0317545,
0,
0
],
[
0,
4.0317545,
0
],
[
0,
0,
4.0317545
]
] | -36.869196
|
[
-1.558,
-1.837,
0.013,
4.641
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.231363
| 7.145211
|
pbe
| true
|
78934f739c045fc2825831e12ac36227_216_Pu1Mn1Al1Cr1
|
[
"Al",
"Cu",
"Dy",
"Pt"
] | 8
|
A4B2CD
|
AlCu2DyPt4
|
Dy1 Al1 Cu2 Pt4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.40161856,
0,
0
],
[
2.20080928,
3.81191349,
0
],
[
2.20080928,
1.27063783,
7.62219727
]
] |
agm004789937
|
[
[
0,
0,
0
],
[
4.40161856,
2.54127566,
3.811098635
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[
6.602427817991908,
3.8119134772936216,
5.778547054309943
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[
2.2008093020080928,
1.270637842706378,
1.8436502156900572
],
[
4.40161856,
2.54127566,
6.232268941660899
],
[
6.602427862008094,
3.8119135027063784,
2.994576011767366
],
[
2.2008092579919074,
1.2706378172936217,
4.627621258232634
],
[
4.40161856,
2.5412756599999997,
1.3899283283391017
]
] |
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Dy",
"Al",
"Cu",
"Cu",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.125,
0.25,
0.125,
0.5
] |
[
[
-2.5039282,
0,
0
],
[
0,
-2.5039282,
0
],
[
0,
0,
-2.8342993
]
] | -46.36152
|
[
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0.0041859
],
[
0,
0,
-0.0041859
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[
0,
0,
0.00493313
],
[
0,
0,
-0.00032066
],
[
0,
0,
0.00032066
],
[
0,
0,
-0.00493313
]
] | 0
| 3.596
|
pbe
| true
|
30b88a395dc4b8639443efa954c0ee12_166_Dy1Al1Cu2Pt4
|
[
"Al",
"Cs",
"Hf",
"Zn"
] | 5
|
A2BCD
|
AlCsHf2Zn
|
Cs1 Hf2 Al1 Zn1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.27561266,
0,
0
],
[
0,
4.73400717,
0
],
[
0,
0,
5.27561266
]
] |
agm001441108
|
[
[
2.63780633,
2.367003585,
2.63780633
],
[
0,
0,
0
],
[
0,
0,
2.63780633
],
[
2.63780633,
0,
0
],
[
0,
2.367003585,
0
]
] |
[{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
|
[
"Cs",
"Zn",
"Hf",
"Hf",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
1.7673664,
0,
0
],
[
0,
0.9152216,
0
],
[
0,
0,
1.7673664
]
] | -20.615442
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00033
| 6.638765
|
pbe
| true
|
f3933fa429d33f17200f045e92766b22_123_Cs1Hf2Al1Zn1
|
[
"Al",
"Cu",
"Er",
"Rh"
] | 4
|
ABCD
|
AlCuErRh
|
Er1 Al1 Cu1 Rh1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.56227796,
0,
0
],
[
2.28113898,
3.95104861,
0
],
[
2.28113898,
1.3170162,
3.72508435
]
] |
agm001345468
|
[
[
6.843416940000001,
3.9510486074999998,
2.7938132625
],
[
4.56227796,
2.634032405,
1.862542175
],
[
2.28113898,
1.3170162025,
0.9312710875
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
|
[
"Rh",
"Al",
"Cu",
"Er"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
-2.1239398,
0,
0
],
[
0,
-2.1239398,
0
],
[
0,
0,
-2.1239398
]
] | -22.075061
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 2.900782
|
pbe
| true
|
eb46cc29e461dcdb0978e3553a97eee4_216_Er1Al1Cu1Rh1
|
[
"Al",
"Cu",
"Dy",
"Y"
] | 4
|
ABCD
|
AlCuDyY
|
Y1 Dy1 Al1 Cu1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.049834,
0,
0
],
[
2.524917,
4.37328453,
0
],
[
2.524917,
1.45776151,
4.12317219
]
] |
agm001317000
|
[
[
7.574750999999999,
4.37328453,
3.0923791425
],
[
5.049834,
2.91552302,
2.061586095
],
[
0,
0,
0
],
[
2.524917,
1.45776151,
1.0307930475
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Al",
"Cu",
"Dy"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
-1.8334522,
0,
0
],
[
0,
-1.8334522,
0
],
[
0,
0,
-1.8334522
]
] | -20.078295
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000225
| 3.871357
|
pbe
| true
|
1e3ad45b82ac373f565184e114e578c1_216_Y1Dy1Al1Cu1
|
[
"Al",
"Cu",
"Ga",
"Pu"
] | 8
|
A4B2CD
|
Al2CuGa4Pu
|
Pu1 Al2 Ga4 Cu1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.54798549,
0,
0
],
[
2.27399275,
3.93867097,
0
],
[
2.27399274,
1.31289032,
7.93988866
]
] |
agm004797905
|
[
[
0,
0,
0
],
[
6.821978234951975,
3.9386709674759874,
6.0121134679344745
],
[
2.2739927450480253,
1.3128903225240125,
1.927775192065525
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[
4.547985487847141,
2.6257806439235702,
6.533963920495161
],
[
6.821978214581723,
3.9386709555319217,
3.189870754067743
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[
2.2739927654182783,
1.3128903344680785,
4.750017905932257
],
[
4.5479854921528595,
2.62578064607643,
1.4059247395048393
],
[
4.54798549,
2.625780645,
3.96994433
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Pu",
"Al",
"Al",
"Ga",
"Ga",
"Ga",
"Ga",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.125,
0.5,
0.125
] |
[
[
-0.15667585,
0,
0
],
[
0,
-0.15667585,
0
],
[
0,
0,
-0.4559244
]
] | -39.134385
|
[
5.241,
-0.014,
-0.014,
0,
0.001,
0.001,
0,
0.005
] |
[
[
0,
0,
0
],
[
0,
0,
0.00209656
],
[
0,
0,
-0.00209656
],
[
0,
0,
0.00007625
],
[
0,
0,
0.00235835
],
[
0,
0,
-0.00235835
],
[
0,
0,
-0.00007625
],
[
0,
0,
0
]
] | 5.528733
| 6.226933
|
pbe
| true
|
bbd9bcfe8550f63d47e4fdb26413a03b_166_Pu1Al2Ga4Cu1
|
[
"Al",
"Cu",
"Ge",
"Pr"
] | 5
|
A2BCD
|
AlCuGe2Pr
|
Pr1 Al1 Cu1 Ge2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.09205658,
0,
0
],
[
0,
4.09205658,
0
],
[
-2.04602829,
-2.04602829,
5.76339201
]
] |
agm005016331
|
[
[
0,
0,
0
],
[
2.0460282899999997,
0,
2.881696005
],
[
0,
2.0460282899999997,
2.881696005
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[
2.0460282695397174,
2.0460282695397174,
1.3276035163329505
],
[
2.04602827580024e-8,
2.04602827580024e-8,
4.435788493667049
]
] |
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Pr",
"Al",
"Cu",
"Ge",
"Ge"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
-1.1964954,
0,
0
],
[
0,
-1.1964954,
0
],
[
0,
0,
-1.509253
]
] | -24.139806
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00209548
],
[
0,
0,
0.00209548
]
] | 0
| 1.456094
|
pbe
| true
|
e0901cc5cd47f6dc0ffbe807c7c31a36_119_Pr1Al1Cu1Ge2
|
[
"Al",
"Cu",
"I",
"Te"
] | 5
|
A2BCD
|
AlCuI2Te
|
Al1 Cu1 Te1 I2
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.47492358,
0,
0
],
[
0,
5.47492358,
0
],
[
0,
0,
5.19049377
]
] |
agm001713542
|
[
[
0,
2.73746179,
0
],
[
2.73746179,
0,
0
],
[
0,
0,
2.595246885
],
[
2.73746179,
2.73746179,
2.595246885
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
|
[
"I",
"I",
"Te",
"Al",
"Cu"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.4,
0.2
] |
[
[
-0.92125124,
0,
0
],
[
0,
-0.92125124,
0
],
[
0,
0,
-0.8819824
]
] | -12.725859
|
[
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0
| 4.195613
|
pbe
| true
|
34c5e27faeda8c0e40677cf4b87a8f16_123_Al1Cu1Te1I2
|
[
"Al",
"Cu",
"O",
"Pr"
] | 15
|
A9B3C2D
|
AlCu2O9Pr3
|
Pr3 Al1 Cu2 O9
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.43066863,
0,
0
],
[
-2.71533432,
4.703097,
0
],
[
0,
0,
6.62632593
]
] |
agm004672659
|
[
[
-3.048667658558749e-8,
3.13539801567699,
4.3979778005557195
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[
0,
0,
0
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[
2.715334340486677,
1.5676989843230098,
2.228348129444281
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[
0,
0,
3.313162965
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[
-3.048667658558749e-8,
3.13539801567699,
1.115667207875577
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[
2.715334340486677,
1.5676989843230098,
5.510658722124423
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[
4.1009438638324145,
0.76771695234759,
4.391482609615874
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[
2.715334284479022,
3.16766314233579,
4.391482609615874
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[
1.3297247102285357,
0.76771695234759,
4.391482609615874
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[
1.3856095997714648,
3.93538004765241,
2.2348433203841265
],
[
2.5520978495689706e-8,
1.53543385766421,
2.2348433203841265
],
[
-1.3856095538324138,
3.93538004765241,
2.2348433203841265
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[
2.715334315,
0,
0
],
[
-1.35766716,
2.3515485,
0
],
[
1.3576671550000001,
2.3515485,
0
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Pr",
"Pr",
"Pr",
"Al",
"Cu",
"Cu",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.06666666666666667,
0.13333333333333333,
0.6,
0.2
] |
[
[
0.3606994,
0,
0
],
[
0,
0.3606994,
0
],
[
0,
0,
0.07434806
]
] | -105.265526
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0.00020453
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[
0,
0,
0
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[
0,
0,
-0.00020453
],
[
0,
0,
0
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[
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0.00166766
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[
0,
0,
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[
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[
0,
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[
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0.00012838
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[
0.00050668,
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[
0,
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[
-0.00050668,
0.00029253,
-0.00012838
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001
| 3.066068
|
pbe
| true
|
9e478a057d110b6b4fa546f64e980a48_164_Pr3Al1Cu2O9
|
[
"Al",
"Cu",
"N",
"Se"
] | 5
|
A2BCD
|
AlCuNSe2
|
Al1 Cu1 Se2 N1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.10066243,
0,
0
],
[
0,
5.10066243,
0
],
[
0,
0,
3.50494917
]
] |
agm001793920
|
[
[
0,
0,
1.752474585
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[
2.550331215,
2.550331215,
1.752474585
],
[
0,
2.550331215,
0
],
[
2.550331215,
0,
0
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
|
[
"N",
"Cu",
"Se",
"Se",
"Al"
] |
2023-11-16 06:57:59
|
[
0.2,
0.2,
0.2,
0.4
] |
[
[
-0.46313155,
0,
0
],
[
0,
-0.46313155,
0
],
[
0,
0,
0.43852794
]
] | -20.708523
|
[
0.6,
0.037,
0.165,
0.165,
-0.005
] |
[
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.40246
| 4.116003
|
pbe
| true
|
0572330b184c2837cdc77a1e61398421_123_Al1Cu1Se2N1
|
[
"Al",
"Cu",
"Pd",
"Ti"
] | 20
|
A5B2C2D
|
Al5Cu2PdTi2
|
Ti4 Al10 Cu4 Pd2
| 4
|
[
1,
1,
1
] | 3
|
[
[
3.77908344,
0,
0
],
[
0,
8.93934095,
0
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[
0,
0,
8.93934095
]
] |
agm005130746
|
[
[
0,
6.071685028798797,
1.6020145537987966
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[
0,
2.867655921201204,
7.337326396201203
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0,
1.6020145537987966,
2.867655921201204
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[
0,
7.337326396201203,
6.071685028798797
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[
1.88954172,
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0.5813041557404486
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[
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7.112332481404292
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[
1.88954172,
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1.8270084685957084
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[
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2.6426620064042914,
5.050974630740448
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[
1.88954172,
5.050974630740448,
6.296678943595708
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[
1.88954172,
3.8883663192595517,
2.6426620064042914
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[
1.88954172,
4.469670475,
0
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[
1.88954172,
0,
4.469670475
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[
0,
1.0406908084091027,
5.510361283409102
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[
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7.898650141590898,
3.428979666590897
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[
0,
5.510361283409102,
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[
0,
3.428979666590897,
1.0406908084091027
],
[
0,
0,
0
],
[
0,
4.469670475,
4.469670475
]
] |
[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Ti",
"Ti",
"Ti",
"Ti",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Cu",
"Cu",
"Cu",
"Cu",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.5,
0.2,
0.1,
0.2
] |
[
[
-2.329462,
0,
0
],
[
0,
-2.3334563,
0
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[
0,
0,
-2.3334563
]
] | -103.326989
|
[
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
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[
[
0,
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0.00224804
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[
0,
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-0.00224804
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[
0,
0.00224804,
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[
0,
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0.00224804
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[
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[
0,
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[
0,
0.01718121,
-0.01718121
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[
0,
-0.01718121,
0.01718121
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000122
| 9.876714
|
pbe
| true
|
ad22ac81e1f21035be458d19e171f7d9_127_Ti4Al10Cu4Pd2
|
[
"Al",
"Dy",
"Ho",
"Tm"
] | 4
|
ABCD
|
AlDyHoTm
|
Dy1 Ho1 Tm1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.7189738,
0,
0
],
[
0,
4.73246781,
0
],
[
0,
0,
4.7352429
]
] |
agm005196108
|
[
[
2.3594869,
2.366233905,
0
],
[
2.3594869,
0,
2.36762145
],
[
0,
2.366233905,
2.36762145
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
|
[
"Dy",
"Ho",
"Tm",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
0.03483451,
0,
0
],
[
0,
0.16339064,
0
],
[
0,
0,
0.24695966
]
] | -18.166709
|
[
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000016
| 4.826192
|
pbe
| true
|
9d89a9cbe0694cde340c68ca3f2b4ba9_47_Dy1Ho1Tm1Al1
|
[
"Al",
"Dy",
"Lu",
"Nd"
] | 4
|
ABCD
|
AlDyLuNd
|
Nd1 Dy1 Lu1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.36758996,
0,
0
],
[
2.68379498,
4.64846926,
0
],
[
2.68379498,
1.54948975,
4.38261885
]
] |
agm001409594
|
[
[
8.05138494,
4.6484692575,
3.2869641375
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[
0,
0,
0
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[
2.68379498,
1.5494897525,
1.0956547125
],
[
5.36758996,
3.098979505,
2.191309425
]
] |
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Lu",
"Nd",
"Al",
"Dy"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
0.59662265,
0,
0
],
[
0,
0.59662265,
0
],
[
0,
0,
0.59662265
]
] | -17.93945
|
[
0.002,
0.001,
0,
0.002
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.006527
| 6.229485
|
pbe
| true
|
00795ae2d0a57e54e7932d558aa9e332_216_Nd1Dy1Lu1Al1
|
[
"Al",
"Dy",
"Pd",
"Pt"
] | 10
|
A4B3C2D
|
Al4Dy2PdPt3
|
Dy2 Al4 Pd1 Pt3
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.12611232,
0,
0
],
[
0,
4.12611232,
0
],
[
0,
0,
10.85407435
]
] |
agm004519546
|
[
[
2.06305616,
0,
2.6529531782492306
],
[
0,
2.06305616,
8.201121171750769
],
[
2.06305616,
2.06305616,
0
],
[
0,
0,
0
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[
2.06305616,
0,
6.860092362333994
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[
0,
2.06305616,
3.993981987666006
],
[
2.06305616,
2.06305616,
5.427037175
],
[
0,
0,
5.427037175
],
[
2.06305616,
0,
9.34767091005324
],
[
0,
2.06305616,
1.5064034399467585
]
] |
[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
|
[
"Dy",
"Dy",
"Al",
"Al",
"Al",
"Al",
"Pd",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.1,
0.3
] |
[
[
3.4551494,
0,
0
],
[
0,
3.4551494,
0
],
[
0,
0,
3.454206
]
] | -58.285439
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
-0.00717658
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[
0,
0,
0.00717658
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00872882
],
[
0,
0,
0.00872882
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00480905
],
[
0,
0,
-0.00480905
]
] | 0.00001
| 5.064223
|
pbe
| true
|
52d669a718b2a0506d2ccfca1ea7b9ea_115_Dy2Al4Pd1Pt3
|
[
"Al",
"Er",
"Ga",
"Tb"
] | 7
|
A2B2C2D
|
Al2Er2Ga2Tb
|
Tb1 Er2 Al2 Ga2
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.34337688,
0,
0
],
[
2.17168844,
3.76147471,
0
],
[
2.17168844,
1.25382491,
9.90384037
]
] |
agm004551871
|
[
[
0,
0,
0
],
[
2.171690633405324,
1.2538261738126977,
6.114945986561765
],
[
6.515063126594676,
3.7614734461873023,
3.788894383438234
],
[
4.343376858283116,
2.5076497953540127,
1.820714981894137
],
[
4.343376901716884,
2.507649824645987,
8.083125388105863
],
[
6.51506749168844,
3.7614759689876736,
7.669687591092138
],
[
2.1716862683115603,
1.2538236510123266,
2.2341527789078612
]
] |
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Tb",
"Er",
"Er",
"Al",
"Al",
"Ga",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.2857142857142857,
0.2857142857142857,
0.2857142857142857,
0.14285714285714285
] |
[
[
1.2782577,
0,
0
],
[
0,
1.2782577,
0
],
[
0,
0,
1.2153978
]
] | -29.927223
|
[
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0
],
[
0,
0,
-0.00229983
],
[
0,
0,
0.00229983
],
[
0,
0,
-0.0009815
],
[
0,
0,
0.0009815
],
[
0,
0,
-0.0039059
],
[
0,
0,
0.0039059
]
] | 0.000153
| 6.222317
|
pbe
| true
|
ddf8543f27399b733fe2e6367b5ba857_166_Tb1Er2Al2Ga2
|
[
"Al",
"F",
"Re",
"Ti"
] | 5
|
A2BCD
|
Al2FReTi
|
Ti1 Al2 Re1 F1
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.9052179,
0,
0
],
[
0,
4.9052179,
0
],
[
0,
0,
3.92111454
]
] |
agm001426297
|
[
[
0,
0,
0
],
[
0,
0,
1.96055727
],
[
0,
2.45260895,
0
],
[
2.45260895,
0,
0
],
[
2.45260895,
2.45260895,
1.96055727
]
] |
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"Re",
"F",
"Al",
"Al",
"Ti"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.2,
0.2
] |
[
[
0.5633354,
0,
0
],
[
0,
0.5633354,
0
],
[
0,
0,
0.6100766
]
] | -28.302219
|
[
0.082,
0.017,
-0.012,
-0.012,
1.413
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.880164
| 5.057994
|
pbe
| true
|
87d52fb145b4bf4ec6e51ac58846a6c1_123_Ti1Al2Re1F1
|
[
"Al",
"Fe",
"Ir",
"O"
] | 18
|
A6BCD
|
AlFeIrO6
|
Al2 Fe2 Ir2 O12
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.96364877,
0,
0
],
[
-2.48182438,
4.29864593,
0
],
[
0,
0,
8.70629598
]
] |
agm005080309
|
[
[
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[
1.6522081243134383,
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5.495833753105195
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[
0.8831499125458958,
1.4678480510481122,
7.563610216894805
]
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Al",
"Al",
"Fe",
"Fe",
"Ir",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1111111111111111,
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0.1111111111111111,
0.6666666666666666
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[
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0
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0,
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[
0,
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[
0.002,
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0.00348201
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[
-0.00061766,
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] | 6.652058
| 10.000407
|
pbe
| true
|
066f973f47450e45a0f96bfaf851bd4a_163_Al2Fe2Ir2O12
|
[
"Al",
"Fe",
"O",
"Sn"
] | 10
|
A6B2CD
|
AlFe2O6Sn
|
Al1 Fe2 Sn1 O6
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.14947347,
0.00004015,
0.00039336
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[
2.57479862,
4.4590833,
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2.57499585,
1.48624779,
4.58770333
]
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agm004949162
|
[
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2.574835085963296,
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0.21836754018777102
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5.149605079606736,
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4.211335499273118,
4.539427750880039,
1.1398367696130665
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1.1404379383042271
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5.907465352721744,
4.244961544445021,
3.4843168054976688
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5.8726870415221555,
1.6803277265023098,
3.4846343770035877
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[
3.6689093299171436,
2.992927108621393,
3.4844480960964406
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
|
[
"Al",
"Fe",
"Fe",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1,
0.2,
0.6,
0.1
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[
[
1.2433006,
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1.3752887,
0.08331834
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1.0778962
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|
[
0.005,
4.29,
0.032,
0.013,
0.089,
0.089,
0.089,
0.073,
0.073,
0.073
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[
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-0.00262105,
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-0.00099996
],
[
-0.00029581,
0.00115115,
-0.00057648
]
] | 4.953787
| 0
|
pbe
| true
|
d19cba660992baf831497c86099219be_146_Al1Fe2Sn1O6
|
[
"Al",
"Ga",
"Ho",
"Pt"
] | 8
|
A4B2CD
|
AlGa2HoPt4
|
Ho1 Al1 Ga2 Pt4
| 4
|
[
1,
1,
1
] | 3
|
[
[
4.32122866,
0,
0
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[
2.16061433,
3.7422938,
0
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[
2.16061433,
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8.44811182
]
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agm004790434
|
[
[
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0
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[
4.32122866,
2.49486253,
4.22405591
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[
6.481843011606143,
3.7422938074765755,
6.333216491367173
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2.1606143083938565,
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4.32122866,
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[
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3.426984247564756
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[
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5.021127572435244
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[
4.32122866,
2.4948625319686277,
1.729377995489265
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] |
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ho",
"Al",
"Ga",
"Ga",
"Pt",
"Pt",
"Pt",
"Pt"
] |
2023-11-16 06:57:59
|
[
0.125,
0.25,
0.125,
0.5
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[
[
3.9551713,
0,
0
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[
0,
3.9551713,
0
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[
0,
0,
4.162557
]
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|
[
0,
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0,
0,
0,
0
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[
[
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[
0,
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[
0,
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[
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[
0,
0,
0.00397126
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[
0,
0,
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[
0,
0,
0.00302155
]
] | 0
| 2.116982
|
pbe
| true
|
eeef93de717915751174627416cdd208_166_Ho1Al1Ga2Pt4
|
[
"Al",
"Ga",
"Li",
"O"
] | 16
|
A8B4C3D
|
Al3GaLi4O8
|
Li4 Al3 Ga1 O8
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.72039521,
0,
0
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[
0,
5.8405814,
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[
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agm004712960
|
[
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2.02395396
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2.063831655
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2.0318312755053918
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2.141881997101204
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[
1.3891234065295721,
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3.997748540564477
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[
1.471074193470428,
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[
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[
2.860197602439053,
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2.0958320344946086
],
[
4.249321016264304,
1.5746055865773423,
0.12991476943552321
]
] |
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Li",
"Li",
"Li",
"Li",
"Al",
"Al",
"Al",
"Ga",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.1875,
0.0625,
0.25,
0.5
] |
[
[
0.7812277,
0,
0
],
[
0,
1.0483955,
0.12806882
],
[
0,
0.12807366,
0.6878978
]
] | -101.890147
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
[
0,
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0
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[
0,
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0
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[
0,
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0
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[
0,
0,
0
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0,
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[
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0
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[
0,
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[
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[
0,
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[
0,
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0.00003705,
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[
0,
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[
0,
0.00116941,
0.00131553
],
[
0.00003705,
0.00131356,
0.00129409
]
] | 0
| 0
|
pbe
| true
|
16dbb907079c7a274978741ff777b5b8_166_Li4Al3Ga1O8
|
[
"Al",
"Gd",
"Lu",
"Pr"
] | 4
|
ABCD
|
AlGdLuPr
|
Pr1 Gd1 Lu1 Al1
| 4
|
[
1,
1,
1
] | 3
|
[
[
5.39924175,
0,
0
],
[
2.69962088,
4.67588052,
0
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[
2.69962088,
1.55862684,
4.40846243
]
] |
agm001409727
|
[
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4.67588052,
3.3063468225
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[
2.6996208774999997,
1.55862684,
1.1021156075
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[
0,
0,
0
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[
5.399241754999999,
3.11725368,
2.204231215
]
] |
[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]
|
[
"Gd",
"Pr",
"Lu",
"Al"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.25,
0.25
] |
[
[
1.181097,
0,
0
],
[
0,
1.181097,
0
],
[
0,
0,
1.181097
]
] | -27.475544
|
[
-7.23,
-0.11,
-0.195,
0.011
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -7.978491
| 5.030341
|
pbe
| true
|
d4706ebb48a14c830232d7a18aa3649d_216_Pr1Gd1Lu1Al1
|