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[
"Os",
"Te"
] | 5 | A4B | OsTe4 | Te4 Os1 | 2 | [
1,
1,
1
] | 3 | [
[
5.24755338,
0,
0
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[
0,
5.24755338,
0
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0,
0,
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] | agm006184162 | [
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] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Te",
"Te",
"Te",
"Te",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
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1.5359584,
0,
0
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0,
1.5359584,
0
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0,
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] | -20.677326 | [
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0,
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0,
0,
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0,
0,
0
]
] | 0.000235 | 8.138212 | pbe | true | c3649c967fa85c9680710bb442fc4a35_221_Te4Os1 |
[
"Mo",
"Ta",
"Tl"
] | 4 | A2BC | Mo2TaTl | Ta1 Tl1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
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3.44513314,
0,
0
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[
0,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
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] | 2023-11-16 06:57:59 | [
0.5,
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0,
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0,
0,
0
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0,
0,
0
]
] | -0.000003 | 2.806078 | pbe | true | 98e14ebb2d9f408787c34483602d6563_123_Ta1Tl1Mo2 |
[
"Pb",
"Sb"
] | 4 | A3B | PbSb3 | Sb3 Pb1 | 2 | [
1,
1,
1
] | 3 | [
[
3.3090775,
0.04278659,
0
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[
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0
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0,
0,
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"Pb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
1.5490527,
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0
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[
0,
0,
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] | -15.342319 | [
0,
0,
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0,
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0.00459873
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[
0,
0,
0
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[
0,
0,
-0.00459873
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] | 0 | 1.892194 | pbe | true | f41d51305069e12b9fd030e79b383ecd_65_Sb3Pb1 |
[
"Pb",
"Se"
] | 4 | AB | PbSe | Pb2 Se2 | 2 | [
1,
1,
1
] | 3 | [
[
4.25798134,
0,
0
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[
-2.12899067,
3.68752001,
0
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[
0,
0,
7.6452658
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] | agm003185589 | [
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"Pb",
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] | 2023-11-16 06:57:59 | [
0.5,
0.5
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2.9875393,
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0,
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0,
0,
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] | -16.3115 | [
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
]
] | -0 | 0.163004 | pbe | true | 02cbb0bd1c9a481eec7c33112d8d5d60_194_Pb2Se2 |
[
"Bi",
"Cs",
"Sn"
] | 5 | A3BC | BiCs3Sn | Cs3 Sn1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
7.33534362,
0,
0
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[
0,
7.33534362,
0
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[
0,
0,
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] | agm002605908 | [
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[
3.66767181,
3.66767181,
3.66767181
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[
0,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"Bi",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.9806601,
0,
0
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[
0,
0.9806601,
0
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[
0,
0,
0.9806601
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] | -9.144435 | [
0.05,
0.054,
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0.74
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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
]
] | 3.946368 | 6.606908 | pbe | true | 2af6341e73861123927c1e336cf24378_221_Cs3Sn1Bi1 |
[
"Pd",
"Pm",
"Sn",
"Tb"
] | 12 | A6B3C2D | Pd6Pm2Sn3Tb | Tb1 Pm2 Sn3 Pd6 | 4 | [
1,
1,
1
] | 3 | [
[
4.05227163,
0,
0
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[
0,
4.05227163,
0
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[
0,
0,
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]
] | agm004661272 | [
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2.026135815,
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2.026135815,
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[
2.026135815,
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14.596218205941328
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[
0,
0,
5.2296982304747
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[
0,
0,
12.769474759525304
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[
0,
0,
0
],
[
0,
2.026135815,
11.053515862879268
],
[
2.026135815,
0,
6.945657127120735
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[
2.026135815,
0,
11.053515862879268
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[
0,
0,
2.5450499423076987
],
[
0,
2.026135815,
6.945657127120735
],
[
0,
0,
15.454123047692303
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Tb",
"Pm",
"Pm",
"Sn",
"Sn",
"Sn",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.25,
0.08333333333333333
] | [
[
3.4781573,
0,
0
],
[
0,
3.4781573,
0
],
[
0,
0,
3.7831898
]
] | -63.508349 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00150452
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[
0,
0,
-0.00150452
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[
0,
0,
0.01239358
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[
0,
0,
-0.01239358
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[
0,
0,
0
],
[
0,
0,
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[
0,
0,
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[
0,
0,
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0,
0,
0.00974955
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[
0,
0,
0.00454349
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[
0,
0,
-0.00974955
]
] | -0.000007 | 7.095383 | pbe | true | 4dd5c52d26d921de669110f1517b4a61_123_Tb1Pm2Sn3Pd6 |
[
"B",
"Fe"
] | 10 | A4B | B4Fe | Fe2 B8 | 2 | [
1,
1,
1
] | 3 | [
[
3.00363327,
0,
0
],
[
0,
4.51571578,
0
],
[
0,
0,
5.28456494
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] | agm003206554 | [
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0,
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Fe",
"Fe",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
4.7493486,
0,
0
],
[
0,
5.51898,
0
],
[
0,
0,
4.8852987
]
] | -72.050998 | [
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
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[
0,
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[
0,
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[
0,
-0.00130196,
-0.00243819
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[
0,
0.00130196,
0.00243819
]
] | 0.003035 | 2.915998 | pbe | true | 6e8ff4e912fdd5ee4856bbe57d11272c_58_Fe2B8 |
[
"B",
"Mo"
] | 4 | AB | BMo | B2 Mo2 | 2 | [
1,
1,
1
] | 3 | [
[
3.0885266,
0,
0
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[
0,
3.16539534,
-0.20771623
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[
0,
-1.31483018,
4.36922572
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] | agm001418019 | [
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Mo",
"Mo",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
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0.32946727,
0,
0
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[
0,
0.3452158,
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[
0,
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] | -37.012619 | [
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0,
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0,
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] | -0 | 1.711293 | pbe | true | 9e2ba58cad421f66023f89b781ccc4c9_63_B2Mo2 |
[
"Ba",
"Se"
] | 4 | AB | BaSe | Ba2 Se2 | 2 | [
1,
1,
1
] | 3 | [
[
5.36618266,
0,
0
],
[
0,
5.3672066,
0
],
[
0,
0,
18.45738501
]
] | agm2000007465 | [
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3.8284912668369744,
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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"]}] | [
"Ba",
"Ba",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
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0.18792045,
0,
0
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0,
0.15792152,
0.01977615
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[
0,
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] | -14.874841 | [
0,
0,
0,
0
] | [
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0,
0
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0,
0
]
] | 0.000056 | 2.91942 | pbe | true | 69af206eb82b1c2a954868f9f5b37ee8_123_Ba2Se2 |
[
"Ba",
"Si"
] | 4 | A3B | BaSi3 | Ba1 Si3 | 2 | [
1,
1,
1
] | 3 | [
[
6.3019604,
0.01800347,
0.01131143
],
[
4.84278227,
4.03267764,
0.01131143
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[
4.84278227,
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3.62828364
]
] | agm003817935 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Ba",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
0.7566639,
0.01369308,
0.00860325
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[
0.01369308,
0.7239667,
0.00312695
],
[
0.00860325,
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]
] | -18.701909 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.0076689,
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0.00175127
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[
0,
0,
0
],
[
-0.0076689,
-0.00278735,
-0.00175127
]
] | -0.000036 | 1.321188 | pbe | true | c895d0e0df9983bea9314f1e058760db_166_Ba1Si3 |
[
"Be",
"Re"
] | 4 | AB | BeRe | Be2 Re2 | 2 | [
1,
1,
1
] | 3 | [
[
2.67154119,
0,
0
],
[
0,
4.33268847,
0
],
[
0,
0,
4.32499236
]
] | agm003909601 | [
[
1.335770595,
0,
2.206097119979938
],
[
0,
2.166344235,
1.3980631656034213
],
[
0,
0,
4.295647027337859
],
[
1.335770595,
2.166344235,
3.6335056182455006
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Re",
"Re",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.6267668,
0,
0
],
[
0,
0.54211545,
0
],
[
0,
0,
0.43015626
]
] | -31.52265 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00297776
],
[
0,
0,
-0.00297776
],
[
0,
0,
-0.00074511
],
[
0,
0,
0.00074511
]
] | -0.000002 | 2.090513 | pbe | true | 1f9640fedb8a7a83f6e7824d1cce0978_59_Be2Re2 |
[
"Bi",
"Hg"
] | 4 | A3B | Bi3Hg | Hg1 Bi3 | 2 | [
1,
1,
1
] | 3 | [
[
4.94713943,
0,
0
],
[
0,
4.94713943,
0
],
[
0,
0,
4.94713943
]
] | agm005275938 | [
[
0,
0,
0
],
[
0,
2.473569715,
2.473569715
],
[
2.473569715,
0,
2.473569715
],
[
2.473569715,
2.473569715,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}] | [
"Hg",
"Bi",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
1.2841867,
0,
0
],
[
0,
1.2841867,
0
],
[
0,
0,
1.2841867
]
] | -11.485159 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000006 | 2.688676 | pbe | true | 7b0a8d8f5ed42286f0a4f089c0b1fcb0_221_Hg1Bi3 |
[
"Ac",
"As",
"Sb"
] | 4 | A2BC | AcAsSb2 | Ac1 Sb2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.33835711,
0,
0
],
[
0,
4.33835711,
0
],
[
0,
0,
6.25975226
]
] | agm001143916 | [
[
0,
0,
4.8454270268492525
],
[
0,
0,
1.4143252331507474
],
[
2.169178555,
2.169178555,
3.12987613
],
[
2.169178555,
2.169178555,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Sb",
"Sb",
"Ac",
"As"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.1740309,
0,
0
],
[
0,
0.1740309,
0
],
[
0,
0,
0.14685404
]
] | -18.554929 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00087664
],
[
0,
0,
0.00087664
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.982548 | pbe | true | a2f1bef69028fc328b7be31fd6e919b1_123_Ac1Sb2As1 |
[
"Pd",
"Pt",
"Sm",
"Zn"
] | 6 | A2B2CD | Pd2PtSmZn2 | Sm1 Zn2 Pd2 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.72445434,
0,
0
],
[
0,
4.72445434,
0
],
[
0,
0,
5.52635425
]
] | agm004747946 | [
[
0,
0,
2.763177125
],
[
2.36222717,
0,
0
],
[
0,
2.36222717,
0
],
[
2.36222717,
2.36222717,
4.119709915756552
],
[
2.36222717,
2.36222717,
1.4066443342434474
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Sm",
"Zn",
"Zn",
"Pd",
"Pd",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] | [
[
5.2898264,
0,
0
],
[
0,
5.2898264,
0
],
[
0,
0,
5.043852
]
] | -26.07569 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0003357
],
[
0,
0,
0.0003357
],
[
0,
0,
0
]
] | 0.000001 | 2.253079 | pbe | true | 48679662f3be75d60e03eddf15a2e1d8_123_Sm1Zn2Pd2Pt1 |
[
"Ac",
"Au",
"Ca"
] | 4 | A2BC | AcAu2Ca | Ca1 Ac1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
5.36340056,
0,
0
],
[
2.68170028,
4.64484114,
0
],
[
2.68170028,
1.54828038,
4.37919822
]
] | agm003189616 | [
[
5.36340056,
3.09656076,
2.18959911
],
[
8.04510084,
4.64484114,
3.2843986650000003
],
[
2.68170028,
1.54828038,
1.094799555
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Ac",
"Au",
"Au",
"Ca"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.271975,
0,
0
],
[
0,
3.271975,
0
],
[
0,
0,
3.271975
]
] | -15.87413 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.668572 | pbe | true | fb291eb0d5fb3b3536f341adc42dea3b_225_Ca1Ac1Au2 |
[
"Br",
"Os"
] | 4 | A3B | Br3Os | Os1 Br3 | 2 | [
1,
1,
1
] | 3 | [
[
8.66887789,
-0.03022891,
-0.01800938
],
[
7.86476515,
3.64634429,
-0.01800938
],
[
7.86476515,
1.72012291,
3.21517156
]
] | agm003868821 | [
[
0,
0,
0
],
[
17.533833335139736,
3.8348695572606966,
2.2846873823920077
],
[
12.199204095,
2.668119145,
1.5895764
],
[
6.864574854860263,
1.501368732739303,
0.8944654176079919
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Os",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
2.6035597,
-0.02563961,
-0.01527522
],
[
-0.02563961,
2.7151818,
-0.00334088
],
[
-0.01527522,
-0.00334088,
2.718799
]
] | -14.67604 | [
0.373,
0.027,
0.395,
0.027
] | [
[
0,
0,
0
],
[
0.00937097,
0.00204955,
0.00122105
],
[
0,
0,
0
],
[
-0.00937097,
-0.00204955,
-0.00122105
]
] | 0.993171 | 4.407366 | pbe | true | b4b554cec6951a90767adbe2c94412ec_166_Os1Br3 |
[
"Br",
"Te"
] | 4 | AB | BrTe | Te2 Br2 | 2 | [
1,
1,
1
] | 3 | [
[
3.56194005,
0,
0
],
[
-1.78097003,
3.08473057,
0
],
[
0,
0,
9.9211899
]
] | agm003809020 | [
[
-2.1143033771000937e-8,
2.056487056949102,
2.480297475
],
[
1.7809700411430336,
1.028243513050898,
7.4408924249999995
],
[
0,
0,
0
],
[
0,
0,
4.96059495
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Te",
"Te",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.59654945,
0,
0
],
[
0,
0.59654945,
0
],
[
0,
0,
0.2467793
]
] | -8.460231 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 1.632376 | pbe | true | 0cd5fea22a4c776c2ba949e259623554_194_Te2Br2 |
[
"Ac",
"Ba",
"Pb"
] | 4 | A2BC | AcBa2Pb | Ba2 Ac1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.80959339,
0,
0
],
[
0,
5.39220209,
0
],
[
0,
0,
5.39220209
]
] | agm001198491 | [
[
2.904796695,
0,
0
],
[
2.904796695,
2.696101045,
2.696101045
],
[
0,
0,
2.696101045
],
[
0,
2.696101045,
0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Pb",
"Ac",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.9580401,
0,
0
],
[
0,
1.0495542,
0
],
[
0,
0,
1.0495542
]
] | -12.536777 | [
0,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002695 | 4.264111 | pbe | true | ce10cf17a47e28f7c8629b8d3559d51f_123_Ba2Ac1Pb1 |
[
"C",
"Se"
] | 4 | AB | CSe | C2 Se2 | 2 | [
1,
1,
1
] | 3 | [
[
3.19025725,
-0.00072541,
0.00179756
],
[
-1.5417179,
4.32042432,
0.0158707
],
[
-0.00079699,
-0.8645588,
6.74889815
]
] | agm002049623 | [
[
2.4056392676402347,
0.35874181912917913,
2.874780039901767
],
[
2.40654450028549,
0.13619787201818148,
1.5888994991952017
],
[
2.403721761779,
0.7069341498488735,
4.558524870096329
],
[
0.8119894185334778,
-0.008758364988476501,
0.4222712293550595
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"C",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.10497197,
0.00493031,
0.01271863
],
[
0.00493015,
0.22103581,
-0.0170688
],
[
0.01271841,
-0.01706907,
-0.12748162
]
] | -21.593129 | [
0,
0,
0,
0
] | [
[
-0.00133317,
-0.00128091,
-0.00314059
],
[
-0.00028294,
-0.00057727,
0.00272211
],
[
0.00115976,
0.00124139,
0.00144367
],
[
0.00045635,
0.00061679,
-0.00102519
]
] | 0.000019 | 1.536566 | pbe | true | b8aa863419fbe1b36ae49c09eb2e813b_1_C2Se2 |
[
"Cd",
"Ir"
] | 4 | A3B | CdIr3 | Cd1 Ir3 | 2 | [
1,
1,
1
] | 3 | [
[
2.79535459,
-0.00001701,
-0.00066902
],
[
-0.00003054,
4.90255005,
0.0000478
],
[
-1.39316454,
-2.45133211,
4.55416342
]
] | agm002204396 | [
[
1.4036716170298946,
2.4656237723470045,
4.477582284174471
],
[
1.3962303168117138,
2.4657079800290767,
0.07563800117930321
],
[
0.002254740878721606,
1.5902826434881896,
2.27692728894238
],
[
1.39986528124112,
-0.8021375367057706,
2.2765920595203863
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Ir",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
3.8823836,
-0.02890162,
-0.5909905
],
[
-0.02890159,
6.4982266,
-0.00516073
],
[
-0.5909907,
-0.00516066,
5.732959
]
] | -26.767523 | [
0,
0,
0,
0
] | [
[
-0.0017921,
-0.01486244,
-0.00869829
],
[
-0.00221095,
-0.01414755,
0.00949756
],
[
0.00351553,
0.04346165,
-0.00095392
],
[
0.00048752,
-0.01445166,
0.00015466
]
] | 0 | 2.68554 | pbe | true | 64faa9614f9a9ab0b1d639380767512e_44_Cd1Ir3 |
[
"Cl",
"Cu",
"Tc"
] | 4 | A2BC | Cl2CuTc | Tc1 Cu1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
8.69539312,
0.0157668,
0.00931861
],
[
8.10446647,
3.15083059,
0.00931861
],
[
8.10446647,
1.52760696,
2.75576436
]
] | agm004014053 | [
[
18.80446315607773,
3.544444147334409,
2.0948622406236614
],
[
12.371473760695382,
2.3318930937321305,
1.3782118121128475
],
[
0.6726606169721273,
0.1267894737105865,
0.0749360040514682
],
[
5.507891307211502,
1.0381797632808305,
0.6135922854680075
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Tc",
"Cu",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.0884567,
0.10821962,
0.06396072
],
[
0.10821962,
-1.6421998,
0.01205592
],
[
0.06396072,
0.01205592,
-1.6554726
]
] | -18.157772 | [
0.72,
0.048,
0.033,
0.018
] | [
[
-0.00990757,
-0.00186747,
-0.00110373
],
[
0.01475119,
0.00278044,
0.00164332
],
[
-0.00021007,
-0.0000396,
-0.0000234
],
[
-0.00463355,
-0.00087338,
-0.00051619
]
] | 0.892315 | 1.323058 | pbe | true | 1fded75af1cdd34da11e592031a9075f_160_Tc1Cu1Cl2 |
[
"Cd",
"Ir"
] | 4 | AB | CdIr | Cd1 Ir1 | 2 | [
1,
1,
1
] | 3 | [
[
4.440725442,
0,
0
],
[
-2.220362721,
3.845781044,
0
],
[
0,
0,
4.873591311
]
] | oqmd-5384287 | [
[
2.22036,
1.2819300000000002,
1.218399999999999
],
[
2.1267270465303877e-15,
2.5638499999999995,
3.6551900000000006
],
[
0,
0,
0
],
[
0,
0,
2.436799999999998
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Cd",
"Cd",
"Ir",
"Ir"
] | 2024-11-01 00:00:00 | [
0.5,
0.5
] | [
[
25.76513394,
0,
0
],
[
0,
25.76513394,
0
],
[
0,
0,
8.40932134
]
] | -17.8324 | [
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[
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0
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[
0,
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[
0,
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] | -0.006676 | null | pbe | true | 7a8db912b1105eb3b13373c75aed44fe_194_Cd2Ir2 |
[
"Ac",
"Bi",
"La"
] | 4 | A2BC | AcBiLa2 | Ac1 La2 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.27894986,
0,
0
],
[
0,
4.27894986,
0
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[
0,
0,
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] | agm001159733 | [
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[
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] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"Ac",
"Bi",
"La",
"La"
] | 2023-11-16 06:57:59 | [
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0.25,
0.5
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[
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[
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[
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] | -19.643399 | [
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[
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[
0,
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[
0,
0,
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] | 0.443323 | 6.823181 | pbe | true | 915cf125d4af636c7ce512744748b360_123_Ac1La2Bi1 |
[
"Pd",
"Rb",
"Se",
"Ta"
] | 20 | A12B4C3D | Pd4RbSe12Ta3 | Rb1 Ta3 Pd4 Se12 | 4 | [
1,
1,
1
] | 3 | [
[
9.03639785,
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[
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
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"Ta",
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"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.05,
0.6,
0.15
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[
1.3471742,
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[
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[
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[
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[
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0
]
] | 0.000011 | 13.831844 | pbe | true | e4d9b29c0b147dc4e081345e80f74848_155_Rb1Ta3Pd4Se12 |
[
"Ce",
"Sc"
] | 4 | A3B | CeSc3 | Ce1 Sc3 | 2 | [
1,
1,
1
] | 3 | [
[
4.67718663,
0,
0
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[
0,
4.67718663,
0
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[
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4.67718663
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] | agm001190694 | [
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[
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Sc",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
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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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] | 0.021538 | 8.812469 | pbe | true | 46411898fb789550838f7c8ad8b976e2_221_Ce1Sc3 |
[
"Ce",
"Se"
] | 2 | AB | CeSe | Ce1 Se1 | 2 | [
1,
1,
1
] | 3 | [
[
3.99902329,
0,
0
],
[
-1.99951165,
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0
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[
0,
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] | agm002354994 | [
[
1.9995116633284495,
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[
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}] | [
"Se",
"Ce"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
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[
0,
2.4634562,
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[
0,
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]
] | -12.673723 | [
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1.12
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[
0,
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0
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[
0,
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0
]
] | 1.552183 | 6.20426 | pbe | true | 32d617cdc86d0e64c3d36c699b2a4646_187_Ce1Se1 |
[
"Ge",
"V",
"Zr"
] | 11 | A6B4C | Ge4V6Zr | Zr1 V6 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
6.40097435,
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[
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Zr",
"V",
"V",
"V",
"V",
"V",
"V",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.5454545454545454,
0.09090909090909091
] | [
[
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[
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7.3972964,
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],
[
-0.00685605,
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]
] | -81.039769 | [
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[
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[
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[
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[
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[
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[
0.00265092,
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0.00162871
]
] | 0.000471 | 7.905889 | pbe | true | f86c6e23bbf2a101bcaf3fb24b641e5c_121_Zr1V6Ge4 |
[
"Ge",
"W",
"Y"
] | 4 | A2BC | GeW2Y | Y1 Ge1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.28384417,
3.28384417
],
[
3.28384417,
0,
3.28384417
],
[
3.28384417,
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0
]
] | agm002679978 | [
[
3.28384417,
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[
0,
0,
0
],
[
1.641922085,
1.641922085,
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Ge",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.2235135,
0,
0
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[
0,
1.2235135,
0
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[
0,
0,
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] | -33.79217 | [
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0
] | [
[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000218 | 9.335979 | pbe | true | a889a0278880b4a9ff8fc4a4a7ee375d_225_Y1Ge1W2 |
[
"Ce",
"Se"
] | 4 | A3B | Ce3Se | Ce3 Se1 | 2 | [
1,
1,
1
] | 3 | [
[
3.45054934,
0,
0
],
[
0,
5.06773558,
0
],
[
0,
0,
5.57029837
]
] | agm001830204 | [
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[
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[
1.72527467,
0,
2.5465692951980734
],
[
1.72527467,
2.53386779,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}] | [
"Se",
"Ce",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
4.0489817,
0,
0
],
[
0,
4.195136,
0
],
[
0,
0,
4.1369214
]
] | -23.77449 | [
-0.002,
0.053,
0.099,
0.081
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
-0.00599593
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[
0,
0,
-0.00072671
]
] | 0.270527 | 9.919813 | pbe | true | 413530cf6a6b8788c8ae76fba0da6b73_25_Ce3Se1 |
[
"Cl",
"W"
] | 4 | AB | ClW | W2 Cl2 | 2 | [
1,
1,
1
] | 3 | [
[
3.76218279,
0,
0
],
[
0,
3.76218279,
0
],
[
0,
0,
4.80971969
]
] | agm004192488 | [
[
0.9405456975,
2.8216370925,
0
],
[
2.8216370925,
0.9405456975,
0
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[
0.9405456975,
0.9405456975,
1.795248940864742
],
[
2.8216370925,
2.8216370925,
3.0144707491352576
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Cl",
"Cl",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.3471024,
0,
0
],
[
0,
1.3471024,
0
],
[
0,
0,
1.1212482
]
] | -25.408966 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
-0.01359885
],
[
0,
0,
0.01359885
]
] | 0 | 2.270038 | pbe | true | 2126bd206e49c69b49e2ae3b7fd144af_129_W2Cl2 |
[
"Cl",
"Cu",
"W"
] | 4 | A2BC | ClCu2W | Cu2 W1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.59312093,
0.02815607,
-2e-8
],
[
1.15476949,
4.44567881,
-2e-8
],
[
-2.87394228,
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2.79896736
]
] | agm003853364 | [
[
0,
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0
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[
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1.3994836599999998
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[
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2.23691744,
-2e-8
],
[
2.29656193,
0.014079175,
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]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cu",
"W",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-5.75855,
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],
[
-0.28628853,
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],
[
-0.00000561,
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]
] | -19.249764 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.741603 | pbe | true | fb95c4446bc358ce27a58013a70f400d_119_Cu2W1Cl1 |
[
"Cl",
"Zn"
] | 4 | A3B | ClZn3 | Zn3 Cl1 | 2 | [
1,
1,
1
] | 3 | [
[
4.82028462,
-0.00692318,
0
],
[
-1.97946866,
4.39509904,
0
],
[
0,
0,
3.68743972
]
] | agm004022467 | [
[
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[
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],
[
2.41014231,
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1.84371986
],
[
1.4204079799999998,
2.19408793,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Cl",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
3.3739214,
0.10228931,
0
],
[
0.10228931,
3.4657066,
0
],
[
0,
0,
2.8075762
]
] | -5.489336 | [
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
]
] | 0 | 1.647912 | pbe | true | b4bb3dcc02f72acae894f8e18b86f0ab_65_Zn3Cl1 |
[
"Co",
"Cu"
] | 4 | AB | CoCu | Co2 Cu2 | 2 | [
1,
1,
1
] | 3 | [
[
2.55001665,
0,
0
],
[
0,
2.48518305,
0.58414178
],
[
0,
0.87423134,
7.45437488
]
] | agm001416939 | [
[
0.6375041625,
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3.1034881730828174
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[
1.9125124875,
2.1199828423122202,
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Co",
"Co",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
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0,
0
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[
0,
-8.628682,
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],
[
0,
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]
] | -22.045968 | [
1.585,
1.585,
0.035,
0.035
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[
0,
0.00224926,
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[
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[
0,
0.00783038,
0.0085502
],
[
0,
-0.00783038,
-0.0085502
]
] | 3.170353 | 3.613724 | pbe | true | a32b79e1ad928324f53b609840b53855_129_Co2Cu2 |
[
"Bi",
"Cu",
"Si"
] | 4 | A2BC | Bi2CuSi | Si1 Cu1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.57562647,
3.57562647
],
[
3.57562647,
0,
3.57562647
],
[
3.57562647,
3.57562647,
0
]
] | agm002738250 | [
[
0,
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[
1.787813235,
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],
[
5.363439705,
5.363439705,
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[
3.57562647,
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]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Bi",
"Bi",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0,
0
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[
0,
0.9444983,
0
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[
0,
0,
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] | -15.35606 | [
0,
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
]
] | 0 | 1.908465 | pbe | true | eeb46a846619941026ddaf1f16764cbf_225_Si1Cu1Bi2 |
[
"Bi",
"Dy",
"Sc"
] | 4 | A2BC | BiDySc2 | Dy1 Sc2 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
3.38987684,
0,
0
],
[
1.69493842,
2.93571946,
0
],
[
1.69493842,
0.97857315,
11.37505805
]
] | agm001962298 | [
[
1.694936742010964,
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[
5.084816937989035,
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[
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[
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Bi",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0,
0
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[
0,
1.629015,
0
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[
0,
0,
1.5756162
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] | -20.555276 | [
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0.328
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[
0,
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[
0,
0,
0.00817278
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.743785 | 6.522445 | pbe | true | 46dd6cc3e4f21e4a9b95790b91ca2412_166_Dy1Sc2Bi1 |
[
"Pd",
"Rh",
"Si",
"U"
] | 5 | A2BCD | PdRhSi2U | U1 Si2 Pd1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
3.99624742,
0,
0
],
[
0,
3.99624742,
0
],
[
-1.99812372,
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]
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0,
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[
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[
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0,
2.593679535
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"U",
"Si",
"Si",
"Pd",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
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[
0,
5.9199038,
0
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[
0,
0,
5.9794526
]
] | -38.159863 | [
1.993,
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0.03,
0.024
] | [
[
0,
0,
0
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.238562 | 7.138381 | pbe | true | b596aca13b37a92740b235092262cc29_119_U1Si2Pd1Rh1 |
[
"Cl",
"Cu",
"Y"
] | 4 | A2BC | ClCu2Y | Y1 Cu2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.49714653,
0,
0
],
[
0,
3.52405232,
0.03477677
],
[
0,
-0.17089224,
6.92708085
]
] | agm003831243 | [
[
0,
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[
0,
3.0330565420761126,
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1.1402422662668596
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[
1.748573265,
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"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",
"Cu",
"Cu",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
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[
0,
0.05791829,
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]
] | -18.395994 | [
0,
0,
0,
0
] | [
[
0,
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0.00493907
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[
0,
0.01191233,
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[
0,
0.01144358,
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[
0,
-0.01136599,
-0.00143376
]
] | 0.000001 | 2.799054 | pbe | true | e36689bcd0b03a12739ee5e8a0466410_6_Y1Cu2Cl1 |
[
"Co",
"Ni"
] | 4 | A3B | Co3Ni | Co3 Ni1 | 2 | [
1,
1,
1
] | 3 | [
[
4.75177566,
0.00406551,
0.00143485
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[
2.11342397,
4.24209258,
0.00581543
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[
-2.76789043,
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2.15711076
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
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[
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[
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]
] | -27.123184 | [
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1.674,
1.665
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[
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[
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[
0.00023372,
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[
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0.00280296
]
] | 5.66985 | 3.805669 | pbe | true | 7a77d428c2a38a665fc52f4121427d87_8_Co3Ni1 |
[
"Pd",
"S",
"Ta",
"Tl"
] | 20 | A12B4C3D | Pd4S12Ta3Tl | Ta3 Tl1 Pd4 S12 | 4 | [
1,
1,
1
] | 3 | [
[
8.55271025,
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[
-2.63973682,
8.15699498,
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[
-2.63973682,
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]
] | agm004708703 | [
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[
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3.5346149648732226,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Ta",
"Ta",
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"Tl",
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.15,
0.05
] | [
[
2.0170355,
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[
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[
-0.03432853,
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] | -116.122805 | [
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0,
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0,
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0,
0,
0,
0,
0,
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] | [
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[
0.001354,
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[
-0.001354,
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0
]
] | 0.000112 | 11.56454 | pbe | true | b32d7063766430f56cf471b51071f57c_155_Ta3Tl1Pd4S12 |
[
"Pd",
"S",
"Ta",
"V"
] | 20 | A6B2CD | Pd2S6TaV | Ta2 V2 Pd4 S12 | 4 | [
1,
1,
1
] | 3 | [
[
5.90287248,
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[
1.37121226,
8.03987364,
0.67526501
],
[
1.37121226,
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8.0593764
]
] | agm004979880 | [
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5.716314409583652
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ta",
"Ta",
"V",
"V",
"Pd",
"Pd",
"Pd",
"Pd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
2.7307603,
-0.03373087,
-0.03500503
],
[
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2.6127276,
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],
[
-0.03500489,
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2.6105592
]
] | -123.160596 | [
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0,
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0.002,
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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[
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[
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[
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[
0.00161916,
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[
0.00161916,
-0.00184895,
0.00203347
],
[
-0.00161916,
-0.00210059,
0.00177231
]
] | 0.000362 | 13.136497 | pbe | true | 875a3525c1fb1d2d193dc0d5f41e4ec6_15_Ta2V2Pd4S12 |
[
"Co",
"Te"
] | 4 | A3B | CoTe3 | Co1 Te3 | 2 | [
1,
1,
1
] | 3 | [
[
8.75515269,
0.11886035,
0.07100889
],
[
7.93941874,
3.69221566,
0.07100889
],
[
7.93941874,
1.81242917,
3.21754552
]
] | agm003902950 | [
[
0,
0,
0
],
[
17.773333008231273,
4.057338236635886,
2.4239125241614228
],
[
12.316995085,
2.8117525899999998,
1.67978165
],
[
6.860657161768727,
1.5661669433641143,
0.935650775838577
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Co",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
0.15066011,
-0.09078299,
-0.05423507
],
[
-0.09078299,
0.5276145,
-0.01238091
],
[
-0.05423507,
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0.5409421
]
] | -16.51429 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
-0.00551989,
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],
[
0,
0,
0
],
[
0.00551989,
0.00126009,
0.0007528
]
] | 0.000001 | 3.329728 | pbe | true | d3e54a60b5aacd9a333818d7955acac6_166_Co1Te3 |
[
"Co",
"Tl"
] | 12 | A2B | Co2Tl | Tl4 Co8 | 2 | [
1,
1,
1
] | 3 | [
[
6.09807714,
0,
0
],
[
0,
6.09807714,
0
],
[
0,
0,
6.09807714
]
] | agm005509398 | [
[
0,
0,
0
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[
3.04903857,
3.04903857,
0
],
[
3.04903857,
0,
3.04903857
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[
0,
3.04903857,
3.04903857
],
[
3.6732736637247543,
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2.4248034762752453
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[
2.4248034762752453,
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[
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[
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[
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[
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],
[
5.473842046275245,
2.4248034762752453,
5.473842046275245
],
[
0.6242350937247546,
3.6732736637247543,
0.6242350937247546
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Tl",
"Tl",
"Tl",
"Tl",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
4.7634883,
0,
0
],
[
0,
4.7634883,
0
],
[
0,
0,
4.7634883
]
] | -52.827522 | [
-0.076,
-0.076,
-0.076,
-0.076,
1.564,
1.564,
1.564,
1.564,
1.564,
1.564,
1.564,
1.564
] | [
[
0,
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0
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[
0,
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[
0,
0,
0
],
[
0,
0,
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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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[
0.00006844,
0.00006844,
0.00006844
],
[
-0.00006844,
-0.00006844,
-0.00006844
]
] | 11.943741 | 20.265068 | pbe | true | ca6209d23e5fbd1d86c1fae0103d0492_205_Tl4Co8 |
[
"Pd",
"Sb",
"Sn",
"Sr"
] | 6 | A2B2CD | Pd2SbSn2Sr | Sr1 Sn2 Sb1 Pd2 | 4 | [
1,
1,
1
] | 3 | [
[
5.0920376,
0,
0
],
[
0,
5.0920376,
0
],
[
0,
0,
6.32714005
]
] | agm004749143 | [
[
0,
0,
3.163570025
],
[
2.5460188,
2.5460188,
4.711324451469674
],
[
2.5460188,
2.5460188,
1.6158155985303255
],
[
0,
0,
0
],
[
2.5460188,
0,
0
],
[
0,
2.5460188,
0
]
] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sn",
"Sn",
"Sb",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666
] | [
[
3.0801516,
0,
0
],
[
0,
3.0801516,
0
],
[
0,
0,
2.88908
]
] | -26.166029 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00080607
],
[
0,
0,
-0.00080607
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 2.820631 | pbe | true | 3f403c4b3035f45e34bd91884fc52684_123_Sr1Sn2Sb1Pd2 |
[
"Cl",
"Cu",
"Zr"
] | 4 | A2BC | Cl2CuZr | Zr1 Cu1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.40532743,
0,
0
],
[
0,
3.30316242,
0.006676
],
[
0,
-0.15266119,
5.3723531
]
] | agm003856402 | [
[
2.202663715,
0.7876253075,
1.3447572749999999
],
[
2.202663715,
2.3628759225000002,
4.034271825
],
[
0,
3.0442514072055133,
5.343730395111581
],
[
0,
1.6815004377944869,
2.724813254888419
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Zr",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.2267065,
0,
0
],
[
0,
-1.9404361,
-0.08890318
],
[
0,
-0.08890298,
-1.0621634
]
] | -17.797061 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00051375,
-0.00140793
],
[
0,
0.00051375,
0.00140793
]
] | 0.000016 | 2.713342 | pbe | true | afe5dd058c47a58c4eb672f6decdfec3_10_Zr1Cu1Cl2 |
[
"H",
"Hf",
"I"
] | 6 | ABC | HHfI | Hf2 H2 I2 | 3 | [
1,
1,
1
] | 3 | [
[
3.61821322,
-0.10891004,
0.14225783
],
[
1.72858296,
3.18046053,
0.14225783
],
[
2.64900884,
1.52176446,
10.57437068
]
] | agm002279975 | [
[
4.284731894659599,
2.461431090389453,
8.673082391201575
],
[
3.711073125340401,
2.1318838596105465,
2.185803948798424
],
[
5.9641618242845835,
3.4262058170380976,
6.281529839385459
],
[
2.031643195715417,
1.1671091329619026,
4.577356500614542
],
[
5.395387318647645,
3.0994644278264842,
4.343594054317037
],
[
2.6004177013523546,
1.4938505221735159,
6.515292285682963
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"I",
"H",
"H",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.1978574,
-0.5035724,
-0.5160652
],
[
-0.5035724,
4.7851653,
-0.2964617
],
[
-0.516065,
-0.29646158,
3.8289928
]
] | -32.59643 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00013833,
0.00007946,
-0.00589424
],
[
-0.00013833,
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0.00589424
],
[
0.00289465,
0.00166288,
-0.00126289
],
[
-0.00289465,
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0.00126289
],
[
0.01665375,
0.009567,
0.01631635
],
[
-0.01665375,
-0.009567,
-0.01631635
]
] | 0 | 0.0054 | pbe | true | bc0b4997e307aeae0e9ebd916bbd42c4_12_Hf2H2I2 |
[
"Bi",
"Dy",
"Sn"
] | 4 | A2BC | BiDy2Sn | Dy2 Sn1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.29704419,
0,
0
],
[
2.14852209,
3.72134943,
0
],
[
2.14852209,
1.24044981,
7.68755712
]
] | agm001941587 | [
[
4.297044185000001,
2.48089962,
3.84377856
],
[
0,
0,
0
],
[
6.445564128978307,
3.72134818955019,
5.76474525627003
],
[
2.1485242410216934,
1.24045105044981,
1.9228118637299714
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"Bi",
"Sn",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1033993,
0,
0
],
[
0,
1.1033993,
0
],
[
0,
0,
1.0557423
]
] | -19.830733 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00101653
],
[
0,
0,
0.00101653
]
] | -0.000001 | 1.234467 | pbe | true | f9da19c9c0d15b9a75406cce6e9ddece_166_Dy2Sn1Bi1 |
[
"Bi",
"Dy",
"Sn"
] | 4 | A2BC | BiDy2Sn | Dy2 Sn1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.35313056,
0,
0
],
[
0,
5.05108568,
0
],
[
0,
0,
5.05108568
]
] | agm001226046 | [
[
2.17656528,
2.52554284,
2.52554284
],
[
2.17656528,
0,
0
],
[
0,
0,
2.52554284
],
[
0,
2.52554284,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"Bi",
"Sn",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.0524313,
0,
0
],
[
0,
1.10695,
0
],
[
0,
0,
1.10695
]
] | -19.384655 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000888 | 4.281662 | pbe | true | 4c30c99df1e13b423f9483074609084d_123_Dy2Sn1Bi1 |
[
"Bi",
"Dy",
"Tb"
] | 4 | A2BC | BiDyTb2 | Tb2 Dy1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.16990646,
0,
0
],
[
0,
4.16990646,
0
],
[
0,
0,
6.92569783
]
] | agm001160064 | [
[
0,
0,
5.109630402414829
],
[
0,
0,
1.8160674275851714
],
[
2.08495323,
2.08495323,
3.462848915
],
[
2.08495323,
2.08495323,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}] | [
"Tb",
"Tb",
"Bi",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.778493,
0,
0
],
[
0,
2.778493,
0
],
[
0,
0,
2.6798842
]
] | -19.156863 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00867676
],
[
0,
0,
-0.00867676
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000042 | 4.864662 | pbe | true | cc23e36d6c6b427990705f2d3bdc3542_123_Tb2Dy1Bi1 |
[
"Cl",
"Eu",
"In"
] | 5 | A3BC | Cl3EuIn | Eu1 In1 Cl3 | 3 | [
1,
1,
1
] | 3 | [
[
5.59758438,
0,
0
],
[
0,
5.59758438,
0
],
[
0,
0,
5.59758438
]
] | agm001103399 | [
[
0,
0,
0
],
[
0,
2.79879219,
0
],
[
0,
0,
2.79879219
],
[
2.79879219,
0,
0
],
[
2.79879219,
2.79879219,
2.79879219
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Cl",
"Cl",
"Cl",
"In"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.74426687,
0,
0
],
[
0,
0.74426687,
0
],
[
0,
0,
0.74426687
]
] | -26.86617 | [
6.811,
-0.015,
-0.015,
-0.015,
0.012
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.966294 | 14.451657 | pbe | true | 60a770f66ffa74c76fa7f2dbeeee0c71_221_Eu1In1Cl3 |
[
"Pm",
"Pr",
"Sc",
"Sm"
] | 10 | A2BCD | PmPrScSm2 | Pm2 Pr2 Sm4 Sc2 | 4 | [
1,
1,
1
] | 3 | [
[
6.63995845,
-7.7e-7,
0.00000223
],
[
-4.2e-7,
7.74022676,
1.47602307
],
[
0.00000222,
-1.17742942,
6.18366865
]
] | agm004996629 | [
[
3.9304121209742173,
7.445868082534761,
3.0219397851904577
],
[
2.7095481290257832,
-0.8830715125347616,
4.637754164809543
],
[
1.3293414549617009,
2.987039819519456,
5.375759560495696
],
[
5.3106187950383,
3.575756750480544,
2.2839343895043047
],
[
4.804534068523014,
4.616396814058754,
5.684784637977759
],
[
4.804530992905712,
1.3576856895274019,
5.066747449930815
],
[
1.8354226171358379,
5.205110880473368,
2.592946500066956
],
[
1.8354195415185353,
1.9463997559420163,
1.9749093120200116
],
[
0,
0,
0
],
[
0.00000111,
-0.58871471,
3.091834325
]
] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Pm",
"Pm",
"Pr",
"Pr",
"Sm",
"Sm",
"Sm",
"Sm",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.98265314,
-2.5e-7,
6.9e-7
],
[
-2.5e-7,
1.1083341,
-0.01042198
],
[
6.9e-7,
-0.01042068,
1.0610628
]
] | -48.485843 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00306196,
0,
0
],
[
-0.00306196,
0,
0
],
[
0.00043741,
0,
0
],
[
-0.00043741,
0,
0
],
[
-0.00275606,
0.00413484,
0.00403474
],
[
-0.00275607,
-0.00413484,
-0.00403475
],
[
0.00275607,
0.00413484,
0.00403475
],
[
0.00275606,
-0.00413484,
-0.00403474
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000073 | 13.953845 | pbe | true | c5e8245ca568933b2d9fd4c70cfe00a2_51_Pm2Pr2Sm4Sc2 |
[
"Ac",
"Dy",
"Pr"
] | 4 | A2BC | AcDyPr2 | Ac1 Pr2 Dy1 | 3 | [
1,
1,
1
] | 3 | [
[
5.95683456,
0,
0
],
[
2.97841728,
5.15877006,
0
],
[
2.97841728,
1.71959002,
4.86373505
]
] | agm001096281 | [
[
2.97841728,
1.71959002,
1.2159337625
],
[
8.93525184,
5.15877006,
3.6478012875
],
[
5.95683456,
3.43918004,
2.431867525
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Pr",
"Pr",
"Ac",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.8519208,
0,
0
],
[
0,
0.8519208,
0
],
[
0,
0,
0.8519208
]
] | -17.631409 | [
0.173,
0.173,
0.102,
0.24
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.305944 | 9.910784 | pbe | true | 73674cb6c5e0c201807da7687b9ec497_225_Ac1Pr2Dy1 |
[
"Mo",
"Pb",
"Se"
] | 4 | A2BC | MoPbSe2 | Mo1 Pb1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
3.38730602,
-0.00854037,
0
],
[
-1.76318735,
2.89224573,
0
],
[
0,
0,
9.65139866
]
] | agm003973884 | [
[
0.812059335,
1.44185268,
2.412849665
],
[
0.812059335,
1.44185268,
7.238548995
],
[
0,
0,
0.5222837012341413
],
[
0,
0,
4.303415628765858
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Mo",
"Pb",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.7127542,
0.00714505,
0
],
[
0.00714505,
3.7214165,
0
],
[
0,
0,
3.5824158
]
] | -20.756724 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00222217
],
[
0,
0,
0.00222217
]
] | 0.000496 | 4.141839 | pbe | true | 96fe563ed959e217dce037f04777e841_65_Mo1Pb1Se2 |
[
"Cl",
"Eu",
"Ir"
] | 4 | A2BC | ClEu2Ir | Eu2 Ir1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.14764718,
0,
0
],
[
2.07382359,
3.59196782,
0
],
[
2.07382359,
1.19732261,
7.38453581
]
] | agm001959481 | [
[
6.221468675438174,
3.5919666133176276,
5.78975786892651
],
[
2.0738256845618257,
1.197323816682372,
1.5947779410734904
],
[
0,
0,
0
],
[
4.14764718,
2.3946452149999997,
3.692267905
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Eu",
"Ir",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.983802,
0,
0
],
[
0,
0.983802,
0
],
[
0,
0,
1.0388782
]
] | -35.368411 | [
6.795,
6.795,
-0.267,
-0.011
] | [
[
0,
0,
-0.00166908
],
[
0,
0,
0.00166908
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 13.859512 | 10.517858 | pbe | true | 39b92fbd11cfdc7cd8e19a5d044a3346_166_Eu2Ir1Cl1 |
[
"H",
"Hf",
"Pd"
] | 5 | A2B2C | H2HfPd2 | Hf1 H2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.60826349,
0,
0
],
[
0,
3.60826349,
0
],
[
1.80413175,
1.80413175,
4.32986904
]
] | agm002925308 | [
[
3.6082634925,
1.8041317475,
2.16493452
],
[
1.8041317475,
3.6082634925,
2.16493452
],
[
0,
0,
0
],
[
1.8041317646836539,
1.8041317646836539,
1.4222203496237018
],
[
3.6082634753163463,
3.6082634753163463,
2.907648690376299
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"H",
"H",
"Hf",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
11.777105,
0,
0
],
[
0,
11.777105,
0
],
[
0,
0,
6.3788576
]
] | -28.877024 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.0336492
],
[
0,
0,
-0.0336492
]
] | 0 | 0.519064 | pbe | true | cb22ebcd4b850c41c9a06d15a24711ad_139_Hf1H2Pd2 |
[
"H",
"Hf",
"Pt"
] | 8 | A2BC | H2HfPt | Hf2 H4 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.15964145,
0,
0
],
[
0,
4.15964145,
0
],
[
2.07982072,
2.07982072,
5.05964324
]
] | agm002838837 | [
[
3.3018155222572014,
1.03991036125,
1.26491081
],
[
0.8578259252427984,
3.11973108625,
1.26491081
],
[
3.1197310837499996,
2.937646647742798,
3.79473243
],
[
5.19955180875,
5.381636244757201,
3.79473243
],
[
2.079820725,
2.079820725,
0
],
[
2.0798207225,
4.1596414475,
2.52982162
],
[
0,
0,
0
],
[
4.1596414475,
2.0798207225,
2.52982162
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"H",
"H",
"H",
"H",
"Hf",
"Hf",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
11.4733515,
0,
0
],
[
0,
11.4733515,
0
],
[
0,
0,
14.398043
]
] | -47.59248 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00799755,
0,
0
],
[
0.00799755,
0,
0
],
[
0,
0.00799755,
0
],
[
0,
-0.00799755,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.375421 | pbe | true | 86773614e790c83069fa56cc6021ef1e_122_Hf2H4Pt2 |
[
"Cr",
"Zr"
] | 5 | A4B | CrZr4 | Zr4 Cr1 | 2 | [
1,
1,
1
] | 3 | [
[
-3.08364288,
3.08364288,
3.08364288
],
[
3.08364288,
-3.08364288,
3.08364288
],
[
3.08364288,
3.08364288,
-3.08364288
]
] | agm005408354 | [
[
-1.54182144,
1.54182144,
1.54182144
],
[
1.54182144,
1.54182144,
1.54182144
],
[
1.54182144,
-1.54182144,
1.54182144
],
[
1.54182144,
1.54182144,
-1.54182144
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}] | [
"Zr",
"Zr",
"Zr",
"Zr",
"Cr"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
2.8298697,
0,
0
],
[
0,
2.8298697,
0
],
[
0,
0,
2.8298697
]
] | -40.262053 | [
-0.113,
-0.113,
-0.113,
-0.113,
0.949
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.375492 | 7.384875 | pbe | true | dade667c74ce87c5d9a9103fee257660_229_Zr4Cr1 |
[
"Dy",
"Sc"
] | 4 | AB | DySc | Dy2 Sc2 | 2 | [
1,
1,
1
] | 3 | [
[
3.52873023,
0,
0
],
[
0,
5.63757036,
0.13370689
],
[
0,
-0.58827401,
5.60838754
]
] | agm003293585 | [
[
1.764365115,
4.3089055042435,
1.3020650023864735
],
[
1.764365115,
0.7403908457565002,
4.440029427613527
],
[
0,
1.4855324235677203,
1.6893576577165268
],
[
0,
3.5637639264322796,
4.052736772283473
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Dy",
"Dy",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.6535469,
0,
0
],
[
0,
1.5922157,
0.00117633
],
[
0,
0.00117633,
1.5925189
]
] | -21.673448 | [
-0.001,
-0.001,
-0.001,
-0.001
] | [
[
0,
-0.00005138,
0.00004518
],
[
0,
0.00005138,
-0.00004518
],
[
0,
0.00051456,
0.00058516
],
[
0,
-0.00051456,
-0.00058516
]
] | -0.005302 | 8.355991 | pbe | true | 80aff5504457c9933cd727f076e0c16f_65_Dy2Sc2 |
[
"Dy",
"Se"
] | 3 | A2B | DySe2 | Dy1 Se2 | 2 | [
1,
1,
1
] | 3 | [
[
4.19218692,
0,
0
],
[
-2.09609346,
3.63054037,
0
],
[
0,
0,
5.84416618
]
] | agm002185097 | [
[
-2.0960934671538395e-8,
2.420360258768468,
1.5001629193838761
],
[
2.096093480960935,
1.210180111231532,
4.344003260616124
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"Se",
"Se",
"Dy"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
0.51623654,
0,
0
],
[
0,
0.51623654,
0
],
[
0,
0,
1.231065
]
] | -15.398933 | [
0,
0,
0
] | [
[
0,
0,
-0.00812546
],
[
0,
0,
0.00812546
],
[
0,
0,
0
]
] | 0 | 3.091705 | pbe | true | d5eb486260a6aa45ea278ef59c889467_164_Dy1Se2 |
[
"Dy",
"Ti"
] | 4 | A3B | Dy3Ti | Dy3 Ti1 | 2 | [
1,
1,
1
] | 3 | [
[
3.30165115,
0,
0
],
[
0,
3.27716557,
0
],
[
0,
0,
10.52938846
]
] | agm001827719 | [
[
0,
0,
10.235502909280708
],
[
0,
1.638582785,
4.947807440777608
],
[
1.650825575,
1.638582785,
1.7912757800734282
],
[
1.650825575,
0,
7.593983433405434
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
"Dy",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
0.74495715,
0,
0
],
[
0,
0.74856824,
0
],
[
0,
0,
0.5204783
]
] | -20.306891 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00588799
],
[
0,
0,
0.00418457
],
[
0,
0,
-0.00033463
],
[
0,
0,
0.00203804
]
] | -0.000324 | 5.883856 | pbe | true | 690b60bfa67e432f60254c136ec3e58f_25_Dy3Ti1 |
[
"Cl",
"Eu",
"Sb"
] | 4 | A2BC | ClEu2Sb | Eu2 Sb1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.78090442,
0,
0
],
[
0,
5.5636515,
0
],
[
0,
0,
5.5636515
]
] | agm001202128 | [
[
0,
0,
2.78182575
],
[
0,
2.78182575,
0
],
[
1.89045221,
2.78182575,
2.78182575
],
[
1.89045221,
0,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Eu",
"Sb",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.6097517,
0,
0
],
[
0,
0.5298969,
0
],
[
0,
0,
0.5298969
]
] | -31.78609 | [
6.95,
6.95,
-0.092,
-0.024
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 14.238548 | 12.228767 | pbe | true | e794fe417c7f14b95dc00ccc1a2dd256_123_Eu2Sb1Cl1 |
[
"Er",
"Hg"
] | 4 | A3B | Er3Hg | Er3 Hg1 | 2 | [
1,
1,
1
] | 3 | [
[
4.76546251,
0,
0
],
[
0,
4.76546251,
0
],
[
0,
0,
4.76546251
]
] | agm003185789 | [
[
0,
0,
0
],
[
0,
2.382731255,
2.382731255
],
[
2.382731255,
0,
2.382731255
],
[
2.382731255,
2.382731255,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}] | [
"Hg",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
1.1958683,
0,
0
],
[
0,
1.1958683,
0
],
[
0,
0,
1.1958683
]
] | -14.60206 | [
0.001,
0.04,
0.04,
0.04
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.13833 | 5.109464 | pbe | true | 81135a6a9f4092b0036a58c92017f209_221_Er3Hg1 |
[
"Pm",
"Pt",
"Si",
"Sn"
] | 11 | A4B3C2D2 | Pm3Pt4Si2Sn2 | Pm3 Si2 Sn2 Pt4 | 4 | [
1,
1,
1
] | 3 | [
[
4.48713077,
0,
0
],
[
-2.24356538,
3.88596923,
0
],
[
0,
0,
13.66571297
]
] | agm004487872 | [
[
0,
0,
10.055936754115253
],
[
0,
0,
0
],
[
0,
0,
3.609776215884748
],
[
2.2435654091023207,
1.2953230637134359,
11.590505443655001
],
[
-1.9102320732707617e-8,
2.590646166286564,
2.0752075263449985
],
[
2.2435654091023207,
1.2953230637134359,
5.946574733101302
],
[
-1.9102320732707617e-8,
2.590646166286564,
7.719138236898698
],
[
2.2435654091023207,
1.2953230637134359,
1.77646984784987
],
[
-1.9102320732707617e-8,
2.590646166286564,
11.88924312215013
],
[
2.2435654091023207,
1.2953230637134359,
8.710839348504921
],
[
-1.9102320732707617e-8,
2.590646166286564,
4.9548736214950795
]
] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pm",
"Pm",
"Pm",
"Si",
"Si",
"Sn",
"Sn",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2727272727272727,
0.36363636363636365,
0.18181818181818182,
0.18181818181818182
] | [
[
3.7457387,
0,
0
],
[
0,
3.7457387,
0
],
[
0,
0,
3.897955
]
] | -68.032285 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00570304
],
[
0,
0,
0
],
[
0,
0,
-0.00570304
],
[
0,
0,
0.00487031
],
[
0,
0,
-0.00487031
],
[
0,
0,
-0.00332611
],
[
0,
0,
0.00332611
],
[
0,
0,
-0.00053381
],
[
0,
0,
0.00053381
],
[
0,
0,
-0.00202112
],
[
0,
0,
0.00202112
]
] | 0 | 3.005197 | pbe | true | 6a7fa3229d3902d042e17fc26b032018_164_Pm3Si2Sn2Pt4 |
[
"H",
"Hf",
"Se"
] | 4 | A2BC | H2HfSe | H2 Hf1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
1.730684261,
0.999211024,
4.568150982
],
[
-1.730684261,
0.999211024,
4.568150982
],
[
0,
-1.998422048,
4.568150982
]
] | oqmd-5989616 | [
[
-1.0509570669383016e-17,
6.909604932142624e-17,
7.646909999999999
],
[
7.780902387338924e-17,
-4.1755377894349545e-17,
11.75119
],
[
-1.7145013945626352e-17,
1.5435460693939246e-18,
2.31745
],
[
8.870566258080234e-19,
-3.496319673935173e-17,
5.088019999999999
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"H",
"H",
"Hf",
"Se"
] | 2024-11-01 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
20.50963486,
0,
0
],
[
0,
20.50963486,
0
],
[
0,
0,
21.18030833
]
] | -23.2489 | [
0,
0,
0,
0
] | [
[
0,
0,
0.01854
],
[
0,
0,
0.011658
],
[
0,
0,
0.029516
],
[
0,
0,
-0.059714
]
] | -0.00014 | null | pbe | true | f79094d935abe7313c5398228e7607c9_160_Hf1H2Se1 |
[
"Er",
"Pt"
] | 4 | AB | ErPt | Er2 Pt2 | 2 | [
1,
1,
1
] | 3 | [
[
3.75054974,
0,
0
],
[
0,
4.4219399,
0
],
[
-1.87527487,
0,
5.25104644
]
] | agm002147410 | [
[
1.8752748700000001,
1.105484975,
0.9258986401026599
],
[
1.0131954377328611e-16,
3.316454925,
4.32514779989734
],
[
1.8752748887527488,
1.105484975,
3.794948748172645
],
[
-1.8752748789273253e-8,
3.316454925,
1.4560976918273547
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Pt",
"Pt",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
3.3695426,
0,
0
],
[
0,
2.358494,
0
],
[
0,
0,
4.1777267
]
] | -26.463986 | [
0,
0,
-0.002,
0.002
] | [
[
0,
0,
-0.00202593
],
[
0,
0,
0.00202593
],
[
0,
0,
-0.01980758
],
[
0,
0,
0.01980758
]
] | 0.000001 | 3.056249 | pbe | true | b04a42680cfc738bf00a8c1877672a63_63_Er2Pt2 |
[
"Er",
"Pu"
] | 3 | A2B | ErPu2 | Er1 Pu2 | 2 | [
1,
1,
1
] | 3 | [
[
3.31152704,
0,
0
],
[
0,
3.31152704,
0
],
[
-1.65576352,
-1.65576352,
5.92264355
]
] | agm001851962 | [
[
0,
0,
0
],
[
1.6557618807941152,
1.655765192321155,
2.5648298695073306
],
[
0.0000016392058847339639,
-0.0000016723211552946085,
3.35781368049267
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Er",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
4.632397,
0,
0
],
[
0,
4.632397,
0
],
[
0,
0,
5.3119698
]
] | -32.349367 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.02005428
],
[
0,
0,
-0.02005428
]
] | -0.000788 | 8.417572 | pbe | true | f6fa0f7c4572e8deec75d6b9ca08e89e_139_Er1Pu2 |
[
"Er",
"Sb"
] | 2 | AB | ErSb | Er1 Sb1 | 2 | [
1,
1,
1
] | 3 | [
[
0,
3.073248,
3.073248
],
[
3.073248,
0,
3.073248
],
[
3.073248,
3.073248,
0
]
] | oqmd-3703366 | [
[
0,
0,
0
],
[
3.073249999999999,
3.073249999999999,
3.073249999999999
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Er",
"Sb"
] | 2024-11-01 00:00:00 | [
0.5,
0.5
] | [
[
4.11714,
0,
0
],
[
0,
4.11714,
0
],
[
0,
0,
4.11714
]
] | -10.8734 | [
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000086 | null | pbe | true | aa780b70cda99598411d8488dcfeb442_225_Er1Sb1 |
[
"Er",
"Sb"
] | 2 | AB | ErSb | Er1 Sb1 | 2 | [
1,
1,
1
] | 3 | [
[
0,
3.07917962,
3.07917962
],
[
3.07917962,
0,
3.07917962
],
[
3.07917962,
3.07917962,
0
]
] | mp-2191 | [
[
0,
0,
0
],
[
3.07917962,
3.07917962,
3.07917962
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Er",
"Sb"
] | 2023-02-17 09:27:29 | [
0.5,
0.5
] | [
[
0.00430563,
0,
0
],
[
0,
0.00430563,
0
],
[
0,
0,
0.00430563
]
] | -10.874047 | [
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.095788 | pbe | true | aa780b70cda99598411d8488dcfeb442_225_Er1Sb1 |
[
"F",
"Hg"
] | 4 | AB | FHg | Hg2 F2 | 2 | [
1,
1,
1
] | 3 | [
[
3.63252997,
-0.00006349,
0
],
[
-1.81631961,
3.1462727,
0
],
[
0,
0,
19.44559072
]
] | agm2000111042 | [
[
-1.8149881742500495,
3.14496506752602,
10.779888006660723
],
[
-0.0013678705794491286,
2.098801612961767,
8.665702713339277
],
[
3.630649704832606,
0.0017410379003895999,
7.500000025462415
],
[
0.0018801741645941615,
2.0956684665250105,
11.945590694537584
]
] | [{"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"]}] | [
"Hg",
"Hg",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.47160965,
0.01450955,
0.02023698
],
[
0.01450951,
0.46962222,
-0.02506778
],
[
0.02023681,
-0.02506778,
-0.8943206
]
] | -8.258624 | [
0,
0,
0,
0
] | [
[
0.00051166,
0.00004958,
0.00362873
],
[
-0.00051166,
-0.00004958,
-0.00362873
],
[
-0.00037137,
0.00078551,
0.0020093
],
[
0.00037137,
-0.00078551,
-0.0020093
]
] | 0 | 0.590856 | pbe | true | 0ec55a2355c24464dc3e0fbe401c855e_164_Hg2F2 |
[
"F",
"Ni"
] | 12 | A2B | F2Ni | Ni4 F8 | 2 | [
1,
1,
1
] | 3 | [
[
5.00981432,
0,
0
],
[
0,
5.00981432,
0
],
[
0,
0,
5.00981432
]
] | agm002147493 | [
[
0,
2.50490716,
2.50490716
],
[
2.50490716,
2.50490716,
0
],
[
2.50490716,
0,
2.50490716
],
[
0,
0,
0
],
[
1.7181832531447472,
0.7867239068552528,
4.223090413144748
],
[
0.7867239068552528,
4.223090413144748,
1.7181832531447472
],
[
4.223090413144748,
1.7181832531447472,
0.7867239068552528
],
[
3.291631066855253,
3.291631066855253,
3.291631066855253
],
[
1.7181832531447472,
1.7181832531447472,
1.7181832531447472
],
[
0.7867239068552528,
3.291631066855253,
4.223090413144748
],
[
4.223090413144748,
0.7867239068552528,
3.291631066855253
],
[
3.291631066855253,
4.223090413144748,
0.7867239068552528
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"Ni",
"Ni",
"Ni",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
4.0601597,
0,
0
],
[
0,
4.0601597,
0
],
[
0,
0,
4.0601597
]
] | -50.689067 | [
1.842,
1.842,
1.842,
1.842,
0.07,
0.07,
0.07,
0.07,
0.07,
0.07,
0.07,
0.07
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00285448,
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0.00285448
],
[
-0.00285448,
0.00285448,
0.00285448
],
[
0.00285448,
0.00285448,
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],
[
-0.00285448,
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],
[
0.00285448,
0.00285448,
0.00285448
],
[
-0.00285448,
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0.00285448
],
[
0.00285448,
-0.00285448,
-0.00285448
],
[
-0.00285448,
0.00285448,
-0.00285448
]
] | 7.999984 | 0 | pbe | true | ca06d77ec1083aa59d224153ebfd17b0_205_Ni4F8 |
[
"F",
"Zn"
] | 4 | A3B | F3Zn | Zn1 F3 | 2 | [
1,
1,
1
] | 3 | [
[
0,
2.70265903,
2.70265903
],
[
2.70265903,
0,
2.70265903
],
[
2.70265903,
2.70265903,
0
]
] | agm002672009 | [
[
2.70265903,
2.70265903,
2.70265903
],
[
1.351329515,
1.351329515,
1.351329515
],
[
4.053988545,
4.053988545,
4.053988545
],
[
0,
0,
0
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
3.0881314,
0,
0
],
[
0,
3.0881314,
0
],
[
0,
0,
3.0881314
]
] | -11.525078 | [
-0.003,
-0.197,
-0.197,
-0.538
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
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],
[
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] | -1.000001 | 7.208096 | pbe | true | 569ccac22b2fca90c959a670f0d59589_225_Zn1F3 |
[
"Fe",
"Hg"
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1,
1,
1
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[
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0
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[
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[
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1,
1,
1
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[
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[
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] | -0.000001 | 3.684002 | pbe | true | 196880a0cbe2e980ac766fbe5c738481_119_Pm1Ti1Zn1Rh2 |
[
"Fe",
"Ir"
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1,
1,
1
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[
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0,
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[
0,
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[
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] | 2.409458 | 4.558796 | pbe | true | ed9cbe2d31e37d9ae8a55cc42400d65a_47_Fe1Ir3 |
[
"Fe",
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1,
1,
1
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[
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0
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[
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] | 4.378995 | 4.593123 | pbe | true | f36d113362d9b968114b4763bbe08a08_123_Fe1Ni3 |
[
"Fe",
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1,
1,
1
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[
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[
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] | 4.416252 | 3.08347 | pbe | true | 7b09086c2382feb15143aa464003c2fe_74_Fe2Se2 |
[
"Fe",
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1,
1,
1
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[
0,
3.149369,
3.149369
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[
3.149369,
0,
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[
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] | 2.35 | null | pbe | true | 4aadaa3b27ad62aa6f99f958b033e3a9_225_Sr1Fe1 |
[
"Ge",
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1,
1,
1
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[
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0
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[
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] | 2023-11-16 06:57:59 | [
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] | 1.024836 | 4.037597 | pbe | true | 3903418457553c342909eeab5e182258_139_Rb3Ge1 |
[
"Ge",
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1,
1,
1
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[
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0,
0
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[
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] | 1.549222 | 3.010571 | pbe | true | da842cd4402cfcae42d743dce9e0cfae_225_Ti3Ge1 |
[
"H",
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1,
1
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0
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[
0,
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] | 0.661178 | 2.204308 | pbe | true | a5385348b47fb498709c4cedaf51ad56_221_H4Ir1 |
[
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1,
1,
1
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
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] | 0 | 4.925612 | pbe | true | 13f0f4df4e93bb5652876eb5729f04d7_217_H8Pb8 |
[
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1,
1,
1
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[
0,
0,
0.16644377
]
] | -9.185239 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.790308 | pbe | true | 337c4c028d1c4a512c9e865f3e6a3167_221_Mg1Hg1H3 |
[
"H",
"Pt"
] | 4 | A3B | H3Pt | H3 Pt1 | 2 | [
1,
1,
1
] | 3 | [
[
2.62578998,
0.55489204,
0
],
[
-0.71488682,
3.35160792,
0
],
[
0,
0,
17.28618259
]
] | agm2000126944 | [
[
1.1718241318371743,
2.828061563779305,
7.4999994286416
],
[
1.1718230934813454,
2.828061414403568,
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[
0.2160277934069554,
0.8749904657528861,
8.643092850756434
],
[
-0.14115208482037545,
2.550830781504242,
8.643090776414523
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"H",
"H",
"H",
"Pt"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
3.7025604,
0.20326611,
0
],
[
0.20326614,
3.4442682,
0
],
[
0,
0,
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]
] | -16.012263 | [
0,
0,
0,
0
] | [
[
-0.00007864,
0.00034967,
0.01995856
],
[
-0.00007864,
0.00034967,
-0.01995856
],
[
0.000355,
-0.00018608,
0
],
[
-0.00019771,
-0.00051326,
0
]
] | -0 | 0.557116 | pbe | true | 0f9a21f21100a406647eae0ca1499ed6_47_H3Pt1 |
[
"Ac",
"Gd",
"Lu"
] | 4 | A2BC | AcGd2Lu | Ac1 Gd2 Lu1 | 3 | [
1,
1,
1
] | 3 | [
[
5.18039489,
0,
0
],
[
0,
5.16142972,
0
],
[
0,
0,
5.16142972
]
] | agm001207282 | [
[
2.590197445,
0,
0
],
[
0,
0,
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],
[
0,
2.58071486,
0
],
[
2.590197445,
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2.58071486
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Ac",
"Gd",
"Gd",
"Lu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1699811,
0,
0
],
[
0,
1.3201392,
0
],
[
0,
0,
1.3201392
]
] | -36.589708 | [
-0.001,
7.193,
7.193,
0.059
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 15.076101 | 6.215403 | pbe | true | 50fafa641cd444f633d596570e76ba8c_123_Ac1Gd2Lu1 |
[
"Hg",
"Mg"
] | 4 | A3B | Hg3Mg | Mg1 Hg3 | 2 | [
1,
1,
1
] | 3 | [
[
5.16290682,
0.03001003,
-0.04951247
],
[
3.9599392,
3.31291245,
-0.04951247
],
[
-10.36603901,
-3.79847087,
5.70514761
]
] | agm003164415 | [
[
-2.5915097525,
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1.4262869025
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[
0.047585341619940005,
0.01743689496644939,
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[
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2.664613420978473
],
[
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4.2788607075
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
5.67158,
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0.09888796
],
[
0.01855392,
5.6277447,
0.03623593
],
[
0.09888791,
0.03623591,
5.9835873
]
] | -2.807847 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0.00232172,
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0.00201381
],
[
-0.00232172,
-0.00085076,
-0.00201381
],
[
0,
0,
0
]
] | 0 | 1.048808 | pbe | true | 9b37e93513a672b013a3450e84ebc4ab_12_Mg1Hg3 |
[
"Ac",
"H",
"Sm"
] | 3 | ABC | AcHSm | Ac1 Sm1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
3.5827716,
0,
0
],
[
0,
3.5827716,
0
],
[
-1.7913858,
-1.7913858,
6.51852242
]
] | agm001834667 | [
[
-1.791385805878633e-8,
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[
1.791385798463409e-8,
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0.4221221074643386
],
[
1.7913857999999998,
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3.174660175660685
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"H",
"Ac",
"Sm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.2233624,
0,
0
],
[
0,
2.2233624,
0
],
[
0,
0,
2.2198818
]
] | -12.309178 | [
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.0062543
],
[
0,
0,
-0.00296528
]
] | 0.000172 | 3.569042 | pbe | true | 5c3a41cf5f3213faabc1a1ea7d8a880c_107_Ac1Sm1H1 |
[
"Hg",
"Mg"
] | 6 | A5B | Hg5Mg | Hg5 Mg1 | 2 | [
1,
1,
1
] | 3 | [
[
-4.8575273,
2.8044927,
-1e-8
],
[
-3e-8,
-5.60898951,
2e-8
],
[
-1.61917576,
2.8044927,
5.58068246
]
] | mp-981382 | [
[
-4.857527311666661,
0.9348307146618,
2.79034681234913
],
[
-6.433390057282885,
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[
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[
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2.8699649123643334
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2015-10-11 20:10:22 | [
0.8333333333333334,
0.16666666666666666
] | [] | -3.252468 | [
0,
0,
0,
0,
0,
0
] | [] | 0 | 2.523604 | pbe | true | e76556e728bfad2973c678275a89376f_155_Mg1Hg5 |
[
"Mo",
"Pm",
"Th"
] | 6 | A4BC | Mo4PmTh | Pm1 Th1 Mo4 | 3 | [
1,
1,
1
] | 3 | [
[
5.59243639,
0,
0
],
[
2.79621819,
4.84319198,
0
],
[
2.79621819,
1.61439733,
4.56620519
]
] | agm001180197 | [
[
5.592439154508271,
3.2287930232064443,
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[
5.592439154508271,
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[
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[
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[
0,
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}] | [
"Mo",
"Mo",
"Mo",
"Mo",
"Th",
"Pm"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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0
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[
0,
4.8590865,
0
],
[
0,
0,
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]
] | -54.608453 | [
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0,
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[
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[
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[
0.00301927,
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],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.314 | pbe | true | 32863190d3bd39a95cfa3caa8fc7df29_216_Pm1Th1Mo4 |
[
"Pm",
"Sm",
"Tb",
"Tm"
] | 20 | A6B2CD | PmSm6TbTm2 | Tb2 Pm2 Sm12 Tm4 | 4 | [
1,
1,
1
] | 3 | [
[
9.20510027,
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[
0.77106507,
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[
0.77106507,
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8.52187275
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] | agm004983119 | [
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3.0723401375,
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[
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1.002041652526036
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[
9.940246114743195,
2.3187722241127924,
3.480654481161494
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Tb",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
1.1458441,
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[
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[
0.0212134,
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]
] | -90.892162 | [
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0,
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0,
0,
0,
0,
0,
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0
] | [
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[
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[
0.00266689,
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[
0.00266689,
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0.00476413
],
[
-0.00266689,
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0.00040213
]
] | -0.000023 | 29.773989 | pbe | true | 06ed7da83fc7ab99a703a0c63ee6b23a_15_Tb2Pm2Sm12Tm4 |
[
"H",
"Ho",
"Ni"
] | 12 | A4BC | H4HoNi | H4 Ho1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
3.593845812,
0,
0
],
[
0,
4.667319246,
0
],
[
-1.787564761,
0,
5.667764925
]
] | oqmd-5647364 | [
[
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[
0.900430000000001,
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0.6262499999999995
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0.8927800000000005,
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],
[
0.9135000000000004,
3.500489999999998,
3.9326500000000015
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Ho",
"Ho",
"Ni",
"Ni"
] | 2024-11-01 00:00:00 | [
0.6666666666666666,
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0.16666666666666666
] | [
[
26.37778441,
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],
[
0,
26.40139119,
0
],
[
-0.41683761,
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24.61102407
]
] | -53.0421 | [
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0,
0,
0,
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0
] | [
[
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[
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[
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[
0.023956,
0,
0.012742
],
[
-0.023956,
0,
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]
] | 0.006125 | null | pbe | true | 87bd5f1aef4936b7a4175ee42b3827c4_11_Ho2Ni2H8 |
[
"Mo",
"Pr",
"Pu"
] | 3 | ABC | MoPrPu | Mo1 Pr1 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.403785,
3.403785
],
[
3.403785,
0,
3.403785
],
[
3.403785,
3.403785,
0
]
] | oqmd-3774975 | [
[
0,
0,
0
],
[
1.7019000000000015,
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1.7019000000000015
],
[
5.105679999999999,
5.105679999999999,
5.105679999999999
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Mo",
"Pr",
"Pu"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
29.02978,
0,
0
],
[
0,
29.02978,
0
],
[
0,
0,
29.02978
]
] | -27.7392 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.83731 | null | pbe | true | 20cddec1c9e3cc3cc7896ad31193ebef_216_Pr1Pu1Mo1 |
[
"Mo",
"Re",
"Sc"
] | 4 | A2BC | Mo2ReSc | Sc1 Re1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
4.64663271,
0,
0
],
[
0,
3.78648151,
0
],
[
0,
0,
3.78648151
]
] | agm004109086 | [
[
0,
0,
0
],
[
0,
1.893240755,
1.893240755
],
[
2.323316355,
1.893240755,
0
],
[
2.323316355,
0,
1.893240755
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Mo",
"Mo",
"Re",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
10.011328,
0,
0
],
[
0,
11.519591,
0
],
[
0,
0,
11.519591
]
] | -39.376187 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003 | 2.307702 | pbe | true | b477b7d18c842299456ec224479dd29b_123_Sc1Re1Mo2 |
[
"Hg",
"Se"
] | 4 | AB | HgSe | Hg2 Se2 | 2 | [
1,
1,
1
] | 3 | [
[
4.63879014,
0,
0
],
[
0,
4.63879014,
0
],
[
0,
0,
5.1788109
]
] | agm003836802 | [
[
1.159697535,
3.479092605,
0
],
[
3.479092605,
1.159697535,
0
],
[
1.159697535,
1.159697535,
1.573250403431727
],
[
3.479092605,
3.479092605,
3.605560496568273
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Hg",
"Hg",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
2.2916155,
0,
0
],
[
0,
2.2916155,
0
],
[
0,
0,
2.6779795
]
] | -7.570963 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00592525
],
[
0,
0,
0.00592525
]
] | 0 | 0.563787 | pbe | true | 168c3ac73f81b6f9e77949a11d8647d5_129_Hg2Se2 |
[
"Ac",
"Hf",
"In"
] | 3 | ABC | AcHfIn | Ac1 Hf1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.686237806,
3.686237806
],
[
3.686237806,
0,
3.686237806
],
[
3.686237806,
3.686237806,
0
]
] | oqmd-6931008 | [
[
3.68624,
3.68624,
3.68624
],
[
0,
0,
0
],
[
1.84312,
1.84312,
1.84312
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Ac",
"Hf",
"In"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.79552908,
0,
0
],
[
0,
4.79552908,
0
],
[
0,
0,
4.79552908
]
] | -15.6021 | [
0.002,
0.01,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.023319 | null | pbe | true | b48e23bfb63fe226d4c3400fc29e1144_216_Ac1Hf1In1 |
[
"Cl",
"Cr",
"Zr"
] | 4 | A2BC | ClCrZr2 | Zr2 Cr1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
7.75010915,
0.09988698,
-0.0071369
],
[
6.2984227,
4.51708321,
0.00713689
],
[
-6.97106642,
-2.47036003,
2.31857157
]
] | agm003932981 | [
[
3.90595081232454,
2.4175604055847075,
1.1628542269802733
],
[
6.095618455989648,
1.8239317293604662,
2.3185715606988966
],
[
3.4334364288840895,
-0.18487113017443413,
1.155717332833286
],
[
7.744190947316404,
2.545084364059558,
-5.512455700178423e-9
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Cr",
"Zr",
"Zr",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.4007306,
-0.07774535,
0.0150139
],
[
-0.07774535,
2.611744,
-0.04568359
],
[
0.0150139,
-0.04568359,
2.629931
]
] | -29.022304 | [
0.001,
0,
0,
0
] | [
[
-0.00713497,
-0.00234487,
0
],
[
-0.00347422,
-0.00114178,
0
],
[
0.00869629,
0.00285798,
0
],
[
0.0019129,
0.00062866,
0
]
] | 0.000878 | 3.777871 | pbe | true | ee70def242ed523bbc4a249804cbc453_44_Zr2Cr1Cl1 |
[
"Ac",
"Li",
"Tm"
] | 3 | ABC | AcLiTm | Li1 Ac1 Tm1 | 3 | [
1,
1,
1
] | 3 | [
[
3.89001615,
0,
0
],
[
0,
3.89001615,
0
],
[
-1.94500808,
-1.94500808,
6.19547952
]
] | agm001838465 | [
[
1.621087956249402e-8,
1.621087956249402e-8,
4.0136807532875
],
[
-2.3067819175262863e-10,
-2.3067819175262863e-10,
0.2858324127620928
],
[
1.9450080734698791,
1.9450080734698791,
1.8959662919956128
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"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"]}] | [
"Ac",
"Tm",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.12754692,
0,
0
],
[
0,
0.12754692,
0
],
[
0,
0,
0.12478118
]
] | -10.204327 | [
0,
0,
0
] | [
[
0,
0,
-0.00012482
],
[
0,
0,
-0.00100537
],
[
0,
0,
0.00113019
]
] | 0.000011 | 2.70603 | pbe | true | 77b0f984b24c25ed5108a3b3e7e513c1_107_Li1Ac1Tm1 |
[
"Ac",
"Lu",
"Np"
] | 3 | ABC | AcLuNp | Ac1 Lu1 Np1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.87357084,
3.87357084
],
[
3.87357084,
0,
3.87357084
],
[
3.87357084,
3.87357084,
0
]
] | oqmd-5113900 | [
[
1.936789999999997,
1.936789999999997,
1.936789999999997
],
[
0,
0,
0
],
[
5.81036,
5.81036,
5.81036
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Ac",
"Lu",
"Np"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
19.9456168,
0,
0
],
[
0,
19.9456168,
0
],
[
0,
0,
19.9456168
]
] | -17.9523 | [
0.052,
0.237,
4.246
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.02535 | null | pbe | true | 930ee14cd97ca38f543dcea0f326090e_216_Ac1Lu1Np1 |
[
"Ac",
"Lu",
"Pb"
] | 3 | ABC | AcLuPb | Ac1 Lu1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.823789381,
3.823789381
],
[
3.823789381,
0,
3.823789381
],
[
3.823789381,
3.823789381,
0
]
] | oqmd-5542248 | [
[
1.9118900000000023,
1.9118900000000023,
1.9118900000000023
],
[
5.735679999999999,
5.735679999999999,
5.735679999999999
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Ac",
"Lu",
"Pb"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.70536123,
0,
0
],
[
0,
3.70536123,
0
],
[
0,
0,
3.70536123
]
] | -12.6318 | [
0.002,
0.005,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.017049 | null | pbe | true | 854a539ceb0837b88c60cfca16e54080_216_Ac1Lu1Pb1 |
[
"Hg",
"Sr"
] | 12 | A2B | HgSr2 | Sr8 Hg4 | 2 | [
1,
1,
1
] | 3 | [
[
8.06721636,
0,
0
],
[
0,
8.06721636,
0
],
[
0,
0,
8.06721636
]
] | agm003209768 | [
[
0,
0,
0
],
[
4.03360818,
4.03360818,
0
],
[
4.03360818,
0,
4.03360818
],
[
0,
4.03360818,
4.03360818
],
[
5.2773597261836045,
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2.789856633816395
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[
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2.789856633816395,
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],
[
1.2437515461836053,
6.823464813816395,
5.2773597261836045
],
[
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1.2437515461836053,
2.789856633816395
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[
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1.2437515461836053,
1.2437515461836053
],
[
5.2773597261836045,
6.823464813816395,
6.823464813816395
],
[
6.823464813816395,
2.789856633816395,
6.823464813816395
],
[
1.2437515461836053,
5.2773597261836045,
1.2437515461836053
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Hg",
"Hg",
"Hg",
"Hg",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
1.9532378,
0,
0
],
[
0,
1.9532378,
0
],
[
0,
0,
1.9532378
]
] | -18.327107 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
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0.00014136
],
[
0.00014136,
0.00014136,
-0.00014136
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[
-0.00014136,
0.00014136,
-0.00014136
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[
0.00014136,
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0.00014136
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[
0.00014136,
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],
[
-0.00014136,
0.00014136,
0.00014136
],
[
0.00014136,
0.00014136,
0.00014136
],
[
-0.00014136,
-0.00014136,
-0.00014136
]
] | 0.00011 | 15.044339 | pbe | true | 5245cd15e63aa609004ee46634e398a6_205_Sr8Hg4 |
[
"Hg",
"Tb"
] | 4 | A3B | HgTb3 | Tb3 Hg1 | 2 | [
1,
1,
1
] | 3 | [
[
3.61532008,
0,
0
],
[
0,
3.61532008,
0
],
[
0,
0,
8.92690409
]
] | agm003296261 | [
[
0,
0,
4.463452045
],
[
1.80766004,
1.80766004,
1.9894841248091057
],
[
1.80766004,
1.80766004,
6.9374199651908945
],
[
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"]}] | [
"Tb",
"Tb",
"Tb",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
1.2436366,
0,
0
],
[
0,
1.2436366,
0
],
[
0,
0,
1.3909931
]
] | -15.103304 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00200861
],
[
0,
0,
0.00200861
],
[
0,
0,
0
]
] | -0.000004 | 4.516042 | pbe | true | 69c6e35e17d7bffd48f11afa7de8b3bd_123_Tb3Hg1 |
[
"Hg",
"Tc"
] | 4 | AB | HgTc | Tc2 Hg2 | 2 | [
1,
1,
1
] | 3 | [
[
3.47733969,
0,
0
],
[
0,
3.47733969,
0
],
[
0,
0,
6.88657755
]
] | agm004406133 | [
[
0.8693349225,
0.8693349225,
2.450734272282683
],
[
2.6080047674999998,
2.6080047674999998,
4.435843277717318
],
[
0.8693349225,
2.6080047674999998,
0
],
[
2.6080047674999998,
0.8693349225,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
"Hg",
"Hg",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
5.4588323,
0,
0
],
[
0,
5.4588323,
0
],
[
0,
0,
6.196399
]
] | -18.451745 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.01005544
],
[
0,
0,
0.01005544
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000041 | 3.861127 | pbe | true | 871203189762775526ae02e84f817142_129_Tc2Hg2 |