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1
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0.0... | 2.05106 | null | pbe | true | 10f06d3b156c9a1b20b6b714a501ae3e_63_Li2Pr2Ni2Se6 |
[
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1.7677... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
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"Ni",
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"S",
"S",
"S",
"S",
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] | 2024-11-01 00:00:00 | [
0.16666666666666666,
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[... | 0.712385 | null | pbe | true | f0544abe40c79f7bb331063dd8b9cbaf_63_Li2Zr2Ni2S6 |
[
"Ni",
"Pb",
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] | 3 | ABC | NiPbTi | Ti1 Ni1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.28290721,
0,
0
],
[
-2.1414536,
3.70898671,
0.00018839
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[
0,
2.47277755,
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] | agm002191269 | [
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"Pb",
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] | 2023-11-16 06:57:59 | [
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] | -18.022158 | [
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[
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[
0,
0.00000947,
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] | 0 | 0 | pbe | true | 9f63761b586652833b9de63d35c2ede2_216_Ti1Ni1Pb1 |
[
"Li",
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"Zr"
] | 12 | A3BCD | LiNiSe3Zr | Li1 Ni1 Se3 Zr1 | 4 | [
1,
1,
1
] | 3 | [
[
1.826896571,
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0
],
[
1.826896571,
6.611015487,
0
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[
0,
0,
9.880203866
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] | oqmd-8897399 | [
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[
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[
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0.704879... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Li",
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] | 2024-11-01 00:00:00 | [
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[
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[... | 0.092404 | null | pbe | true | bbaedcbdb71ebb915cfe0898150a1369_63_Li2Zr2Ni2Se6 |
[
"La",
"Os",
"Pt"
] | 4 | A2BC | LaOsPt2 | La1 Os1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.37579994,
0,
0
],
[
0,
3.37579994,
0
],
[
0,
0,
6.83212557
]
] | agm004372918 | [
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[
0,
0,
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"La",
"Os",
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"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
0,
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0
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[
0,
0,
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]
] | -28.486734 | [
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[
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0
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[
0,
0,
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[
0,
0,
-0.02224233
]
] | -0.000001 | 3.262068 | pbe | true | dbc06731e799fb76ff58bda225f31e05_123_La1Os1Pt2 |
[
"Li",
"Mo",
"Se"
] | 4 | A2BC | LiMo2Se | Li1 Mo2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.46372784,
0,
0
],
[
0,
4.46372784,
0
],
[
0,
0,
2.9317987
]
] | agm003954087 | [
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0,
0,
0
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[
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],
[
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0,
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Li",
"Mo",
"Mo",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.5448015,
0,
0
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[
0,
2.5448015,
0
],
[
0,
0,
2.6031992
]
] | -25.212596 | [
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
]
] | -0.000155 | 3.359212 | pbe | true | f0fe21c376f4a4e82db94540b4e63601_123_Li1Mo2Se1 |
[
"Li",
"Ni",
"Sr"
] | 4 | A2BC | Li2NiSr | Sr1 Li2 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.208868,
0,
0
],
[
0,
4.20901158,
0
],
[
0,
0,
5.05581448
]
] | agm004079778 | [
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[
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0
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[
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0,
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[
0,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Li",
"Li",
"Ni",
"Sr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | -10.509921 | [
0,
0,
0,
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
]
] | 0.000056 | 2.220782 | pbe | true | 1dccdcefcdbe6c7cf4779d054d53b750_123_Sr1Li2Ni1 |
[
"Cd",
"Li",
"Ru"
] | 4 | A2BC | Cd2LiRu | Li1 Cd2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.07398226,
0.00088565,
0
],
[
1.85658169,
4.7221183,
0
],
[
-3.46528085,
-2.36150121,
2.85664793
]
] | agm004234930 | [
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0,
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0
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[
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[
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0
],
[
2.5369916924999996,
0.0004432075000000424,
1.428323965
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Cd",
"Cd",
"Li",
"Ru"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0.35795063,
0.00000221
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[
0.35795063,
5.877657,
0.00000151
],
[
0.00000221,
0.00000151,
5.6337304
]
] | -12.470967 | [
-0.004,
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-0.002,
0.601
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.616174 | 1.981846 | pbe | true | 1a29a239841e29368a2becafe003cdf6_119_Li1Cd2Ru1 |
[
"Li",
"Os",
"Si"
] | 4 | A2BC | Li2OsSi | Li2 Si1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.50192066,
0,
0
],
[
0,
3.50192066,
0
],
[
0,
0,
4.26769206
]
] | agm003912352 | [
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0,
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0
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[
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0
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[
1.75096033,
0,
2.13384603
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[
0,
1.75096033,
2.13384603
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Li",
"Li",
"Os",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | -20.560343 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000011 | 2.52428 | pbe | true | eabd87c724ee256f9e663966fbcee532_123_Li2Si1Os1 |
[
"Pb",
"Pt",
"Se"
] | 10 | A3BC | PbPtSe3 | Pt2 Pb2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
15.62531274,
0.00001716,
0
],
[
-0.00002764,
3.67296703,
0
],
[
0,
0,
18.35238141
]
] | agm2000100636 | [
[
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[
13.949324637709845,
1.3116198719509888,
9.176190888523815
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[
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Pt",
"Pt",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
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[
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0
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[
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0
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[
0,
0,
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] | -40.439854 | [
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0,
0,
0,
0,
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0,
0,
0,
0
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0
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[
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0
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[
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0
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[
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[
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0.00365651
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[
-0.00710074,
0.000625,
-0.00365651
],
[
-0.007... | 0 | 6.840381 | pbe | true | 747bea4ff04079c90f7f48ffb9b1c82e_51_Pt2Pb2Se6 |
[
"Pb",
"Pu",
"Tl"
] | 10 | A5B4C | Pb5Pu4Tl | Pu4 Tl1 Pb5 | 3 | [
1,
1,
1
] | 3 | [
[
3.42144421,
0,
3e-8
],
[
0,
3.42144421,
1e-8
],
[
0.00000206,
0.00000103,
24.5451787
]
] | agm006051887 | [
[
4.3280315720000007e-7,
2.1640157860000004e-7,
5.156908172523394
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[
8.328198488000002e-7,
4.164099244000001e-7,
9.923161171700476
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[
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3.421444823590076,
14.622017568299526
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[
3.421445837196843,
3.4214450235984217,
19.3882705674766... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Pu",
"Pu",
"Pu",
"Pu",
"Tl",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
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[
6.6154733,
0,
6.2e-7
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[
0,
6.6154733,
3.1e-7
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[
6.2e-7,
3.1e-7,
6.8247585
]
] | -79.333183 | [
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5.6,
5.6,
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0.026,
0.027,
0.002,
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[
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[
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[
0,
0,
0
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[
0,
0,
-0.02573... | 0.101977 | 29.977325 | pbe | true | 98c685c0ffcc0f1148445afb8ca89f60_123_Pu4Tl1Pb5 |
[
"Pb",
"Pu",
"Tm"
] | 3 | ABC | PbPuTm | Pb1 Pu1 Tm1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.630638,
3.630638
],
[
3.630638,
0,
3.630638
],
[
3.630638,
3.630638,
0
]
] | oqmd-3369847 | [
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1.8153199999999992
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[
5.445959999999999,
5.445959999999999,
5.445959999999999
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[
0,
0,
0
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Pb",
"Pu",
"Tm"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
0,
3.89431,
0
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[
0,
0,
3.89431
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] | -21.6423 | [
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0
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[
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[
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[
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-0.0581608... | 7.194 | 4.733255 | pbe | true | dad289cd6e5decc7d77cc9f2aa4a833e_14_Li12Ti8P12O48 |
[
"Cd",
"Ru",
"W"
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1,
1,
1
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0,
0
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[
0,
3.00950287,
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[
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] | -0.000002 | 2.276002 | pbe | true | e5cb26537182c83aa880bf89b4a8dd2c_99_Cd2Ru1W1 |
[
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"P",
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1,
1,
1
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[
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-0.0002... | 0.000014 | 0 | pbe | true | 7be1c09847adff2dc97c2761c7f7d7ad_14_Li4U16P12O80 |
[
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1,
1,
1
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[
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[
0,
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] | -0 | 4.476552 | pbe | true | 31054cf9152408291c654602463d156c_221_K1Rb1Be3 |
[
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1,
1,
1
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[
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[
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1,
1,
1
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[
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] | 0 | 1.07892 | pbe | true | 3d4a4363962c633147a912f97cdda602_44_Y1Cd1Si2 |
[
"Cd",
"Sm",
"Tl"
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1,
1,
1
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0,
0
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[
0,
3.92578589,
0
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[
0,
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[
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"Tl",
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"Cd"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -9.578919 | [
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[
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] | 0.36425 | 2.553393 | pbe | true | 9d0220816e066e1b02bbe38926ea5851_123_Sm1Tl1Cd2 |
[
"Cd",
"Ta",
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1,
1,
1
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[
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0,
0
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[
0,
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[
0,
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] | -0.000056 | 2.013413 | pbe | true | e326723ad4d0e249dbc4cb323a125e22_47_Ta1Cd2Tc1 |
[
"Cd",
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1,
1,
1
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[
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0,
0
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[
2.42284181,
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0
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[
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] | agm004061584 | [
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"Cd",
"Te",
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] | 2023-11-16 06:57:59 | [
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] | -12.093416 | [
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[
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[
0,
0,
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] | 2.044525 | 3.246589 | pbe | true | 983eab0096a6dbace107c06b7c0fa651_216_Ta1Cd1Te1 |
[
"Cd",
"Ta",
"W"
] | 4 | A2BC | CdTa2W | Ta2 Cd1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
10.33523954,
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[
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[
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] | agm004196240 | [
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Cd",
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"Ta",
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] | 2023-11-16 06:57:59 | [
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[
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] | -35.954484 | [
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[
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0.00024836
]
] | 0.000005 | 3.018114 | pbe | true | 7c69c7b47d324b65082695fe9ed1db61_160_Ta2Cd1W1 |
[
"Bi",
"Cs",
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] | 11 | A5B4C2 | Bi4Cs5Zn2 | Cs5 Zn2 Bi4 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
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[
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[
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[
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