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[
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[
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1
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[
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[
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"O"... | 2014-01-20 12:58:04 | [
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] | [] | 0 | 0.368784 | pbe | true | d6d3c47379846f8cef9362b32bd5896a_15_Sr4Mo4As4H12O32 |
[
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1,
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1
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... | 2019-04-18 22:05:23 | [
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0.00477... | 0 | -1.519181 | pbe | true | a4e3060f15129fb899762f7045aad6ad_7_Na8As2P2H60O44 |
[
"Ir",
"Os",
"Y"
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1,
1
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] | 0.008332 | 5.987215 | pbe | true | 7b27ebce1ae8191907ffb56b980a6af0_47_Y1Ir1Os2 |
[
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1,
1
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] | 5.735417 | 4.08995 | pbe | true | 3af4f5b4d3999b176701267136705c73_47_K1Mn2W1 |
[
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1,
1,
1
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] | 0.401543 | null | pbe | true | 68443509c981cbac405c74b6e407b092_216_K1Nb1Ni1 |
[
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1,
1
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[
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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": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"H",
"H",
"H",
"H",
"Mo",
"Mo",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
0,
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[
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] | -41.833067 | [
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[
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[
0,
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[
0,
0,
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]
] | 0 | 3.810495 | pbe | true | 050e530a78cd8e89c6df5cb0fed0a7c7_122_Si2Mo2H4 |
[
"Au",
"Ba",
"Gd",
"Se",
"Te"
] | 12 | A2BCDE | AuBaGdSeTe2 | Au1 Ba1 Gd1 Se1 Te2 | 5 | [
1,
1,
1
] | 3 | [
[
2.180414161,
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0
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[
2.180414161,
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0
],
[
0,
0,
10.961483249
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] | oqmd-7550478 | [
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[
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... | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Au",
"Au",
"Ba",
"Ba",
"Gd",
"Gd",
"Se",
"Se",
"Te",
"Te",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
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[
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[
0,
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[
0,
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[
"K",
"Pa",
"Ta"
] | 3 | ABC | KPaTa | K1 Pa1 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.469065813,
3.469065813
],
[
3.469065813,
0,
3.469065813
],
[
3.469065813,
3.469065813,
0
]
] | oqmd-5110461 | [
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[
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1.7345299999999972,
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],
[
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"K",
"Pa",
"Ta"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
0,
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] | -14.5902 | [
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1.194,
0.797
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.86641 | null | pbe | true | b21b7176ef1505e44fe3ad96916343d1_216_K1Pa1Ta1 |
[
"Sb",
"Ta"
] | 6 | A5B | Sb5Ta | Ta1 Sb5 | 2 | [
1,
1,
1
] | 3 | [
[
0,
4.30718877,
4.30718877
],
[
4.30718877,
0,
4.30718877
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[
4.30718877,
4.30718877,
0
]
] | agm005462847 | [
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[
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[
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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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Ta",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.8333333333333334,
0.16666666666666666
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[
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0,
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[
0,
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0
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[
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0,
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]
] | -27.240467 | [
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0,
0,
0,
0,
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[
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[
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[
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[
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-0.00013816
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[
-0.00013816,
0.00013816,
-0.00013816
]
] | -0.000634 | 5.708606 | pbe | true | ae36a1435493520d041d909b71895ddb_216_Ta1Sb5 |
[
"Co",
"Hg",
"Te"
] | 4 | A2BC | CoHgTe2 | Co1 Hg1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.57969849,
3.57969849
],
[
3.57969849,
0,
3.57969849
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[
3.57969849,
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0
]
] | agm002664235 | [
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[
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[
0,
0,
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],
[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}] | [
"Te",
"Te",
"Co",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.2803426,
0,
0
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[
0,
2.2803426,
0
],
[
0,
0,
2.2803426
]
] | -11.410171 | [
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1.768,
-0.012
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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
]
] | 1.616207 | 4.131386 | pbe | true | 4df24e38ce4aad41ecc2223f1b646d91_225_Co1Hg1Te2 |
[
"Au",
"Bi",
"N",
"P",
"Pd"
] | 5 | ABCDE | AuBiNPPd | Bi1 P1 Pd1 Au1 N1 | 5 | [
1,
1,
1
] | 3 | [
[
2.90510772,
0,
0.00044591
],
[
0,
3.57413059,
0
],
[
-1.43007472,
0,
8.74074677
]
] | agm002105806 | [
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2.19643785459628
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[
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[
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[
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0,
4.457797816524089
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[
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1.787065295,
... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}] | [
"Bi",
"P",
"Pd",
"Au",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.2,
0.2
] | [
[
0.16655868,
0,
0.02892366
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[
0,
0.15423533,
0
],
[
0.02892357,
0,
0.26603407
]
] | -25.628912 | [
0,
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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[
0.00043793,
0,
0.00017531
],
[
-0.00186337,
0,
-0.00436427
]
] | -0.000002 | 1.614703 | pbe | true | d8165fd410ea943061927bc79fd0bc83_6_Bi1P1Pd1Au1N1 |
[
"K",
"Se",
"W"
] | 3 | ABC | KSeW | K1 W1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.26914548,
0,
0
],
[
-1.63457274,
2.83116303,
0
],
[
0,
0,
7.44597767
]
] | agm004275448 | [
[
0,
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[
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0.9437210005627898,
2.847719893294306
],
[
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1.88744202943721,
4.512579666668742
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"K",
"Se",
"W"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.6394944,
0,
0
],
[
0,
2.6394944,
0
],
[
0,
0,
2.5486667
]
] | -16.25153 | [
0.032,
0.017,
0.384
] | [
[
0,
0,
-0.00250387
],
[
0,
0,
0.00321864
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[
0,
0,
-0.00071477
]
] | 0.706023 | 2.365492 | pbe | true | 8f0184518e3ff14b401829d2aa60d516_156_K1W1Se1 |
[
"La",
"Re",
"Sr"
] | 3 | ABC | LaReSr | Sr1 La1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
4.87312436,
0,
0
],
[
-2.43656218,
4.22024949,
0
],
[
0,
0,
3.95922848
]
] | agm004307923 | [
[
0,
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0.7148970610917952
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[
-2.436562195048119e-8,
2.813499674067498,
0.5908147613440257
],
[
2.436562204365622,
1.4067498159325016,
2.653516697156464
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"La",
"Re",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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0,
0
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[
0,
5.206697,
0
],
[
0,
0,
4.837609
]
] | -16.971501 | [
0,
0,
0
] | [
[
0,
0,
-0.00071231
],
[
0,
0,
0.00671135
],
[
0,
0,
-0.00599904
]
] | -0.000044 | 1.867414 | pbe | true | 25a976bfc0b4149413ce3a399d4724e4_156_Sr1La1Re1 |
[
"H",
"Mo",
"Sn"
] | 6 | ABC | HMoSn | Sn2 Mo2 H2 | 3 | [
1,
1,
1
] | 3 | [
[
3.33748866,
0,
0
],
[
0,
6.47184937,
1.00232586
],
[
-1.66874433,
-1.58958719,
4.24512501
]
] | agm001022934 | [
[
1.6687459987443303,
4.73443680107071,
2.8489312014698585
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[
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[
1.6687426612556702,
3.202395507812175,
2.005179621147211
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[
0.0000016687443299378397,
1.6798666721878248,
3.2422712488... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"H",
"H",
"Mo",
"Mo",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
9.41107,
0,
0
],
[
0,
7.7891,
-0.5990713
],
[
0,
-0.5990716,
8.557281
]
] | -35.191245 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.02073946,
-0.00605449
],
[
0,
0.02073946,
0.00605449
],
[
0,
0.03376675,
-0.00268666
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[
0,
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0.00268666
],
[
0,
0.00396651,
-0.00471356
],
[
0,
-0.00396651,
0.00471356
]
] | -0.000003 | 1.438818 | pbe | true | 77d0ff91e548d198056d13a307c621aa_12_Sn2Mo2H2 |
[
"Li",
"Ni",
"Sb"
] | 3 | ABC | LiNiSb | Li1 Ni1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.24981423,
0,
0
],
[
-1.62490712,
2.81442168,
0
],
[
0,
0,
6.14105449
]
] | agm003908881 | [
[
0,
0,
0.1403944541496738
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[
1.6249071295824047,
0.9381405506185944,
2.155933060412726
],
[
-1.958240446606345e-8,
1.8762811293814057,
3.8447269754376
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"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"]}] | [
"Li",
"Ni",
"Sb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
],
[
0,
-3.5075293,
0
],
[
0,
0,
-3.2214267
]
] | -11.734558 | [
0,
0,
0
] | [
[
0,
0,
0.00215754
],
[
0,
0,
-0.00721656
],
[
0,
0,
0.00505902
]
] | 0 | 1.241051 | pbe | true | e1fd6aae170f679fcc7df3f63bd121c3_156_Li1Ni1Sb1 |
[
"H",
"N",
"Sb"
] | 5 | A3BC | HNSb3 | Sb3 H1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.54337142,
0,
0
],
[
0,
4.54337142,
0
],
[
0,
0,
4.54337142
]
] | agm002492784 | [
[
0,
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0
],
[
0,
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],
[
2.27168571,
0,
0
],
[
0,
0,
0
],
[
2.27168571,
2.27168571,
2.27168571
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Sb",
"Sb",
"Sb",
"H",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
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0,
0
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[
0,
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[
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[
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1,
1,
1
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] | -0.000029 | 2.723284 | pbe | true | 1a9da474c86a6659a2d12867a51e9e46_123_Te2H1N2 |
[
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1,
1,
1
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[
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[
"Bi",
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1,
1,
1
] | 3 | [
[
0,
3.527402,
3.527402
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[
3.527402,
0,
3.527402
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[
3.527402,
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] | oqmd-3053061 | [
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[
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"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"]}] | [
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] | 0.001639 | null | pbe | true | 5f64cbe3a8fc1cef435355c117dd64bc_216_Pm1Si1Bi1 |
[
"N",
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1,
1,
1
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[
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0,
0
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[
0,
5.56868739,
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[
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[
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] | 0 | 2.111551 | pbe | true | 8b64f27686001776d0ce1479244846be_122_Ta2Pb2N4 |
[
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"Li",
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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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[
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[
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[
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[
"Al",
"Ge",
"I"
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1,
1,
1
] | 3 | [
[
0,
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3.59845202
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[
3.59845202,
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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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
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0.25
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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
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] | 0 | 3.425771 | pbe | true | 7d2a18efd480f855669537440f8f1c70_225_Al1Ge2I1 |
[
"Al",
"Hg",
"Tb"
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1,
1,
1
] | 3 | [
[
3.46037071,
0,
0
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[
0,
3.46037071,
0
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[
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] | agm001850064 | [
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"Tb",
"Hg",
"Al"
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0.3333333333333333,
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[
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] | -9.458783 | [
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[
0,
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[
0,
0,
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] | 0.110927 | 2.385068 | pbe | true | fb578d7ecbe585049752b9657be275c3_107_Tb1Al1Hg1 |
[
"Au",
"I",
"K",
"Na",
"O"
] | 36 | A8B6C2DE | Au2IK6NaO8 | Au4 I2 K12 Na2 O16 | 5 | [
1,
1,
1
] | 3 | [
[
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0,
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[
0,
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[
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] | mp-555392 | [
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[
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] | [] | 0 | 0.960035 | pbe | true | a8085a690359cd7ece01136325244f40_13_K12Na2Au4I2O16 |
[
"Ba",
"Cu",
"La",
"S",
"Te"
] | 12 | A2BCDE | BaCuLaSTe2 | Ba1 Cu1 La1 S1 Te2 | 5 | [
1,
1,
1
] | 3 | [
[
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0
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[
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[
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Ba",
"Ba",
"Cu",
"Cu",
"La",
"La",
"S",
"S",
"Te",
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] | 2024-11-01 00:00:00 | [
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[
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... | -0.003969 | null | pbe | true | 7121344f00d20c919ddbdb5899fc4b71_63_Ba2La2Cu2Te4S2 |
[
"Ba",
"Eu",
"Nb",
"Nd",
"O"
] | 20 | A6BCDE | BaEuNbNdO6 | Ba2 Eu2 Nb2 Nd2 O12 | 5 | [
1,
1,
1
] | 3 | [
[
6.05158969,
0.01384164,
0.01825293
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[
0.01727817,
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[
0.03007254,
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] | mp-1518460 | [
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[
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1
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1
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[
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[
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[
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] | -0.000058 | 2.257348 | pbe | true | 408671eb39658bc1a1816ec8cd0abedc_123_Sr1Mg1Bi2 |
[
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1,
1,
1
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[
"Al",
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1,
1
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[
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[
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1,
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1
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[
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1,
1,
1
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] | 2014-02-17 21:22:23 | [
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[
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1
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... | 2014-07-05 09:46:26 | [
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[
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1,
1
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] | 0.999996 | 4.119158 | pbe | true | 300b21c0a821a60b093be22dcb440ae8_166_Sr1Pr1N2 |
[
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] | 2014-02-17 21:15:27 | [
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] | [] | 11.648 | 1.081942 | pbe | true | 90ec3c5dadffef999a54bb03807f5119_13_Rb2Li4Cr4B6O18 |
[
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] | 4 | A2BC | CoLaTa2 | La1 Ta2 Co1 | 3 | [
1,
1,
1
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"Co",
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] | 0.031836 | 4.684117 | pbe | true | a04ccf9cc4f5e9f795184d881235b0e9_12_La1Ta2Co1 |
[
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] | 52 | A8B2CDE | CoFeKO8P2 | Co4 Fe4 K4 O32 P8 | 5 | [
1,
1,
1
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[
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[
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[
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[
3.079714196216771,... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"Li",
"Li",
"Li",
"Li",
"Fe",
"Fe",
"Fe",
"Fe",
"B",
"B",
"B",
"B",
"B",
"B",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-17 21:15:06 | [
0.17647058823529413,
0.11764705882352941,
0.11764705882352941,
0.5294117647058824,
0.058823529411764705
] | [] | -232.460722 | [
0.001,
0.001,
0.004,
0.004,
0.004,
0.004,
4.296,
4.296,
4.296,
4.296,
0.025,
0.025,
0.015,
0.015,
0.025,
0.025,
0.14,
0.14,
0.125,
0.125,
0.112,
0.112,
0.134,
0.134,
0.01,
0.01,
0.134,
0.134,
0.112,
0.112,
0.125,
0.125,
0.14,
0.14
] | [] | 19.396 | 0.270145 | pbe | true | 27331e6171f2321c993cc301eff95197_13_Rb2Li4Fe4B6O18 |
[
"Al",
"Sm"
] | 4 | AB | AlSm | Al1 Sm1 | 2 | [
1,
1,
1
] | 3 | [
[
5.171191,
0,
0
],
[
0,
3.658792,
0
],
[
0,
0,
5.206518
]
] | oqmd-4119294 | [
[
1.292799999999999,
0,
1.1638299999999984
],
[
3.8783899999999982,
0,
4.042689999999999
],
[
3.8783899999999982,
1.8293999999999984,
1.3970799999999983
],
[
1.292799999999999,
1.8293999999999984,
3.8094399999999986
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Al",
"Al",
"Sm",
"Sm"
] | 2024-11-01 00:00:00 | [
0.5,
0.5
] | [
[
3.84267,
0,
0
],
[
0,
5.2482,
0
],
[
0,
0,
5.11569
]
] | -18.4055 | [
0,
0,
0.001,
0.001
] | [
[
0,
0,
0.047319
],
[
0,
0,
-0.047319
],
[
0,
0,
-0.026015
],
[
0,
0,
0.026015
]
] | 0.000842 | null | pbe | true | e7cfec954e60dc9c6fdeaca142442532_51_Sm2Al2 |
[
"Al",
"Ta"
] | 4 | A3B | AlTa3 | Ta3 Al1 | 2 | [
1,
1,
1
] | 3 | [
[
4.13397742,
0,
0
],
[
0,
4.13397742,
0
],
[
0,
0,
4.13397742
]
] | agm002135537 | [
[
0,
0,
0
],
[
0,
2.06698871,
2.06698871
],
[
2.06698871,
2.06698871,
0
],
[
2.06698871,
0,
2.06698871
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Ta",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
5.3049903,
0,
0
],
[
0,
5.3049903,
0
],
[
0,
0,
5.3049903
]
] | -39.539455 | [
0,
-0.001,
-0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 7.961771 | pbe | true | 51057324f32a8f1bc8d3c2a8b230bfca_221_Ta3Al1 |
[
"Cs",
"Cu",
"Pb",
"S",
"Te"
] | 12 | A2BCDE | CsCuPbSTe2 | Cs1 Cu1 Pb1 S1 Te2 | 5 | [
1,
1,
1
] | 3 | [
[
1.951827095,
-8.300462611,
0
],
[
1.951827095,
8.300462611,
0
],
[
0,
0,
11.833091121
]
] | oqmd-7440621 | [
[
1.95183,
5.0128900000000005,
2.95827
],
[
1.95183,
-5.01289,
8.87482
],
[
1.95183,
-7.46407,
2.95827
],
[
1.95183,
7.46407,
8.87482
],
[
1.95183,
2.9168307461787763e-16,
0
],
[
1.95183,
2.9168307461787763e-16,
5.9165500000... | [{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Cs",
"Cs",
"Cu",
"Cu",
"Pb",
"Pb",
"S",
"S",
"Te",
"Te",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] | [
[
4.79713219,
0,
0
],
[
0,
2.84617552,
0
],
[
0,
0,
4.48195827
]
] | -41.9908 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.006044,
0
],
[
0,
-0.006044,
0
],
[
0,
0.057298,
0
],
[
0,
-0.057298,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.039133,
0
],
[
0,
-0.039133,
0
],
[
0,
0.022927,
-0.033199
... | null | null | pbe | true | e499e893d1c6a54aec35922c6026ef64_63_Cs2Cu2Te4Pb2S2 |
[
"Cs",
"Cu",
"Pt",
"S",
"Se"
] | 12 | A2BCDE | CsCuPtS2Se | Cs1 Cu1 Pt1 S2 Se1 | 5 | [
1,
1,
1
] | 3 | [
[
1.879402918,
-7.721518942,
0
],
[
1.879402918,
7.721518942,
0
],
[
0,
0,
10.242811896
]
] | oqmd-4911830 | [
[
1.8794,
3.814260000000002,
2.560699999999996
],
[
1.8794,
-3.8142600000000018,
7.682109999999994
],
[
1.8793999999999993,
-7.030849999999997,
2.560699999999996
],
[
1.8793999999999993,
7.030849999999998,
7.682109999999994
],
[
1.8793999999999984,... | [{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Cs",
"Cs",
"Cu",
"Cu",
"Pt",
"Pt",
"S",
"S",
"S",
"S",
"Se",
"Se"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666
] | [
[
5.44492911,
0,
0
],
[
0,
4.10634946,
0
],
[
0,
0,
4.3699773
]
] | -50.3804 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.013168,
0
],
[
0,
-0.013168,
0
],
[
0,
0.04598,
0
],
[
0,
-0.04598,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.094385,
-0.033404
],
[
0,
0.094385,
0.033404
],
[
0,
-0.094385,
... | 0.001419 | null | pbe | true | 26e6bb9b123644b887b84da0d182f4f0_63_Cs2Cu2Pt2Se2S4 |
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