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[
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] | 5 | A2BCD | KNaPPd2 | K1 Na1 P1 Pd2 | 4 | [
1,
1,
1
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] | 0.000006 | 13.213146 | pbe | true | 975a9027c8ca421753b697c57c527492_12_La2Pr4Nd1Sm2 |
[
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1,
1,
1
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[
"N",
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"Rb",
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1,
1,
1
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5.26374204,
0,
0
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0,
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"S",
"S",
"Rb",
"Pd",
"N"
] | 2023-11-16 06:57:59 | [
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0.2,
0.4
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0,
0,
0
]
] | 0.199243 | 5.931762 | pbe | true | f35c9f1f1c139a4430879dab330578fd_123_Rb1Pd1S2N1 |
[
"Ba",
"O",
"Pt"
] | 18 | A7BC | BaO7Pt | Ba2 O14 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
6.54972316,
0,
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[
0,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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[
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1,
1
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[
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[
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1,
1
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[
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1,
1,
1
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[
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1
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[
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1
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[
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1
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[
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1,
1
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[
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
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"Cu",
"Cu",
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"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
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] | -0.000022 | 16.73305 | pbe | true | cb01c0eb4a2f50e733f7ab231b4d0ebe_166_Sc4Cu14 |
[
"Ba",
"Se"
] | 4 | AB | BaSe | Ba1 Se1 | 2 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
-2.798994026,
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0
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[
0,
0,
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] | oqmd-5667762 | [
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"Ba",
"Ba",
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"Se"
] | 2024-11-01 00:00:00 | [
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[
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[
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] | null | null | pbe | false | 69af206eb82b1c2a954868f9f5b37ee8_194_Ba2Se2 |
[
"Al",
"Ti",
"Zn"
] | 14 | A4B2C | AlTi4Zn2 | Ti8 Al2 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
8.98059624,
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[
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] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
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"Zn",
"Al",
"Al",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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0.615,
0.004,
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[
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] | 3.25004 | 12.17909 | pbe | true | 52d7ba4fa60f2e2d3bb830749c36eb86_12_Ti8Al2Zn4 |
[
"Au",
"Co",
"Zr"
] | 4 | A2BC | AuCo2Zr | Zr1 Co2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.61427385,
-0.00683853,
-0.02091746
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[
2.82737286,
3.64657821,
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[
1.80974018,
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3.5334933
]
] | agm004071433 | [
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0.872914595
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Co",
"Co",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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5.207653,
0.09245138
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[
0.18902215,
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4.890444
]
] | -26.599785 | [
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0.77,
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[
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[
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0.00311481
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[
0,
0,
0
]
] | 1.192821 | 5.270398 | pbe | true | 8fb7cc3a2e390314f25eab91dd7ec246_139_Zr1Co2Au1 |
[
"Au",
"Re",
"Se"
] | 4 | A2BC | AuReSe2 | Re1 Au1 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
1.62483826,
0,
12.1391372
],
[
-0.81241913,
1.40715121,
12.1391372
],
[
-0.81241913,
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12.1391372
]
] | agm002784242 | [
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0,
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0
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[
0,
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18.2087058
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33.92530512208993
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[
3.2272428206923105e-19,
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2.492106477910068
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Re",
"Au",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.369891,
0,
0
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[
0,
5.369891,
0
],
[
0,
0,
5.3223667
]
] | -20.961715 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0.00670074
]
] | -0.000146 | 3.562325 | pbe | true | 3598e8f31bb12173f41c43201381a8f4_166_Re1Au1Se2 |
[
"B",
"Ca",
"Se"
] | 5 | A3BC | BCaSe3 | Ca1 B1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
5.51385485,
0,
0
],
[
0,
5.51385485,
0
],
[
0,
0,
5.51385485
]
] | agm002409904 | [
[
0,
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[
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[
0,
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0
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[
0,
0,
2.756927425
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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": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Ca",
"B",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.57165235,
0,
0
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[
0,
0.57165235,
0
],
[
0,
0,
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]
] | -14.254701 | [
0.001,
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] | [
[
0,
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 2.426258 | 4.276981 | pbe | true | f67210350f927c36690ed5428ec19156_221_Ca1B1Se3 |
[
"Br",
"Mo",
"Ni"
] | 4 | A2BC | BrMo2Ni | Ni1 Mo2 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
8.63925547,
-0.00448799,
-0.00264146
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[
8.14876842,
2.86955194,
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[
8.14876842,
1.39067843,
2.51004957
]
] | agm004167351 | [
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18.7025942325,
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[
24.857788811443072,
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2.1413540202211974,
1.2603188014621975
],
[
6.234198077499999,
1.063935595,
0.6261916625
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Br",
"Mo",
"Mo",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
-0.00430828,
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[
-0.00253569,
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]
] | -26.548746 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0.00304385,
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0.00030574
],
[
-0.00304385,
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[
0,
0,
0
]
] | -0.000001 | 4.022111 | pbe | true | 184eb684d08b30850855a5abf3b6b76e_166_Ni1Mo2Br1 |
[
"Ca",
"Li",
"P"
] | 3 | ABC | CaLiP | Li1 Ca1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.84796209,
0.00055708,
-0.00068131
],
[
3.24560672,
3.60159363,
-0.00147048
],
[
1.60235446,
0.71452685,
3.52943619
]
] | agm004040255 | [
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1.6755271281453794,
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3.4896261172842915
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[
3.7922113191215243,
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2.3380301225676208
],
[
5.830539217820953,
2.595439500985267,
1.2290643854639676
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ca",
"Li",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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0.6102865,
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],
[
0.0433769,
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0.6117401
]
] | -11.266323 | [
0,
0,
0
] | [
[
0.00461687,
0.00205382,
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[
-0.00236874,
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0.00128873
],
[
-0.00224813,
-0.00100008,
0.00122311
]
] | 0.000001 | -0.003888 | pbe | true | 3a469994020d5c4c03866f21aa24aecc_107_Li1Ca1P1 |
[
"Ce",
"Ni",
"Sc"
] | 6 | A4BC | CeNi4Sc | Ce1 Sc1 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.99826784,
0,
0
],
[
2.49913392,
4.32862692,
0
],
[
2.49913392,
1.44287564,
4.0810686
]
] | agm001184480 | [
[
0,
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[
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[
4.998270364125259,
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[
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[
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3.611931543653552,
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[
2.49913392,
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Ni",
"Ni",
"Ni",
"Ni",
"Ce"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -37.954177 | [
0,
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] | [
[
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[
0,
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[
0,
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[
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],
[
-0.00137554,
0.00079417,
0.00056156
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[
0,
0,
0
]
] | 0.000032 | 5.43025 | pbe | true | 0d9d6ef34774d9d9c4e225514bb389c2_216_Ce1Sc1Ni4 |
[
"Cl",
"Cu",
"F"
] | 11 | A4B4C3 | Cl4Cu4F3 | Cu4 Cl4 F3 | 3 | [
1,
1,
1
] | 3 | [
[
7.12098782,
1e-8,
0
],
[
-2.9e-7,
3.78485449,
0
],
[
0,
0,
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] | agm2000077628 | [
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5.487006709131071,
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1.6339810528681542,
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[
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[
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[
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1,
1
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[
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1,
1
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] | 0 | 7.456709 | pbe | true | bce6a251fa34ebe3a7e201f1218d712e_8_In1Ru4Pb6 |
[
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1,
1
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] | -0.000057 | 17.762318 | pbe | true | c143feae697e205f2f150ea07b81c20a_12_La2Tm8Sc1 |
[
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1,
1
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] | 0.363658 | 9.70083 | pbe | true | c95926e820de75c66cbf1a88b2a0821a_148_Yb2Ti2O6 |
[
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1,
1
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[
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1,
1,
1
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] | -0.000006 | 2.318101 | pbe | true | 58e0dcd5eeb3feb324306e7f0ee8fa4f_216_Cs1Ba1Cd1Pb1 |
[
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1,
1
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] | -0 | 2.122248 | pbe | true | f28050f923a78b559e39f6e0336a55de_12_Dy1Y2Sc3Bi6 |
[
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1,
1,
1
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] | 0.000016 | 3.23214 | pbe | true | 8fcac65475b3e5006e96d1f1ccde4602_216_Tb1Th1Tl1Ga1 |
[
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1,
1,
1
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] | 0.000113 | 12.911794 | pbe | true | 6380cd5f24891a876e53647c2cd1fd06_26_Tb4Pr2Nd2Tl4 |
[
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1,
1,
1
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] | 3.872101 | 8.096868 | pbe | true | 6de4228cc92ad7e7fddefe3ae0b75ab1_115_Th2Np1P3Rh4 |
[
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1,
1
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[
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1,
1,
1
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"Eu",
"Br",
"Br",
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0.25,
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0.5
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[
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1,
1,
1
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"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
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] | 2017-04-12 14:26:22 | [
0.125,
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0,
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0,
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] | [] | 0 | 4.58303 | pbe | true | 440196218a4290c3f50d56d3152b1073_38_Hf1Mg6Sn1 |
[
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1,
1,
1
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] | 0 | -1.540219 | pbe | true | 3a7ae502d0da212d28b17f0ebc43be13_14_Cd4Si12P4H108C36Br8 |
[
"Cr",
"Tc",
"Zn"
] | 4 | A2BC | CrTc2Zn | Zn1 Cr1 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
8.93596704,
0.01151426,
0.00675375
],
[
8.52205808,
2.68815283,
0.00675375
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[
8.52205808,
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2.34297541
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] | agm004133527 | [
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6.522544619743743,
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25.956818295295232,
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13.03620690884224,
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"Cr",
"Tc",
"Tc",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0.00470068,
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[
0.00275721,
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] | -30.963564 | [
0.001,
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0,
0
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[
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[
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[
-0.00156122,
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]
] | 0.000985 | 3.443929 | pbe | true | 0a7e68b6fe2f5de5bd452e11272b65e1_160_Zn1Cr1Tc2 |
[
"Er",
"In",
"La"
] | 14 | A4B2C | Er4InLa2 | La4 Er8 In2 | 3 | [
1,
1,
1
] | 3 | [
[
5.60408999,
0,
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[
0,
6.56861136,
0
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[
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] | agm003449267 | [
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3.3799360689927203,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
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"La",
"La",
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"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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[
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] | -0.000002 | 15.255323 | pbe | true | 9be7931474f7f8bc5ed71966d2d0ba13_11_La4Er8In2 |
[
"Er",
"La",
"Pm"
] | 11 | A4B4C3 | Er4La3Pm4 | La3 Pm4 Er4 | 3 | [
1,
1,
1
] | 3 | [
[
3.51633512,
-3e-8,
0.90955226
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[
0.10280443,
10.09240523,
6.85441899
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[
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11.94140681
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] | agm005697714 | [
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"La",
"La",
"Pm",
"Pm",
"Pm",
"Pm",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.2727272727272727,
0.36363636363636365
] | [
[
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[
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] | -50.535553 | [
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[
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[
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[
0.00035876,
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]
] | -0.000002 | 15.256445 | pbe | true | 8b8fadfc5ad269e449161a4d4cf5ad26_71_La3Pm4Er4 |
[
"Hg",
"Na",
"Th"
] | 4 | A2BC | HgNa2Th | Na2 Th1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.39424251,
0,
0
],
[
1.69712125,
2.93950024,
0
],
[
1.69712125,
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] | agm002006858 | [
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1.697122948079528,
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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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
"Na",
"Na",
"Hg",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
0,
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[
0,
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] | -9.819378 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | -0 | 3.520291 | pbe | true | d0e7ce4f2a8d32be8a8f15cb067fde3c_166_Na2Th1Hg1 |
[
"In",
"Li",
"Pr"
] | 10 | A2B2C | InLi2Pr2 | Li4 Pr4 In2 | 3 | [
1,
1,
1
] | 3 | [
[
6.78948119,
0,
0
],
[
-3.39474059,
5.51293683,
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[
0,
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] | agm003407039 | [
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Li",
"Li",
"Li",
"Li",
"Pr",
"Pr",
"Pr",
"Pr",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
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[
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[
0,
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[
0,
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] | -33.794922 | [
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[
0.00940484,
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[
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0,
0
]
] | -0.000118 | 9.420364 | pbe | true | b7a0e829a5a0da2b23488be7ce243a5e_15_Li4Pr4In2 |
[
"In",
"Pt",
"Si"
] | 3 | ABC | InPtSi | In1 Si1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
5.87780348,
-0.06990043,
0.07548958
],
[
5.03200141,
3.03857502,
0.07120815
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[
0.84580238,
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] | agm003961042 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"In",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -14.659074 | [
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[
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[
0.00849995,
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]
] | 0.000001 | 0.776176 | pbe | true | 768c414020f34320ef61c21a02f71e62_107_In1Si1Pt1 |
[
"K",
"Pt",
"Tc"
] | 3 | ABC | KPtTc | K1 Tc1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.63066304,
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0
],
[
0,
4.19232856,
0
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[
0,
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] | agm003087362 | [
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"K",
"Tc",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -15.315206 | [
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[
0,
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[
0,
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]
] | 0.473766 | 2.779564 | pbe | true | a91c280e37632a0c0ff5eb6d47a0608c_187_K1Tc1Pt1 |
[
"Mg",
"Pt",
"Th"
] | 14 | A4B2C | Mg4Pt2Th | Th2 Mg8 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
3.98703633,
0,
0
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[
0,
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[
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[
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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[
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1,
1
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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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1,
1
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] | 0.000001 | 2.97201 | pbe | true | e50dbe2a86e25e17f40b6edad16940ca_166_Li1La1Al2Ga4 |
[
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1
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] | 0.000495 | 6.07825 | pbe | true | ad1f77a067aeb252b3cdff89c902d1c2_123_Tb2Nd1Hg1C1 |
[
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1
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[
0,
5.6733975,
0
],
[
0,
0,
5.6733975
]
] | -33.616461 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
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[
0,
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],
[
0.00042839,
0.00024733,
0.00017489
],
[
-0.00042839,
0.00024733,
0.00017489
]
] | -0.000523 | 6.466476 | pbe | true | 8ba8d095f94a8bf44eae8bc67d765b2a_216_Pa1Hg1Pd4 |
[
"In",
"Tb",
"Ti"
] | 4 | A2BC | In2TbTi | Tb1 Ti1 In2 | 3 | [
1,
1,
1
] | 3 | [
[
3.32717709,
0,
0
],
[
1.66358855,
2.88141989,
0
],
[
1.66358855,
0.9604733,
10.01541925
]
] | agm001928177 | [
[
0,
0,
0
],
[
3.327177095,
1.920946595,
5.007709625
],
[
4.990763995618355,
2.881418941702452,
7.724940340612246
],
[
1.6635901943816453,
0.9604742482975479,
2.290478909387755
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Ti",
"Tb",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.6796036,
0,
0
],
[
0,
3.6796036,
0
],
[
0,
0,
3.959753
]
] | -18.258002 | [
0.666,
-0.059,
0.005,
0.005
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00520778
],
[
0,
0,
0.00520778
]
] | 0.793416 | 4.322516 | pbe | true | 3046909cb24841a410d452a7a2c8d565_166_Tb1Ti1In2 |
[
"Ir",
"Mo",
"Se"
] | 4 | A2BC | IrMo2Se | Mo2 Ir1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.09872374,
0,
0
],
[
0,
4.4141918,
0
],
[
0,
0,
4.61157093
]
] | agm004380894 | [
[
0,
2.2070959,
2.305785465
],
[
0,
0,
0
],
[
1.54936187,
2.2070959,
0
],
[
1.54936187,
0,
2.305785465
]
] | [{"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": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Mo",
"Mo",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
7.303991,
0,
0
],
[
0,
7.640214,
0
],
[
0,
0,
6.9340734
]
] | -32.614043 | [
0,
0,
0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000968 | 4.230596 | pbe | true | 009cd891f97299d98a81a2af8506ac62_47_Mo2Ir1Se1 |
[
"Ir",
"Pt",
"Se"
] | 4 | A2BC | IrPt2Se | Ir1 Pt2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
8.83276864,
0.00680236,
0.00400164
],
[
8.34757107,
2.88719679,
0.00400164
],
[
8.34757107,
1.40613422,
2.52164785
]
] | agm004115587 | [
[
19.26867613033329,
3.2457758857683,
1.9094013907667546
],
[
0.0600584945756748,
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[
6.327028356487834,
1.0657772194184076,
0.6269676578496524
],
[
12.636103188603203,
2.128530198039028,
1.252156237356087
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Ir",
"Pt",
"Pt",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.1043,
-0.00431818,
-0.00254026
],
[
-0.00431818,
5.129208,
-0.0004279
],
[
-0.00254026,
-0.0004279,
5.1296835
]
] | -23.573246 | [
0,
0,
0,
0
] | [
[
0.00202623,
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0.00020079
],
[
-0.00433403,
-0.00073006,
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],
[
-0.00464846,
-0.00078303,
-0.00046063
],
[
0.00695626,
0.00117177,
0.00068932
]
] | 0.00001 | 4.34576 | pbe | true | 69c852784ff7dd3f8f33a72b41d09a15_160_Ir1Pt2Se1 |
[
"La",
"S",
"Sb"
] | 10 | A5B4C | La5S4Sb | La5 Sb1 S4 | 3 | [
1,
1,
1
] | 3 | [
[
4.16851659,
0,
-0.804216
],
[
-0.31220537,
5.8297514,
-1.61826332
],
[
0.01186874,
-0.01962307,
11.26703105
]
] | agm006127284 | [
[
2.510826387021995,
0.636601489203351,
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[
3.2507900088744637,
1.7409080526735503,
5.644413708426558
],
[
0.6173899511255364,
4.069220277326449,
3.200138021573441
],
[
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],
[
1.3573535729780053,
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[
0,
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[
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[
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[
0.7943444562760588,
1.1854633703186594,
4.117362581397696
],
[
2.3213390746656954,
3.5016609130241148,
0.8267722018833351
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"La",
"La",
"La",
"La",
"La",
"Sb",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
0.32427806,
0.0061816,
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],
[
0.0061816,
0.19777468,
0.03204132
],
[
-0.00391656,
0.03204132,
0.30473304
]
] | -64.692052 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00064604,
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[
0.00006916,
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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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[
-0.00003445,
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[
0.00003445,
0.00005142,
0.00017858
],
[
-0.00074523,
-0.00111217,
-0.0038628
]
] | 0.000007 | 5.868602 | pbe | true | 4d5abcd82aeb09f3eb238e9c0ab5e408_71_La5Sb1S4 |
[
"Pr",
"Sc",
"Sm"
] | 13 | A8B3C2 | Pr8Sc3Sm2 | Pr8 Sm2 Sc3 | 3 | [
1,
1,
1
] | 3 | [
[
5.89261794,
0.30473543,
1.30531016
],
[
1.86233028,
8.52802458,
1.6857377
],
[
0.74443619,
-0.51685305,
8.84397129
]
] | agm005606189 | [
[
2.9133678062524924,
4.750525325954016,
6.4575648348450025
],
[
5.586016603747507,
3.5653816340459836,
5.377454315154997
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[
5.57113001974637,
1.3567695113731741,
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[
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[
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[
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[
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[
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2.9454067932836376,
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[
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[
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[
2.94630897,
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],
[
6.933997609465121,
2.1904511553554826,
8.24785732757826
],
[
1.5653868005348794,
6.125455804644517,
3.5871618224217405
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Sm",
"Sm",
"Sc",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.6153846153846154,
0.23076923076923078,
0.15384615384615385
] | [
[
0.85026354,
0.03148688,
0.05211264
],
[
0.03148713,
0.79582876,
0.0358561
],
[
0.05211296,
0.03585606,
0.82478744
]
] | -64.385972 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00049982,
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0.00009121
],
[
-0.00049982,
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],
[
-0.00286085,
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[
0.00286085,
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],
[
-0.00047448,
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],
[
-0.00064311,
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-0.00005192
],
[
0.00064311,
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],
[
0.00047448,
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],
[
0.0018304,
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[
-0.0018304,
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],
[
0,
0,
0
],
[
0.00026037,
0.00210668,
-0.00166725
],
[
-0.00026037,
-0.00210668,
0.00166725
]
] | -0.000012 | 19.800333 | pbe | true | 2383c661809b07fa31c1c81851dfa665_12_Pr8Sm2Sc3 |
[
"Ag",
"Au",
"In",
"K"
] | 8 | A4B2CD | AgAu2In4K | K1 In4 Ag1 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
4.70277438,
0,
0
],
[
2.35138719,
4.07272208,
0
],
[
2.35138718,
1.35757402,
11.08770243
]
] | agm004799309 | [
[
0,
0,
0
],
[
4.702774395640474,
2.715148061660141,
8.72979007895786
],
[
7.054161589591223,
4.0727220909606405,
4.349316706687756
],
[
2.3513871604087773,
1.357574009039359,
6.738385723312244
],
[
4.702774354359526,
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2.35791235104214
],
[
4.702774375,
2.71514805,
5.543851215
],
[
7.054161539644818,
4.072722061863386,
7.585440285876184
],
[
2.351387210355181,
1.357574038136613,
3.5022621441238155
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"K",
"In",
"In",
"In",
"In",
"Ag",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
5.5565634,
0,
0
],
[
0,
5.5565634,
0
],
[
0,
0,
5.4995594
]
] | -22.715467 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
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],
[
0,
0,
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],
[
0,
0,
0.00147527
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[
0,
0,
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],
[
0,
0,
0
],
[
0,
0,
0.00395818
],
[
0,
0,
-0.00395818
]
] | 0 | 3.62592 | pbe | true | 55daf75c993d80d1bb38506a643780a9_166_K1In4Ag1Au2 |
[
"Ir",
"Rh",
"Sc",
"Ti"
] | 4 | ABCD | IrRhScTi | Sc1 Ti1 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.48226123,
0,
0
],
[
2.24113061,
3.88175209,
0
],
[
2.24113061,
1.29391736,
3.65975097
]
] | agm001293531 | [
[
6.7233918375,
3.8817520875000002,
2.7448132275
],
[
4.482261225,
2.587834725,
1.829875485
],
[
0,
0,
0
],
[
2.2411306125,
1.2939173625,
0.9149377425
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Sc",
"Ir",
"Rh",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.967986,
0,
0
],
[
0,
6.967986,
0
],
[
0,
0,
6.967986
]
] | -34.010413 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000022 | 3.476476 | pbe | true | 0e4edfaf3aabce8af26aee702bb48b38_216_Sc1Ti1Ir1Rh1 |
[
"Pu",
"S",
"Sr",
"Y"
] | 8 | A4B2CD | PuS4Sr2Y | Sr2 Y1 Pu1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
4.07442844,
0,
0
],
[
0,
7.05670998,
0.1162755
],
[
0,
-2.47290837,
6.75122825
]
] | agm004816401 | [
[
2.03721422,
-1.236454185,
3.375614125
],
[
0,
2.291900805,
3.433751875
],
[
2.03721422,
3.52835499,
0.05813775
],
[
0,
0,
0
],
[
2.03721422,
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],
[
2.03721422,
3.4163607646142413,
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],
[
0,
-0.06549654385123145,
5.225045626959812
],
[
0,
4.649298153851232,
1.6424581230401873
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Sr",
"Sr",
"Y",
"Pu",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.25,
0.125
] | [
[
0.15239479,
0,
0
],
[
0,
0.20831716,
0.01052277
],
[
0,
0.01052271,
0.1667777
]
] | -56.377218 | [
0.019,
0.022,
0.069,
5.401,
-0.05,
-0.05,
-0.019,
-0.019
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.0003067,
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],
[
0,
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0.00420235
],
[
0,
-0.00166509,
0.00141699
],
[
0,
0.00166509,
-0.00141699
]
] | 5.910353 | 11.815702 | pbe | true | 91ffad159879db06184c09106de1724a_10_Sr2Y1Pu1S4 |
[
"C",
"Th"
] | 5 | A4B | CTh4 | Th4 C1 | 2 | [
1,
1,
1
] | 3 | [
[
5.16927275,
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] | -0.000005 | 5.838786 | pbe | true | c71b3293c9da13c6708c186fa421ecb8_221_Th4C1 |
[
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1,
1
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] | 0.005141 | 20.080067 | pbe | true | 1e9b9c45cdd2db3f547ea6531efacf54_83_V8Rh8 |
[
"Ac",
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1,
1,
1
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"Au",
"Au",
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] | 0 | 3.983228 | pbe | true | 34ecd64e39c152ad33830e806a7b6aab_12_Ac2Sn1Au8 |
[
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"F",
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1,
1,
1
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0,
0
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[
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[
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"I",
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] | 0 | -0.076917 | pbe | true | ac763ef16983ca11ac50b0f4089d916a_5_Ag2I4F2 |
[
"Al",
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] | 17 | A12B4C | Al12Co4Nd | Nd1 Al12 Co4 | 3 | [
1,
1,
1
] | 3 | [
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"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
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"Co",
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] | 2023-11-16 06:57:59 | [
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] | 1.30436 | 8.061665 | pbe | true | 26c58ae026f7e2a2628095f79a21b082_229_Nd1Al12Co4 |
[
"C",
"Hg",
"In"
] | 5 | A3BC | CHgIn3 | In3 Hg1 C1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.56122253,
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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": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
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[
0,
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[
0,
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] | 2.132098 | 2.181628 | pbe | true | c89fa0f000f4cdd7da56b711d8c66182_221_In3Hg1C1 |
[
"Cd",
"Rb",
"Tl"
] | 18 | A6B2C | Cd2RbTl6 | Rb2 Tl12 Cd4 | 3 | [
1,
1,
1
] | 3 | [
[
9.97835315,
0,
0
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[
4.98917657,
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
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"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Cd",
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"Cd",
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] | 2023-11-16 06:57:59 | [
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],
[
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] | -30.747361 | [
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0,
0,
0,
0,
0,
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] | [
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[
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0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.000015 | 12.439285 | pbe | true | 7f6fdd2041961e26f079d4e6df53567b_227_Rb2Tl12Cd4 |
[
"Ce",
"P",
"Se"
] | 4 | A2BC | Ce2PSe | Ce2 P1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.05204512,
0,
0
],
[
2.02602256,
3.50917401,
0
],
[
2.02602256,
1.16972467,
7.24285221
]
] | agm005111547 | [
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2.02602256,
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[
2.0260225802602254,
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[
4.052045140260225,
2.339449351697247,
3.658324091298624
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ce",
"Ce",
"P",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.353164,
0,
0
],
[
0,
2.353164,
0
],
[
0,
0,
2.3554978
]
] | -27.149121 | [
0.705,
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] | [
[
0,
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[
0,
0,
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],
[
0,
0,
-0.00718812
],
[
0,
0,
0.00583939
]
] | 1.78599 | 11.270667 | pbe | true | f20375c63c8d6881864aaac70898db66_160_Ce2P1Se1 |
[
"Co",
"Sc",
"Zr"
] | 10 | A5B4C | Co5Sc4Zr | Zr1 Sc4 Co5 | 3 | [
1,
1,
1
] | 3 | [
[
3.14655783,
0,
0
],
[
0,
3.14655783,
0
],
[
0,
0,
15.66688656
]
] | agm003647523 | [
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10.96453604660182
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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": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Zr",
"Sc",
"Sc",
"Sc",
"Sc",
"Co",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
4.096411,
0,
0
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[
0,
4.096411,
0
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[
0,
0,
4.1239095
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] | -72.97275 | [
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-0.144,
0.592,
0.616,
0.566,
0.616,
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[
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[
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[
0,
0,
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[
0,
0,
0.00287399
]
] | 1.746989 | 3.230361 | pbe | true | 6d3ce102fcc9ba78eb45e42299abc6b7_123_Zr1Sc4Co5 |
[
"Cs",
"Ga",
"Ru"
] | 4 | A2BC | CsGaRu2 | Cs1 Ga1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.32702588,
3.32702588
],
[
3.32702588,
0,
3.32702588
],
[
3.32702588,
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0
]
] | agm002677795 | [
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3.32702588
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[
1.66351294,
1.66351294,
1.66351294
],
[
4.990538819999999,
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[
0,
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0
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Ru",
"Ru",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5283244,
0,
0
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[
0,
3.5283244,
0
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[
0,
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] | -17.170109 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.001799 | 6.127238 | pbe | true | d51f9a58376dd6dcbfe83addc7249462_225_Cs1Ga1Ru2 |
[
"Cu",
"Hf",
"Ta"
] | 4 | A2BC | Cu2HfTa | Hf1 Ta1 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
3.78253177,
0,
0
],
[
0,
4.10631667,
0
],
[
0,
0,
4.10631667
]
] | agm001203076 | [
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[
0,
0,
2.053158335
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[
0,
2.053158335,
0
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[
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0
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Hf",
"Cu",
"Cu",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
-4.2865252,
0
],
[
0,
0,
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]
] | -29.723375 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000001 | 5.053134 | pbe | true | 2a78960dfb6044a18a61b1b85c0f497f_123_Hf1Ta1Cu2 |
[
"Er",
"Pr",
"Sc"
] | 13 | A8B3C2 | Er3Pr8Sc2 | Pr8 Er3 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
5.94958314,
0.26429687,
1.26310714
],
[
1.86574666,
8.46508834,
1.44621697
],
[
0.72871898,
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8.72694682
]
] | agm005606421 | [
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2.6959175533071336,
4.37230276314646,
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[
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3.445013855425417
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[
5.693966068505299,
5.620641382772373,
7.991257074574582
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
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"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Er",
"Er",
"Er",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.23076923076923078,
0.6153846153846154,
0.15384615384615385
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[
0.00690922,
0.83470345,
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[
0.00268507,
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] | -62.4472 | [
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0,
0,
0,
0,
0,
0,
0,
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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[
-0.00025286,
0.00043551,
0.00051081
],
[
0.00025286,
-0.00043551,
-0.00051081
]
] | 0.000091 | 20.506306 | pbe | true | f323207403dfaeccef7f28c52a79fb85_12_Pr8Er3Sc2 |
[
"Er",
"Sc",
"Th"
] | 18 | A5B3C | Er3ScTh5 | Er6 Th10 Sc2 | 3 | [
1,
1,
1
] | 3 | [
[
9.16369622,
0,
0
],
[
0,
9.16369622,
0
],
[
-4.58184811,
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] | agm003566535 | [
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[
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[
4.581848110000001,
0,
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[
0,
4.581848110000001,
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Er",
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"Er",
"Er",
"Er",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.1111111111111111,
0.5555555555555556
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[
0.70294535,
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0
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[
0,
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0
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[
0,
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] | -106.147978 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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0
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[
0.00091326,
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[
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[
0,
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[
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[
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[
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.001246 | 34.985897 | pbe | true | 01be38f6c24f1c3174d70a3e9c35e566_140_Er6Th10Sc2 |
[
"Ga",
"Mo",
"Sn"
] | 4 | A2BC | GaMo2Sn | Ga1 Sn1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.23137627,
3.23137627
],
[
3.23137627,
0,
3.23137627
],
[
3.23137627,
3.23137627,
0
]
] | agm002677514 | [
[
1.615688135,
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1.615688135
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[
4.847064405,
4.847064405,
4.847064405
],
[
3.23137627,
3.23137627,
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[
0,
0,
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] | [{"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"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mo",
"Mo",
"Sn",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.4429526,
0,
0
],
[
0,
5.4429526,
0
],
[
0,
0,
5.4429526
]
] | -27.417368 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.881084 | pbe | true | 1fd62f994abba31579324ae398d39560_225_Ga1Sn1Mo2 |
[
"Hf",
"Te",
"V"
] | 4 | A2BC | HfTe2V | Hf1 V1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.47189598,
3.47189598
],
[
3.47189598,
0,
3.47189598
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[
3.47189598,
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0
]
] | agm002749477 | [
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[
5.207843970000001,
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[
3.47189598,
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[
0,
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Te",
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"Hf",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.4134996,
0,
0
],
[
0,
1.4134996,
0
],
[
0,
0,
1.4134996
]
] | -25.924887 | [
-0.058,
-0.058,
-0.195,
1.624
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.397658 | 5.083304 | pbe | true | df313057f9101dc22c7b55733e4bce6a_225_Hf1V1Te2 |
[
"Ho",
"In",
"Pr"
] | 8 | A5B2C | Ho2InPr5 | Pr5 Ho2 In1 | 3 | [
1,
1,
1
] | 3 | [
[
7.61303211,
-0.00177571,
-0.00085438
],
[
-0.00160192,
7.61305281,
-0.00040036
],
[
-3.80585849,
-3.80561925,
4.47517581
]
] | agm003467087 | [
[
1.7254985926265927,
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4.189686988703773
],
[
-1.7257414659273982,
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[
1.7256296539153384,
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4.190680680637099
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[
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[
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[
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1.9631610023383648
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[
0.00007883238513148028,
0.000851927714535956,
1.7167804121943797
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Ho",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.625
] | [
[
0.7910341,
0.02779077,
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],
[
0.02779077,
0.79103714,
-0.00004185
],
[
-0.00011168,
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0.6687767
]
] | -36.329224 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00088666,
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[
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],
[
0.0008901,
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],
[
-0.00088657,
0.00088663,
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[
1.6e-7,
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[
-1.1e-7,
2e-8,
0.00349183
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[
-1.1e-7,
2e-8,
0.00349183
],
[
-1.1e-7,
1e-8,
0.00344673
]
] | -0.000001 | 8.844252 | pbe | true | 10842da3a2a5f3ac47edec8d32d6a16d_107_Pr5Ho2In1 |
[
"Ir",
"Se",
"Zn"
] | 5 | A3BC | Ir3SeZn | Zn1 Ir3 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.57766126,
0,
0
],
[
0,
4.57766126,
0
],
[
0,
0,
4.57766126
]
] | agm002628436 | [
[
2.28883063,
2.28883063,
2.28883063
],
[
0,
2.28883063,
0
],
[
0,
0,
2.28883063
],
[
2.28883063,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Ir",
"Ir",
"Ir",
"Se"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.4118805,
0,
0
],
[
0,
2.4118805,
0
],
[
0,
0,
2.4118805
]
] | -25.403791 | [
0,
0.001,
-0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.721761 | pbe | true | ed7d1c8f72fb9ca844073c9c63e23402_221_Zn1Ir3Se1 |
[
"La",
"Pb",
"Pm"
] | 4 | A2BC | LaPb2Pm | La1 Pm1 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.44845276,
0,
-1.61805302
],
[
0,
4.55747994,
0
],
[
-0.15609552,
0,
6.47905953
]
] | agm005615853 | [
[
1.9335866618387212,
2.27873997,
2.1074799115148943
],
[
3.0238661697779827,
0,
5.115706956820507
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0.6533935207314329,
2.27873997,
5.522612331008324
],
[
4.318619699756344,
0,
1.7405154456358047
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"La",
"Pm",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.2058136,
0,
0.01992994
],
[
0,
3.2524889,
0
],
[
0.0199298,
0,
3.276379
]
] | -19.404594 | [
0,
0,
0,
0
] | [
[
0.00005558,
0,
0.0019749
],
[
-0.00002694,
0,
-0.00164218
],
[
-0.00062354,
0,
-0.00446253
],
[
0.0005949,
0,
0.00412981
]
] | -0.000001 | 3.59764 | pbe | true | bda15f03650351d3aa34d87a3e734ff6_6_La1Pm1Pb2 |
[
"Au",
"P",
"Tc"
] | 4 | A2BC | AuPTc2 | Tc2 P1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
1.51908127,
-2.39932478,
0
],
[
1.51908127,
2.39932478,
0
],
[
0,
0,
8.36026739
]
] | agm004062923 | [
[
0,
0,
1.7373901380902848
],
[
0,
0,
6.622877251909716
],
[
1.51908127,
0,
0
],
[
1.51908127,
0,
4.180133695
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"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"]}] | [
"Tc",
"Tc",
"P",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.7317486,
0,
0
],
[
0,
5.192578,
0
],
[
0,
0,
5.889564
]
] | -28.556824 | [
0,
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.00070036
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.78509 | pbe | true | dee423d3e06cd28b71dd365e59aa36d6_65_Tc2P1Au1 |
[
"C",
"La",
"Ni"
] | 108 | A22B3C2 | C3La2Ni22 | C12 La8 Ni88 | 3 | [
1,
1,
1
] | 3 | [
[
9.42695848,
0.0215702,
0
],
[
-2.55573737,
9.0739306,
0
],
[
0,
0,
14.70240261
]
] | mp-573282 | [
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] | [{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
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] | 2014-02-23 10:50:11 | [
0.1111111111111111,
0.07407407407407407,
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] | [] | 0 | 8.332785 | pbe | true | 782fdeccc57a3931b26fc13c347ee762_64_La8Ni88C12 |
[
"Br",
"Fe",
"Hg"
] | 6 | A4BC | Br4FeHg | Fe1 Hg1 Br4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.45958734,
4.45958734
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[
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0,
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4.45958734,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"Fe",
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"Br",
"Br"
] | 2023-11-16 06:57:59 | [
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] | -10.296704 | [
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[
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] | 2.69828 | 13.086628 | pbe | true | c0b61da7c03dd79fdfcbbc26532fb29b_216_Fe1Hg1Br4 |
[
"Br",
"Gd",
"Pm"
] | 3 | ABC | BrGdPm | Pm1 Gd1 Br1 | 3 | [
1,
1,
1
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[
3.797848,
0,
0
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[
-1.898924,
3.28903285,
0
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[
0,
0,
7.40890411
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] | agm001278144 | [
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"Gd",
"Br",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
0,
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[
0,
0,
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] | 7.590244 | 3.53031 | pbe | true | b93d599f6f234b251e93b307613c1ba8_156_Pm1Gd1Br1 |
[
"Cl",
"O",
"Zn"
] | 5 | A2B2C | Cl2O2Zn | Zn1 Cl2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
3.5889608,
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-0.00000162
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[
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"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"]}] | [
"Zn",
"Cl",
"Cl",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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0.2
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[
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[
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[
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[
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[
0,
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] | 1.999999 | 0 | pbe | true | ccd96e8286bf9debf9cebfbc53fb201a_12_Zn1Cl2O2 |
[
"Cs",
"V",
"W"
] | 5 | A3BC | CsV3W | Cs1 V3 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65853183,
0,
0
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[
0,
4.65853183,
0
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[
0,
0,
4.65853183
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[
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"W",
"V",
"V",
"V"
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0.2,
0.6,
0.2
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[
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0
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[
0,
2.8250248,
0
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[
0,
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] | -26.011207 | [
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.161837 | 9.69697 | pbe | true | 85612aa9c7d1a6c07d806dd5c50ec706_221_Cs1V3W1 |
[
"Hf",
"Si",
"Tc"
] | 17 | A7B6C4 | Hf4Si6Tc7 | Hf4 Si6 Tc7 | 3 | [
1,
1,
1
] | 3 | [
[
6.61065802,
0,
-2.33722032
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[
-3.30532951,
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[
0,
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
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"Si",
"Si",
"Si",
"Si",
"Si",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.23529411764705882,
0.35294117647058826,
0.4117647058823529
] | [
[
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2.5e-7
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[
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4.944048,
4.3e-7
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[
2.5e-7,
4.3e-7,
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] | -155.001485 | [
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[
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[
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | -0.000046 | 13.135076 | pbe | true | 2f37c5f8ca95afb0927416966ffb8e49_229_Hf4Si6Tc7 |
[
"Ho",
"Tm",
"Zr"
] | 12 | A7B4C | Ho4Tm7Zr | Ho4 Tm7 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
5.65308365,
0,
0
],
[
2.82654183,
11.18890634,
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],
[
2.82654183,
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] | agm003669388 | [
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0
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[
5.653083653672504,
5.763138809319701,
1.053265280591382
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[
0,
0,
0
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ho",
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"Ho",
"Ho",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Zr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5833333333333334,
0.08333333333333333
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[
0.6476631,
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0
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[
0,
0.61860204,
0.04482997
],
[
0,
0.0448299,
0.766708
]
] | -54.501584 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
0,
0
],
[
0,
0.0006961,
0.00045385
],
[
0,
0,
0
]
] | 0.000452 | 19.616781 | pbe | true | 311080a751ec9f97bff3f2a206cc5589_12_Ho4Tm7Zr1 |
[
"Ir",
"Mg",
"Pb"
] | 4 | A2BC | IrMgPb2 | Mg1 Ir1 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
7.22469461,
1.67174515,
0.01348792
],
[
4.06036728,
6.20518827,
-0.01348815
],
[
-5.1286984,
-4.67461954,
2.61448037
]
] | agm003793852 | [
[
2.2870999125,
2.7345177199999995,
1.3004960525
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[
3.8692635775000004,
0.4677961599999998,
1.3139840875
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[
0.8737363245306435,
0.609864874650093,
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],
[
-0.3599037795306437,
-1.3460177046500932,
2.6144802728075542
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Mg",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.7889695,
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0.03075103
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[
0.06326364,
4.7424912,
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[
0.03075103,
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4.6620235
]
] | -17.875216 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0.00381002,
0.00265938,
0
],
[
-0.00381002,
-0.00265938,
0
]
] | -0.000193 | 1.79263 | pbe | true | 78d75bee0ac4383a97ff182ab667e2e8_71_Mg1Ir1Pb2 |
[
"As",
"Hg",
"S"
] | 10 | A2B2C | As2HgS2 | Hg2 As4 S4 | 3 | [
1,
1,
1
] | 3 | [
[
8.48916449,
0,
0
],
[
0,
8.48916449,
0
],
[
0,
0,
3.37559379
]
] | agm003011256 | [
[
1.1766324096468948,
5.421214654646895,
1.687796895
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[
5.421214654646895,
7.3125320803531055,
1.687796895
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[
7.3125320803531055,
3.0679498353531054,
1.687796895
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[
3.0679498353531054,
1.1766324096468948,
1.687796895
],
[
2.2827896433139974,
6.527371888313998,
0
],
[
6.527371888313998,
6.2063748466860025,
0
],
[
6.2063748466860025,
1.9617926016860028,
0
],
[
1.9617926016860028,
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0
],
[
0,
0,
0
],
[
4.244582245,
4.244582245,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}] | [
"S",
"S",
"S",
"S",
"As",
"As",
"As",
"As",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.1405362,
0,
0
],
[
0,
1.1405362,
0
],
[
0,
0,
0.36241573
]
] | -34.982092 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
-0.01501893,
0.01501893,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.487029 | pbe | true | d7cf55a363cabee2e1e3af4b05ca27ce_127_Hg2As4S4 |
[
"Br",
"Er",
"Pt"
] | 4 | A2BC | BrEr2Pt | Er2 Pt1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
4.07014303,
0,
0
],
[
2.03507151,
3.52484726,
0
],
[
2.03507151,
1.17494909,
7.67551216
]
] | agm005104640 | [
[
2.035071530994451,
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[
2.035071492368567,
1.1749490755312266,
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3.5248461001239915,
7.653070420791471
],
[
4.070143004609856,
2.349898163289937,
3.9285448010128574
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"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"]}] | [
"Er",
"Er",
"Pt",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
0.94071114,
0
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[
0,
0,
1.1231158
]
] | -21.759273 | [
0,
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] | [
[
0,
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[
0,
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],
[
0,
0,
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[
0,
0,
0.0026736
]
] | -0.000003 | 2.680034 | pbe | true | 5a70dafcbf37749ef1c5685dd8b79209_160_Er2Pt1Br1 |
[
"Cd",
"Co",
"In"
] | 6 | ABC | CdCoIn | Cd2 In2 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
5.43892536,
0.16124204,
0
],
[
-2.4631172,
4.8519029,
0
],
[
-1.48790408,
-2.50657247,
4.39400725
]
] | agm001020850 | [
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0
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0
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[
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],
[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"In",
"In",
"Cd",
"Cd",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0
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[
0.08706747,
5.834947,
0
],
[
0,
0,
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]
] | -21.095293 | [
0,
0,
0,
0,
-0.001,
-0.001
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[
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0
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[
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[
0,
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[
0,
0,
0.00200761
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.001142 | 3.564767 | pbe | true | 9e4049856da178e4bba38d75c91fc3ba_69_Cd2In2Co2 |
[
"Cd",
"Hg",
"Na"
] | 16 | A3B3C2 | Cd2Hg3Na3 | Na6 Cd4 Hg6 | 3 | [
1,
1,
1
] | 3 | [
[
4.89358912,
0,
0
],
[
-2.44679456,
5.73724061,
0
],
[
0,
0,
15.50172089
]
] | agm003326876 | [
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[
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[
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3.8754302225
],
[
2.44679456,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
3.4070685,
0,
0
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[
0,
4.6026015,
0
],
[
0,
0,
3.9729898
]
] | -16.099334 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
0,
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[
0,
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[
0,
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[
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[
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[
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[
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[
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[
0,
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[
0,
0.01397013,
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],
[
0,
-0.00422951,
0
],
[
0,
0.00422951,
0
]
] | -0.000008 | 6.964439 | pbe | true | 4db6bf0cb015937f111e7ffe60fb5249_63_Na6Cd4Hg6 |
[
"Cl",
"Rh",
"Zr"
] | 8 | A6BC | Cl6RhZr | Zr1 Rh1 Cl6 | 3 | [
1,
1,
1
] | 3 | [
[
6.22331991,
0,
0
],
[
-3.11166006,
5.38955308,
0
],
[
0,
0,
17.89000895
]
] | agm2000144308 | [
[
3.111659850000002,
5.389552972208938,
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[
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3.5930353507363124,
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[
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2.0077428157713055,
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10.39000894300573
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[
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10.39000894300573
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[
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[
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[
1.069627405408269,
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] | [{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Zr",
"Rh",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
0.24991494,
-1e-8,
0
],
[
-1e-8,
0.24991493,
0
],
[
0,
0,
-0.3587021
]
] | -36.589427 | [
0.041,
0.685,
0.029,
0.029,
0.029,
0.029,
0.029,
0.029
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
-0.00286602,
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[
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[
0.00867535,
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[
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],
[
0.00580933,
0.00666341,
0.00549246
],
[
0.00286602,
-0.00836273,
0.00549246
]
] | 1.000877 | 6.674626 | pbe | true | 0ec9e3197ed2318bed78720deb030835_149_Zr1Rh1Cl6 |
[
"Hg",
"Os",
"Ta"
] | 6 | A4BC | HgOs4Ta | Ta1 Hg1 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.67643353,
3.67643353
],
[
3.67643353,
0,
3.67643353
],
[
3.67643353,
3.67643353,
0
]
] | agm005476774 | [
[
5.514650295,
5.514650295,
5.514650295
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[
0,
0,
0
],
[
2.756358466067622,
4.596508593932378,
4.596508593932378
],
[
4.596508593932378,
4.596508593932378,
2.756358466067622
],
[
4.596508593932378,
2.756358466067622,
4.596508593932378
],
[
2.756358466067622,
2.756358466067622,
2.756358466067622
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Ta",
"Hg",
"Os",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
12.152607,
0,
0
],
[
0,
12.152607,
0
],
[
0,
0,
12.152607
]
] | -54.193526 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
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[
0.00004513,
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[
0.00004513,
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0.00004513
],
[
-0.00004513,
-0.00004513,
-0.00004513
]
] | -0.000088 | 7.653106 | pbe | true | adb29c328a080d5201342a09fc5f2ab3_216_Ta1Hg1Os4 |
[
"Ir",
"Pt",
"Tl"
] | 3 | ABC | IrPtTl | Tl1 Ir1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.444272,
0,
0
],
[
2.222136,
3.84885245,
0
],
[
2.222136,
1.28295082,
3.62873289
]
] | agm004238860 | [
[
2.222136,
1.2829508175,
0.9071832225
],
[
0,
0,
0
],
[
4.444272,
2.565901635,
1.814366445
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Ir",
"Pt",
"Tl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.1939282,
0,
0
],
[
0,
6.1939282,
0
],
[
0,
0,
6.1939282
]
] | -15.841296 | [
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001015 | 5.819182 | pbe | true | 60c2d158a8e7c3ba98a62d29856c37fa_216_Tl1Ir1Pt1 |
[
"Li",
"Mg",
"Si"
] | 3 | ABC | LiMgSi | Li1 Mg1 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
6.73703706,
0.0539844,
-0.05512996
],
[
6.12024236,
2.81699641,
-0.01582932
],
[
0.61680204,
0.09818064,
2.76154487
]
] | agm004176259 | [
[
0.8104125472410763,
0.1420423485294852,
2.716746085307455
],
[
4.56251539443334,
0.9919788734965119,
1.8484756014692403
],
[
8.717955558325583,
1.9333208679740026,
0.8869087732233043
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Li",
"Mg",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.21926036,
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[
0.04802556,
0.07606171,
0.02093415
],
[
-0.03764365,
0.02093791,
0.06999937
]
] | -9.008084 | [
0,
0,
0
] | [
[
-0.00846466,
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0.00295745
],
[
0.01214381,
0.00095451,
-0.00456864
],
[
-0.00367916,
-0.00005724,
0.00161119
]
] | 0 | 0.950285 | pbe | true | a73cf587da4f1708955999f38dce8a4d_107_Li1Mg1Si1 |
[
"Mg",
"Sr",
"Zn"
] | 13 | A10B2C | Mg10SrZn2 | Sr1 Mg10 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
5.85283645,
0,
0
],
[
2.92641823,
7.21009082,
0
],
[
2.92641822,
0,
7.15905313
]
] | agm003386313 | [
[
0,
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0
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[
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[
5.852836479384628,
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[
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[
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[
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[
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