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[
"Pd",
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] | 12 | AB | PdSe | Pd6 Se6 | 2 | [
1,
1,
1
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[
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1,
1
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] | 0 | 0.441583 | pbe | true | b39c22007c8665a773743a28ed1e2df7_225_Mg1Tl2S1 |
[
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] | 12 | A6B5C | NdPu5Te6 | Nd1 Pu5 Te6 | 3 | [
1,
1,
1
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0.18994939,
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] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Nd",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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0.5
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] | -108.807574 | [
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0.000359,
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] | -17.421566 | 61.51984 | pbe | true | 13334d40fd2f2a4db1929163dc569ecc_12_Nd1Pu5Te6 |
[
"B",
"Cd",
"Ir",
"W"
] | 5 | A2BCD | B2CdIrW | Cd1 B2 Ir1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.04548841,
0,
0
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[
0,
5.27786971,
0
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[
0,
0,
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] | agm001503129 | [
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"B",
"Ir",
"W",
"Cd"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
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4.84225,
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0
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[
0,
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0
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[
0,
0,
4.84225
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] | -28.460839 | [
-0.038,
0.012,
0.193,
2.314,
0.01
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 3.133327 | 2.706626 | pbe | true | 45f37aab6b23a8f400279e71f7b38fa5_123_Cd1B2Ir1W1 |
[
"C",
"Ca",
"Co",
"Cu"
] | 5 | A2BCD | CCa2CoCu | Ca2 Co1 Cu1 C1 | 4 | [
1,
1,
1
] | 3 | [
[
5.08204928,
0,
0
],
[
0,
5.08204928,
0
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[
0,
0,
3.59514881
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] | agm001613138 | [
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0,
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0
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"Ca",
"Ca",
"Co",
"C",
"Cu"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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0,
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0,
0,
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] | -24.418131 | [
0,
0,
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0
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.361148 | pbe | true | 271a8f044f12bb1c4ed076046623ee29_123_Ca2Co1Cu1C1 |
[
"Au",
"Pd",
"Th"
] | 9 | A4B3C2 | Au4Pd2Th3 | Th3 Pd2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
4.52382953,
0,
1.20677209
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[
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[
0.17481863,
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] | agm005612981 | [
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"Th",
"Th",
"Th",
"Pd",
"Pd",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
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] | -0 | 7.45949 | pbe | true | 289d39ac1b2cb9670e623713f4fab82e_12_Th3Pd2Au4 |
[
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"Zr"
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1,
1,
1
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3.39492315,
0,
0
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0,
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0,
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"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
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] | -97.25886 | [
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0,
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[
0,
0.00016999,
0.00346731
]
] | 1.591823 | 5.441721 | pbe | true | 32c0ff6a0977d9c9ea9087f7bd689ed9_11_Ac2Zr2Ni2N6 |
[
"B",
"Ni",
"Tl"
] | 9 | A6B2C | BNi6Tl2 | Tl2 Ni6 B1 | 3 | [
1,
1,
1
] | 3 | [
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5.45762246,
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] | agm002362000 | [
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"Ni",
"Ni",
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] | 2023-11-16 06:57:59 | [
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] | -0.000001 | 4.476419 | pbe | true | 86b87f6c38f6f5097b60bf44ba962caa_225_Tl2Ni6B1 |
[
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1,
1,
1
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"Ga",
"Ga",
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"I",
"I",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 9.035461 | pbe | true | 83a9ebe5b82cdd4324e19af91de75a48_166_Sm8Ga3Tc1I4 |
[
"Co",
"Ge",
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1,
1,
1
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0
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"Pa",
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] | 0.000368 | 6.042612 | pbe | true | e18db7fb8fd4acf870d55f3cf278ed30_71_Pa2Co2Ge1 |
[
"B",
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"O",
"Rb"
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1,
1,
1
] | 3 | [
[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
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"B",
"O",
"O",
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] | 1.031446 | -0.201424 | pbe | true | 25e9c625b710fcf4aae4e05d988c7f53_1_Rb1Np1B1O6 |
[
"Ba",
"S",
"Tl",
"W"
] | 5 | A2BCD | BaS2TlW | Ba1 Tl1 W1 S2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"S",
"S",
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"Ba",
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[
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] | 6.617835 | 4.846563 | pbe | true | 9629aa40b9335733f9fb8dd6efd19d93_123_Ba1Tl1W1S2 |
[
"F",
"Ni",
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] | 4 | A2BC | FNiS2 | Ni1 S2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.91535858,
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[
2.91535858,
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Ni",
"S",
"S",
"F"
] | 2023-11-16 06:57:59 | [
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[
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] | -11.477262 | [
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[
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[
0,
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] | 1.074664 | 1.921112 | pbe | true | 4badb2010e320f3944e0f99e324e26a8_225_Ni1S2F1 |
[
"Ag",
"Ce",
"Cl"
] | 11 | A8B2C | AgCe2Cl8 | Ce2 Ag1 Cl8 | 3 | [
1,
1,
1
] | 3 | [
[
7.36230699,
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0
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[
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[
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ce",
"Ce",
"Ag",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
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] | 1.028655 | 10.34616 | pbe | true | efc16bbf228f2347697aa44b3ab7e76b_147_Ce2Ag1Cl8 |
[
"Hf",
"Mg",
"Sb"
] | 9 | A6B2C | Hf6MgSb2 | Hf6 Mg1 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
7.662994905,
0,
0
],
[
-3.831497452,
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0
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[
0,
0,
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] | oqmd-9935382 | [
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
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"Hf",
"Hf",
"Hf",
"Hf",
"Mg",
"Sb",
"Sb"
] | 2024-11-01 00:00:00 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
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] | 0.001522 | null | pbe | true | 093c6f7a01037cae367b5866c460d2c1_189_Hf6Mg1Sb2 |
[
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1,
1,
1
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"Ho",
"Ho",
"Ho",
"Hg",
"Hg",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
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[
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] | -0 | 4.122479 | pbe | true | 77e3b3d15f3da7c103cc7e235dd8a35c_12_Ho3Hg2Pb2 |
[
"Hf",
"Mg",
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"V"
] | 5 | A2BCD | Hf2MgOsV | Hf2 Mg1 V1 Os1 | 4 | [
1,
1,
1
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0,
0
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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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Hf",
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[
0,
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] | 1.807002 | 6.239201 | pbe | true | 1b678dc2cf73c20b75f2c6c776ddfa50_123_Hf2Mg1V1Os1 |
[
"Ag",
"Li",
"Na",
"Si"
] | 4 | ABCD | AgLiNaSi | Na1 Li1 Si1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.29752721,
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0
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[
2.29752721,
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"Na",
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"Ag",
"Li"
] | 2023-11-16 06:57:59 | [
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0.25,
0.25
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[
0,
2.4971056,
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[
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[
0,
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[
0,
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[
0,
0,
0
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] | -0.000063 | 2.548175 | pbe | true | 43461626c199f08da649d4d1c97565a9_216_Na1Li1Si1Ag1 |
[
"Al",
"Li",
"O",
"Pm"
] | 5 | A2BCD | AlLiOPm2 | Li1 Pm2 Al1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.17678019,
0,
0
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[
0,
4.936224,
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[
0,
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"Li",
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"Al",
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[
0,
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[
0,
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] | -0.000021 | 1.921683 | pbe | true | 3458df7bbb03d6e59de7f69b471221e6_123_Li1Pm2Al1O1 |
[
"In",
"K",
"Te",
"Y"
] | 16 | A8B4C3D | InK4Te8Y3 | K4 Y3 In1 Te8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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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": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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"In",
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"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
0.0625,
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[
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] | 0 | 1.987878 | pbe | true | e9b3afcee718f01915ef5b2deef3b40c_166_K4Y3In1Te8 |
[
"Ir",
"Rh",
"Sn",
"Ti"
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ir",
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"Sn",
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0.2
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[
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[
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] | 0.979437 | 7.773981 | pbe | true | ad851120f9b1bba89892adcba8a1f657_123_Ti1Sn1Ir2Rh1 |
[
"Mg",
"Pa",
"Rh",
"Zn"
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1,
1,
1
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0,
0
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[
2.3847291,
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"Zn",
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0.25
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[
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] | 0.000038 | 4.93899 | pbe | true | ae2f128ef9d1ed1da212ff65e4a38881_216_Mg1Pa1Zn1Rh1 |
[
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1,
1,
1
] | 3 | [
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[
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] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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] | 2023-11-16 06:57:59 | [
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] | -0.000002 | 25.521807 | pbe | true | 2b9b1028845d382e6b3d413d262e8a1d_38_Ac3Pm13 |
[
"Er",
"La",
"Y"
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1,
1,
1
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[
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"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
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] | 0.000004 | 34.452717 | pbe | true | 0031c0716bcb6d97d31b215b8206c948_15_La6Y4Er10 |
[
"Ce",
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1,
1,
1
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[
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0
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[
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[
0,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Ce",
"Zr",
"U",
"U",
"N",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
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] | 2.181255 | 10.697516 | pbe | true | 3e7914000e7588c0ef0b9e4db92acedb_10_Ce1Zr1U2N4 |
[
"Co",
"Nb",
"V",
"W"
] | 4 | ABCD | CoNbVW | Nb1 V1 Co1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.36909391,
0,
0
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[
2.18454696,
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[
2.18454696,
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"Nb",
"Co",
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0.25,
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0.25
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[
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[
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] | -39.149617 | [
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0.178
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[
0,
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[
0,
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] | 1.057608 | 3.058561 | pbe | true | 30d325cfbb2ed78b9c337d5c4e44f23f_216_Nb1V1Co1W1 |
[
"Ca",
"H",
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"Rh"
] | 10 | A2BCD | CaHPRh2 | Ca2 P2 H2 Rh4 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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0
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[
0,
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"Ca",
"Ca",
"P",
"P",
"H",
"H",
"Rh",
"Rh",
"Rh",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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[
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[
0,
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] | -0.000001 | 5.334192 | pbe | true | 6bef273802bd874b0584ee7aa4c591e7_63_Ca2P2H2Rh4 |
[
"Co",
"Fe",
"N",
"S"
] | 5 | A2BCD | CoFeNS2 | Fe1 Co1 S2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.61069669,
0,
0
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[
0,
4.61069669,
0
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[
0,
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0,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"S",
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"Co",
"Fe",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.4
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[
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[
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[
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[
0,
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[
0,
0,
0
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] | 1.75066 | 5.234144 | pbe | true | 8556400afa961f29276eac45ef89ccf8_123_Fe1Co1S2N1 |
[
"Gd",
"Tb",
"Zr"
] | 4 | A2BC | Gd2TbZr | Tb1 Gd2 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
5.52365482,
0,
0
],
[
2.76182741,
4.78362539,
0
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[
2.76182741,
1.5945418,
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] | agm001101737 | [
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Gd",
"Gd",
"Tb",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
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[
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] | -40.60816 | [
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[
0,
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[
0,
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] | 16.838272 | 5.266549 | pbe | true | 98390ad1a760da08b969005765024634_225_Tb1Gd2Zr1 |
[
"Ho",
"Nd",
"Pm"
] | 6 | A4BC | HoNdPm4 | Pm4 Nd1 Ho1 | 3 | [
1,
1,
1
] | 3 | [
[
3.65216734,
0,
0
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[
0,
4.92309451,
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[
0,
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[
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] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Nd",
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] | 2023-11-16 06:57:59 | [
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[
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] | -28.37336 | [
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[
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[
0,
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[
0,
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] | 0 | 8.507486 | pbe | true | 0d456df85f8420fc118b715e8a755ef2_10_Pm4Nd1Ho1 |
[
"F",
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] | 32 | A5B2C | F5K2Pm | K8 Pm4 F20 | 3 | [
1,
1,
1
] | 3 | [
[
6.74179655,
0,
0
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[
0,
7.53969119,
0
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[
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] | agm005892357 | [
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] | 0.72753 | 0 | pbe | true | 993be5574098e1a247d2b449998b300d_62_K8Pm4F20 |
[
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1,
1,
1
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"Mg",
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"F",
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"F",
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] | 0.61197 | 4.729514 | pbe | true | 7aa7fcbd0ca36a1557a5ebdaf85de71b_225_Rb2Mg1In1F6 |
[
"In",
"K",
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] | 12 | A3BCD | InKTe3Y | K2 Y2 In2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.31171095,
0,
0
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[
0,
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"Te",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 5.574524 | pbe | true | ae796e1cc34f653c85bc6319e0f6ec66_11_K2Y2In2Te6 |
[
"Ba",
"Hg",
"Ta"
] | 4 | A2BC | BaHg2Ta | Ba1 Ta1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
3.27183159,
0,
0
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[
0,
3.27183159,
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[
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"Ba",
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"Hg",
"Ta"
] | 2023-11-16 06:57:59 | [
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[
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[
0,
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0
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] | 0 | 2.539999 | pbe | true | c3a5fb4dd19e0a4c8c066cc78f1ca32e_123_Ba1Ta1Hg2 |
[
"As",
"La",
"Rh"
] | 4 | A2BC | AsLaRh2 | La1 As1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
5.63905812,
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[
4.07895889,
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"As",
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] | -0 | 3.535439 | pbe | true | 0a4ddfc2a5db2acf762ab438f4374ce3_166_La1As1Rh2 |
[
"Cu",
"Nd",
"Pa"
] | 6 | A4BC | Cu4NdPa | Nd1 Pa1 Cu4 | 3 | [
1,
1,
1
] | 3 | [
[
5.26878721,
0,
0
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[
2.63439361,
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0
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[
2.63439361,
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] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Pa",
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"Cu",
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[
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] | -0.000001 | 8.695277 | pbe | true | d10301bb2e5c19ebeb628bae4f717e91_216_Nd1Pa1Cu4 |
[
"Dy",
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] | 4 | A2BC | Dy2LiZn | Li1 Dy2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
3.65410279,
0,
0
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[
0,
5.07431884,
0
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[
0,
0,
5.07431884
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[
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Li",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
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] | 0.000102 | 4.420903 | pbe | true | 71c71ef7dcc4acf21a315968de9bb443_123_Li1Dy2Zn1 |
[
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1,
1,
1
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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"B",
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"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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] | 2.053181 | 9.160399 | pbe | true | bfff8262252d72e1257e10690bc686f0_63_Pm2Cu2B2O8 |
[
"B",
"Ga",
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] | 4 | A2BC | BGaRe2 | Ga1 Re2 B1 | 3 | [
1,
1,
1
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[
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] | -0.000001 | 5.37975 | pbe | true | 78780474d1e2f8611fd43d44dee6dea3_225_Ga1Re2B1 |
[
"B",
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] | 8 | A2BC | BLaNi2 | La2 Ni4 B2 | 3 | [
1,
1,
1
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2.75696094,
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"La",
"La",
"Ni",
"Ni",
"Ni",
"Ni",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
0,
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] | 0 | 4.26069 | pbe | true | b789fd52196aa37719bfec66094c9878_15_La2Ni4B2 |
[
"Ga",
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"Tc",
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] | 4 | ABCD | GaTbTcTm | Tb1 Tm1 Ga1 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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2.4634674,
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[
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] | -0.000034 | 3.073922 | pbe | true | 5c2f23841de48cc570889651022bd335_216_Tb1Tm1Ga1Tc1 |
[
"As",
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1,
1,
1
] | 3 | [
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4.00751336,
0,
0
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[
0,
4.00751336,
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[
0,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
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"O",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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] | -23.90105 | [
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[
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[
0,
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[
0,
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0
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] | 0 | 2.722911 | pbe | true | d6dd0d6d298dab2fa7cc3d51da2b5c9b_123_As1P2N1O1 |
[
"In",
"Nb",
"Sn"
] | 4 | A2BC | InNb2Sn | Nb2 In1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.41012027,
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[
3.41012027,
0,
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3.41012027,
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"Nb",
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0.25,
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[
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[
0,
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[
0,
0,
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] | 0 | 5.615528 | pbe | true | de5c771636af7db9db517320e62e2481_225_Nb2In1Sn1 |
[
"H",
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"Pd",
"Tl"
] | 9 | A3B3C2D | HNa3Pd3Tl2 | Na3 Tl2 H1 Pd3 | 4 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
6.97450117,
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[
0,
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
"Na",
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"Tl",
"Tl",
"H",
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] | 2023-11-16 06:57:59 | [
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[
0,
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] | 0 | 3.959416 | pbe | true | 8d3f8a3caef1fcde87518343c3fd0c7c_189_Na3Tl2H1Pd3 |
[
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] | 20 | A6B3C | BeCu6Zn3 | Be2 Zn6 Cu12 | 3 | [
1,
1,
1
] | 3 | [
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3.7837414,
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[
0,
7.82169173,
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[
0,
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] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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"Cu",
"Cu",
"Cu",
"Cu",
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] | 2023-11-16 06:57:59 | [
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] | -65.509884 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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[
0,
0.00384663,
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],
[
0,
-0.00384663,
-0.00808548
]
] | 0 | 3.923946 | pbe | true | 51bdb6945b1d83a463084f85237194a7_11_Be2Zn6Cu12 |
[
"Co",
"Zn",
"Zr"
] | 5 | A3BC | Co3ZnZr | Zr1 Zn1 Co3 | 3 | [
1,
1,
1
] | 3 | [
[
4.53385308,
0,
0
],
[
0,
4.53385308,
0
],
[
0,
0,
4.53385308
]
] | agm002452963 | [
[
2.26692654,
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2.26692654
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[
0,
2.26692654,
0
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[
0,
0,
2.26692654
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[
2.26692654,
0,
0
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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": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Co",
"Co",
"Co",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.0298548,
0,
0
],
[
0,
3.0298548,
0
],
[
0,
0,
3.0298548
]
] | -24.125415 | [
-0.012,
0.649,
0.748,
0.447,
-0.201
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 1.526207 | 4.312456 | pbe | true | a670bbd223d9f10fde881d070fd32617_221_Zr1Zn1Co3 |
[
"Mo",
"N",
"Si"
] | 4 | A2BC | Mo2NSi | Si1 Mo2 N1 | 3 | [
1,
1,
1
] | 3 | [
[
2.86851558,
0,
0
],
[
1.43425779,
2.48420736,
0
],
[
1.43425779,
0.82806912,
7.02969482
]
] | agm001933019 | [
[
1.4342592386003679,
0.8280699563498112,
1.3791719247369376
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[
4.302771921399632,
2.484206523650189,
5.6505228952630615
],
[
2.86851558,
1.65613824,
3.51484741
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Mo",
"Mo",
"Si",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.6384657,
0,
0
],
[
0,
0.6384657,
0
],
[
0,
0,
0.14784206
]
] | -36.025938 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
-0.0013142
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000007 | 3.28248 | pbe | true | 24552c1f1ed7c8f608b9b3673d8c5165_166_Si1Mo2N1 |
[
"Mo",
"Pt",
"Rh"
] | 8 | A6BC | MoPt6Rh | Mo1 Pt6 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.78318516,
-0.00004124,
1.0327372
],
[
1.73220561,
4.4022021,
1.10040839
],
[
0.01522909,
-0.04165465,
7.38979324
]
] | agm005756170 | [
[
0,
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0
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[
2.469146458239397,
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5.846475397127268
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[
2.3276258451680873,
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[
0.8737173500000001,
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Mo",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Rh"
] | 2023-11-16 06:57:59 | [
0.125,
0.75,
0.125
] | [
[
9.359204,
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-0.00631407
],
[
-0.01395138,
9.072875,
0.05110195
],
[
-0.00631407,
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9.380365
]
] | -56.034916 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
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[
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[
0.00103208,
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[
0,
0,
0
]
] | 0.000042 | 7.111712 | pbe | true | 8e1bb1f48b10e6e9856cbeb9e74136c8_12_Mo1Pt6Rh1 |
[
"Si",
"W",
"Zn"
] | 4 | A2BC | Si2WZn | Zn1 Si2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
2.72801312,
0,
0
],
[
0,
2.72801312,
0
],
[
0,
0,
7.93115001
]
] | agm004040733 | [
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0,
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[
1.36400656,
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[
0,
0,
3.9028108183463637
],
[
1.36400656,
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Si",
"Si",
"W",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.827822,
0,
0
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[
0,
2.827822,
0
],
[
0,
0,
2.7060468
]
] | -23.558526 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0.00316358
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[
0,
0,
-0.00238771
]
] | 0.000012 | 2.315451 | pbe | true | 0074526387819cc442b19f8c5996b8a4_99_Zn1Si2W1 |
[
"Al",
"Cl",
"Fe",
"Tl"
] | 12 | A8B2CD | AlCl8Fe2Tl | Al1 Tl1 Fe2 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.17220928,
-0.32546147,
0.0137382
],
[
2.55844971,
5.6264045,
0.0137382
],
[
0.54626592,
0.33167308,
9.30109435
]
] | agm004886041 | [
[
0,
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0
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[
0.27313296,
0.16583654,
4.650547175
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[
5.616313709506918,
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3.949723793632
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[
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[
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[
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[
5.290271215434248,
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1.7123943369854802
],
[
3.394466528429791,
4.1977268468775035,
1.7123943369854802
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"Al",
"Tl",
"Fe",
"Fe",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
0.16666666666666666,
0.08333333333333333
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[
0.78190213,
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[
-0.05798035,
0.84219223,
0.00111705
],
[
0.00183987,
0.00111711,
0.71349555
]
] | -49.392608 | [
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0.007,
3.405,
3.405,
0.056,
0.059,
0.111,
0.111,
0.059,
0.056,
0.056,
0.056
] | [
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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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[
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[
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[
0.00142321,
0.00032875,
-0.00142215
],
[
0.0009482,
0.00111109,
-0.00142215
]
] | 7.999998 | 11.922402 | pbe | true | 8fd77ee2a231840af2748ff0c9a25b5b_12_Al1Tl1Fe2Cl8 |
[
"Au",
"Cl",
"H",
"Tl"
] | 12 | A8B2CD | AuCl8H2Tl | Tl1 H2 Au1 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
7.37770989,
-1.52870885,
-0.92743027
],
[
-1.62743499,
7.29791614,
1.62306265
],
[
-1.26700025,
2.25818973,
7.93575909
]
] | agm004912948 | [
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3.967879545
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[
2.4441068727180513,
6.261412659376367,
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[
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[
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[
2.0378007369840505,
2.2483910848770314,
3.456036197271893
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Tl",
"H",
"H",
"Au",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
0.16666666666666666,
0.08333333333333333
] | [
[
0.1108908,
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[
-0.14272214,
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],
[
-0.00927719,
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]
] | -32.92276 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
0.00036553,
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[
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[
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[
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[
-0.00126287,
0.00095536,
-0.0022871
],
[
0.00126287,
-0.00095536,
0.0022871
]
] | 0.000263 | 0 | pbe | true | f122f18774006b7940a8ddde0dd9b697_2_Tl1H2Au1Cl8 |
[
"B",
"Mn",
"Os",
"Pm"
] | 5 | A2BCD | B2MnOsPm | Pm1 Mn1 B2 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
3.80265187,
0,
0
],
[
0,
3.80265187,
0
],
[
-1.90132594,
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5.0561841
]
] | agm005021030 | [
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0,
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0
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[
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[
1.901325933402288,
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[
1.9013259325,
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Mn",
"B",
"B",
"Os"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.59103,
0,
0
],
[
0,
2.59103,
0
],
[
0,
0,
2.7628632
]
] | -40.271038 | [
-0.035,
2.097,
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0.118
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
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],
[
0,
0,
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[
0,
0,
0
]
] | 2.046904 | 2.267538 | pbe | true | 153af5cae20914c25b268386c1f0f123_119_Pm1Mn1B2Os1 |
[
"Bi",
"Ir",
"Sn",
"Sr"
] | 10 | A4B3C2D | BiIr4Sn3Sr2 | Sr2 Sn3 Bi1 Ir4 | 4 | [
1,
1,
1
] | 3 | [
[
4.60638334,
0,
0
],
[
0,
4.60638334,
0
],
[
0,
0,
10.95819199
]
] | agm004527401 | [
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sn",
"Sn",
"Sn",
"Bi",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
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[
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] | -0.000031 | 5.424571 | pbe | true | b778304df6d28edc30a28e7ce62aa4ac_115_Sr2Sn3Bi1Ir4 |
[
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"Hf",
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1,
1,
1
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0
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[
0,
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"Te",
"Hf",
"Hf",
"Fe",
"Ta"
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] | -0.0006 | 7.562364 | pbe | true | ea3ea0fca6427041f555fc728297fbea_123_Hf2Ta1Fe1Te1 |
[
"Ba",
"Cd",
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] | 3 | ABC | BaCdSe | Ba1 Cd1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
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"Ba",
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] | 2023-11-16 06:57:59 | [
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] | -0 | -0.002119 | pbe | true | f66faa9134c34260f41a539eb2c2a7ee_107_Ba1Cd1Se1 |
[
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"Mg",
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] | 8 | A4B2CD | AlAu4Mg2Th | Th1 Mg2 Al1 Au4 | 4 | [
1,
1,
1
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0,
0
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"Th",
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"Mg",
"Al",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 2.49248 | pbe | true | 2fc340e33a750a42c63139b9b6f46141_166_Th1Mg2Al1Au4 |
[
"Cu",
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1,
1,
1
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"Ho",
"Ho",
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"Cu",
"Os",
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] | -0 | 3.340312 | pbe | true | 9e55b82614503509e33bd4130d390d2e_74_Ho2Cu2Os2 |
[
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1,
1,
1
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[
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
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"Pr",
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"N",
"N",
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] | 2.97254 | 10.122168 | pbe | true | b20da1c0dd24e7b20e50a7012bc97948_10_Ce1Pr2Np1N4 |
[
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"Ru",
"S",
"Se"
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1,
1,
1
] | 3 | [
[
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"Dy",
"Ru",
"Ru",
"Se",
"Se",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
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] | -0.000001 | 9.027421 | pbe | true | be0a0e894cf828a3be1f2e3b5dfe3d1e_74_Dy8Ru2Se2S4 |
[
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"O",
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1,
1,
1
] | 3 | [
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Mo",
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"O",
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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1
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[
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[
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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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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
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"As",
"As",
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"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
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] | -0.000169 | 7.933234 | pbe | true | e0d7bae171635da9f8c08cbc0e57bf55_147_Sr1Al1As2Se8 |
[
"Al",
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] | 20 | A6B2CD | AlKS6Sn2 | K2 Al2 Sn4 S12 | 4 | [
1,
1,
1
] | 3 | [
[
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
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] | 0 | -0.000243 | pbe | true | b10592674b668b907702c97a643cfcc0_15_K2Al2Sn4S12 |
[
"Co",
"Dy",
"Th"
] | 3 | ABC | CoDyTh | Co1 Dy1 Th1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
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],
[
3.336744,
0,
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[
3.336744,
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}] | [
"Co",
"Dy",
"Th"
] | 2024-11-01 00:00:00 | [
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[
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] | -0.006741 | null | pbe | true | 8a83b62f219b492f06d59763a9eb8edf_216_Dy1Th1Co1 |
[
"Ba",
"I",
"Ir",
"Te"
] | 5 | A2BCD | BaI2IrTe | Ba1 Te1 Ir1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
5.53140938,
0,
0
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[
0,
5.53140938,
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[
0,
0,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"I",
"I",
"Ir",
"Te",
"Ba"
] | 2023-11-16 06:57:59 | [
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0.2
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 3.803651 | pbe | true | 853748022b4d9c38e135da062813773c_123_Ba1Te1Ir1I2 |
[
"C",
"Si",
"Tc",
"U"
] | 10 | A2BCD | CSiTc2U | U2 Si2 Tc4 C2 | 4 | [
1,
1,
1
] | 3 | [
[
3.34724888,
0,
0
],
[
-1.67362444,
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[
0,
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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": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"U",
"U",
"Si",
"Si",
"Tc",
"Tc",
"Tc",
"Tc",
"C",
"C"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
] | [
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[
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[
0,
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] | -96.708596 | [
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[
0,
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[
0,
0,
0
]
] | 3.02808 | 10.768347 | pbe | true | 6b8194097ff1466d783b5a9abf63042a_63_U2Si2Tc4C2 |
[
"Ni",
"Rb",
"S",
"Ti"
] | 9 | A4B2C2D | Ni2Rb2S4Ti | Rb2 Ti1 Ni2 S4 | 4 | [
1,
1,
1
] | 3 | [
[
3.65308483,
0,
0
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[
0,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Rb",
"Rb",
"Ti",
"Ni",
"Ni",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
0,
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] | -46.333115 | [
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0.283,
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0.038,
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[
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[
0,
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[
0,
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]
] | 0.617681 | 6.375401 | pbe | true | 39de9d9be5a1cbe832aaddc97e39d5d2_12_Rb2Ti1Ni2S4 |
[
"Ba",
"Mo"
] | 6 | A5B | Ba5Mo | Ba5 Mo1 | 2 | [
1,
1,
1
] | 3 | [
[
0,
5.44537155,
5.44537155
],
[
5.44537155,
0,
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[
5.44537155,
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0
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] | agm005460316 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Mo"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -14.865913 | [
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3.657
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[
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[
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0,
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] | 3.409274 | 9.745273 | pbe | true | b4acd04f0f270d1b1b862f39c57b8f71_216_Ba5Mo1 |
[
"B",
"C",
"Na"
] | 24 | A13B8C3 | B13C3Na8 | Na8 B13 C3 | 3 | [
1,
1,
1
] | 3 | [
[
8.72862119,
0.25259055,
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[
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[
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1,
1,
1
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] | 2.183183 | 7.622778 | pbe | true | bd1e36b09a992ae33b91026d88f3a3df_123_K1Rb1Sc2As1 |
[
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1,
1,
1
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] | 0 | 2.286615 | pbe | true | f3619662949d360521a3cce2ec90eb06_166_K1In1Sn2Au4 |
[
"B",
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"Mg",
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] | 4 | ABCD | BFeMgRu | B1 Fe1 Mg1 Ru1 | 4 | [
1,
1,
1
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] | 2.15053 | null | pbe | false | 5271e6625a163c50e99c31c9477c519a_216_Mg1Fe1B1Ru1 |
[
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"U"
] | 9 | A4B2C2D | Cs2Mn2Se4U | Cs2 U1 Mn2 Se4 | 4 | [
1,
1,
1
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"U",
"Mn",
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] | 2023-11-16 06:57:59 | [
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] | 6.00099 | 6.473989 | pbe | true | 0be2b3dca2cd747eba511e442fc94236_12_Cs2U1Mn2Se4 |
[
"Ba",
"Bi",
"Li"
] | 4 | A2BC | Ba2BiLi | Ba2 Li1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.01550102,
0,
0
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[
2.00775051,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Li",
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"Ba"
] | 2023-11-16 06:57:59 | [
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] | -0.000058 | 3.828271 | pbe | true | 6a73dc0843f0a6c2832e660254644470_166_Ba2Li1Bi1 |
[
"Ba",
"Sn",
"U"
] | 3 | ABC | BaSnU | Ba1 Sn1 U1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
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[
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[
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}] | [
"Ba",
"Sn",
"U"
] | 2024-11-01 00:00:00 | [
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] | -15.5117 | [
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] | 3.9972 | null | pbe | true | 2e10e8e499762ba21dbef066f9485024_216_Ba1U1Sn1 |
[
"Bi",
"N",
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] | 7 | A3B2C2 | Bi2N2O3 | Bi2 N2 O3 | 3 | [
1,
1,
1
] | 3 | [
[
3.19988394,
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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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Bi",
"Bi",
"N",
"N",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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] | 0 | 0 | pbe | true | bfac2f8832096f6e066f41826578a3e0_2_Bi2N2O3 |
[
"Ge",
"Mo",
"Nb"
] | 5 | A3BC | GeMo3Nb | Nb1 Ge1 Mo3 | 3 | [
1,
1,
1
] | 3 | [
[
4.77672039,
0,
0
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[
0,
4.77672039,
0
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
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"Mo",
"Ge",
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] | 0.000087 | 6.393851 | pbe | true | 95b29c4303d8a333b36a34bff1aa96c5_221_Nb1Ge1Mo3 |
[
"H",
"Np"
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1,
1,
1
] | 3 | [
[
3.38403348,
0,
0
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[
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1.69201674,
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Np",
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] | 4.014391 | 5.092303 | pbe | true | 1889ac9f80017c32702d5a0007c3c2cd_225_Np1H1 |
[
"Ba",
"Br",
"F"
] | 10 | A2B2C | Ba2BrF2 | Ba4 Br2 F4 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
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[
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"Ba",
"Ba",
"Ba",
"Ba",
"Br",
"Br",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
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[
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] | 0.211433 | 4.842047 | pbe | true | d6a7b8129c0b48320f5f529139fa8223_127_Ba4Br2F4 |
[
"Pt",
"Re",
"Sc"
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1,
1,
1
] | 3 | [
[
4.35716744,
0,
0
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[
2.17858372,
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"Pt",
"Re",
"Sc"
] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | 1.742987 | 5.086858 | pbe | true | 00021e0a4a30ac4042b1d4385d56a235_216_Sc1Re1Pt1 |
[
"Ac",
"N",
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"Pb"
] | 9 | A4B2C2D | Ac4N2OPb2 | Ac4 Pb2 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
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0
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[
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"Ac",
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"Ac",
"Ac",
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"N",
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] | 2023-11-16 06:57:59 | [
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[
0,
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0,
0
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] | 0.000002 | 1.539938 | pbe | true | b5f2173ea6150fea7327598fd56c9750_12_Ac4Pb2N2O1 |
[
"As",
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"Sb",
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1,
1,
1
] | 3 | [
[
4.40046763,
0,
0
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[
0,
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] | 2023-11-16 06:57:59 | [
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] | 5.380574 | 36.40804 | pbe | true | 3447d606805627e5e10f8d56f29c8b46_12_Ce6Sb3Te1As2 |
[
"As",
"Ni",
"Np",
"P"
] | 4 | ABCD | AsNiNpP | Np1 Ni1 As1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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] | 3.497792 | 8.555535 | pbe | true | 02b76d1105729d329fb4f3dd22e47375_44_Np1Ni1As1P1 |
[
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1,
1,
1
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] | 0.000247 | 5.477899 | pbe | true | 7e24a032b0d636aeb705b06354290cdd_166_Na4Hf3Au1Se8 |
[
"B",
"Ga",
"Hf",
"La"
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1,
1,
1
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0
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[
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1,
1,
1
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] | 4.999996 | 8.741456 | pbe | true | 12d51bfd553ac1bf7749a563763a53f8_164_Cs3Li1V2F9 |
[
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1,
1,
1
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"K",
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"Se",
"Se",
"Se",
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[
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] | 3.748308 | 5.630393 | pbe | true | 1f11a9b26d139c384ff91de47071255a_11_K2Sm2Ni2Se6 |
[
"Na",
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"Y",
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1,
1,
1
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0
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[
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] | 0.000002 | 10.474452 | pbe | true | 6afcd0a6fb69875417476e6bfb088821_123_Na1Y1Zr2Nb1 |
[
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1,
1,
1
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0,
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] | 0.000034 | 8.504556 | pbe | true | ef31cc7da64684d66f47e17ea6c62283_51_Pa2Mn2Re2 |
[
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1,
1,
1
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] | -0.000113 | 0 | pbe | true | 1c95bf8359ee746f4aa73361a8f87f89_1_Pb4O4 |
[
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1,
1,
1
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] | -0.00003 | 3.879386 | pbe | true | 7be59781e56d487433a9e41285fcde9d_12_Tb5Rh4 |
[
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1,
1,
1
] | 3 | [
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[
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1
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"F",
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"F",
"F",
"F",
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[
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"Nb",
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1,
1,
1
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0
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0,
0
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] | 1.999942 | 3.394895 | pbe | true | fe9d8d86d3fdc0441b6e68180954aab2_216_Nb1Al1Cr1Ru1 |
[
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"Hg",
"Rb"
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1,
1,
1
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0,
0
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[
0,
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"Rb",
"Ba",
"Hg",
"Hg",
"Hg",
"Hg",
"Bi",
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0.5,
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] | -0 | 5.260865 | pbe | true | 9bc2ce0bb652ffca481cf552f499e3e7_123_Rb1Ba1Hg4Bi2 |