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{
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{
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{
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"structure_string": "Nb4 Hg4 O14\n1.0\n0.000000 5.329196 5.329196\n5.329196 0.000000 5.329196\n5.329196 5.329196 0.000000\nNb Hg O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Nb\n0.625000 0.125000 0.625000 Nb\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.625000 Nb\n0.125000 0.125000 0.625000 Hg\n0.125000 0.625000 0.125000 Hg\n0.625000 0.125000 0.125000 Hg\n0.125000 0.125000 0.125000 Hg\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.560761 0.939239 0.560761 O\n0.310761 0.689239 0.310761 O\n0.560761 0.560761 0.939239 O\n0.939239 0.560761 0.560761 O\n0.560761 0.939239 0.939239 O\n0.939239 0.939239 0.560761 O\n0.939239 0.560761 0.939239 O\n0.689239 0.310761 0.310761 O\n0.310761 0.689239 0.689239 O\n0.689239 0.310761 0.689239 O\n0.310761 0.310761 0.689239 O\n0.689239 0.689239 0.310761 O\n",
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{
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"created_at": "2022-09-04T14:47:19.736659Z",
"structure_string": "Ce6 Sn10\n1.0\n4.091389 -5.112588 0.000000\n4.091389 5.112588 0.000000\n0.000000 0.000000 10.495241\nCe Sn\n6 10\ndirect\n0.626719 0.626719 0.250000 Ce\n0.373281 0.373281 0.750000 Ce\n0.203568 0.796432 0.500000 Ce\n0.203568 0.796432 0.000000 Ce\n0.796432 0.203568 0.500000 Ce\n0.796432 0.203568 0.000000 Ce\n0.017246 0.017246 0.250000 Sn\n0.982754 0.982754 0.750000 Sn\n0.314297 0.314297 0.045662 Sn\n0.685703 0.685703 0.954338 Sn\n0.314297 0.314297 0.454338 Sn\n0.685703 0.685703 0.545662 Sn\n0.502436 0.066687 0.250000 Sn\n0.933313 0.497564 0.750000 Sn\n0.497564 0.933313 0.750000 Sn\n0.066687 0.502436 0.250000 Sn\n",
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{
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"created_at": "2022-09-04T14:42:37.504551Z",
"structure_string": "K1 Hf1 Sn1 Bi1 O6\n1.0\n0.000000 -4.109984 -4.109984\n4.109984 0.000000 -4.109984\n4.109984 -4.109984 0.000000\nK Hf Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Bi\n0.749576 0.250424 0.250424 O\n0.250424 0.749576 0.749576 O\n0.749576 0.250424 0.749576 O\n0.250424 0.749576 0.250424 O\n0.749576 0.749576 0.250424 O\n0.250424 0.250424 0.749576 O\n",
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -21.79221801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038838,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.715000Z",
"spacegroup": 139
}
]
}