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{
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{
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{
"id": "mp-1106048",
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{
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{
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{
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"structure_string": "Ce2 Bi2 S4 O2\n1.0\n4.015541 0.000000 0.000000\n0.000000 4.015541 0.000000\n0.000000 0.000000 13.614615\nCe Bi S O\n2 2 4 2\ndirect\n0.500000 0.000000 0.590749 Ce\n0.000000 0.500000 0.409251 Ce\n0.500000 0.000000 0.124338 Bi\n0.000000 0.500000 0.875662 Bi\n0.500000 0.000000 0.314870 S\n0.500000 0.000000 0.880980 S\n0.000000 0.500000 0.685130 S\n0.000000 0.500000 0.119020 S\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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{
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{
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{
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"density_atomic": 0.05136475054835845,
"volume": 428.3092931462332,
"volume_molar": 11.724267509739636,
"formula_full": "Ce2 Br6 O14",
"formula_reduced": "CeBr3O7",
"formula_anonymous": "AB3C7",
"energy": -107.41900228,
"energy_per_atom": -4.882681921818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.16500228,
"band_gap": 0.1895,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9992309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.157000Z",
"spacegroup": 2
}
]
}