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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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{
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{
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{
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"id": "mp-1017095",
"created_at": "2022-09-04T14:39:47.825704Z",
"structure_string": "Mg12 Ga2 Bi2\n1.0\n5.306163 0.000000 0.000000\n0.000000 6.289440 0.000000\n0.000000 0.000000 11.183834\nMg Ga Bi\n12 2 2\ndirect\n0.000000 0.245797 0.081814 Mg\n0.000000 0.754203 0.081814 Mg\n0.000000 0.000000 0.331692 Mg\n0.500000 0.745951 0.412528 Mg\n0.500000 0.254049 0.412528 Mg\n0.500000 0.000000 0.167937 Mg\n0.000000 0.745797 0.581814 Mg\n0.000000 0.254203 0.581814 Mg\n0.000000 0.500000 0.831692 Mg\n0.500000 0.245951 0.912528 Mg\n0.500000 0.754049 0.912528 Mg\n0.500000 0.500000 0.667937 Mg\n0.000000 0.500000 0.348801 Ga\n0.000000 0.000000 0.848801 Ga\n0.500000 0.500000 0.162884 Bi\n0.500000 0.000000 0.662884 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Mg",
"density": 3.777527889179944,
"density_atomic": 0.042868343798304315,
"volume": 373.2357861847905,
"volume_molar": 14.04799025671295,
"formula_full": "Mg12 Ga2 Bi2",
"formula_reduced": "Mg6GaBi",
"formula_anonymous": "ABC6",
"energy": -33.69827033,
"energy_per_atom": -2.106141895625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.69827033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.381000Z",
"spacegroup": 38
}
]
}