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{
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{
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{
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.27509739,
"band_gap": 3.2056,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016537,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.578000Z",
"spacegroup": 15
},
{
"id": "mp-1185671",
"created_at": "2022-09-04T14:42:21.231018Z",
"structure_string": "Mg16 Al12 Ge1\n1.0\n5.258457 -7.414821 0.000000\n5.258457 7.414821 0.000000\n-5.196999 0.000000 7.458026\nMg Al Ge\n16 12 1\ndirect\n0.408998 0.408998 0.705859 Mg\n0.683143 0.683143 0.283231 Mg\n0.998032 0.998032 0.345876 Mg\n0.002563 0.002563 0.002563 Mg\n0.595933 0.316795 0.998435 Mg\n0.705859 0.408998 0.408998 Mg\n0.316795 0.998435 0.595933 Mg\n0.345876 0.998032 0.998032 Mg\n0.683143 0.283231 0.683143 Mg\n0.998435 0.595933 0.316795 Mg\n0.595933 0.998435 0.316795 Mg\n0.283231 0.683143 0.683143 Mg\n0.998032 0.345876 0.998032 Mg\n0.998435 0.316795 0.595933 Mg\n0.408998 0.705859 0.408998 Mg\n0.316795 0.595933 0.998435 Mg\n0.358188 0.358188 0.170182 Al\n0.185666 0.185666 0.809877 Al\n0.816182 0.631639 0.002665 Al\n0.002665 0.816182 0.631639 Al\n0.358188 0.170182 0.358188 Al\n0.002665 0.631639 0.816182 Al\n0.185666 0.809877 0.185666 Al\n0.809877 0.185666 0.185666 Al\n0.631639 0.002665 0.816182 Al\n0.170182 0.358188 0.358188 Al\n0.816182 0.002665 0.631639 Al\n0.631639 0.816182 0.002665 Al\n0.691049 0.691049 0.691049 Ge\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Mg",
"density": 2.2421824974562776,
"density_atomic": 0.04986377003834849,
"volume": 581.5845849139988,
"volume_molar": 12.077187014476804,
"formula_full": "Mg16 Al12 Ge1",
"formula_reduced": "Mg16Al12Ge",
"formula_anonymous": "AB12C16",
"energy": -75.64222555,
"energy_per_atom": -2.608352605172414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.64222555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.305000Z",
"spacegroup": 160
}
]
}