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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-1074668",
"created_at": "2022-09-04T14:42:51.325522Z",
"structure_string": "Mg8 Si4\n1.0\n5.923229 0.000000 0.000000\n1.820340 6.446193 0.000000\n2.551106 1.454527 6.274052\nMg Si\n8 4\ndirect\n0.877232 0.806904 0.105250 Mg\n0.937104 0.217426 0.190075 Mg\n0.437192 0.143942 0.222054 Mg\n0.290411 0.525772 0.857338 Mg\n0.054085 0.899565 0.576748 Mg\n0.037347 0.458202 0.464531 Mg\n0.732234 0.591004 0.890410 Mg\n0.386925 0.083771 0.769095 Mg\n0.528083 0.511351 0.399886 Si\n0.604881 0.796013 0.524456 Si\n0.306003 0.774589 0.163750 Si\n0.808404 0.191921 0.836397 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.126517839700792,
"density_atomic": 0.05009233826139017,
"volume": 239.55759336651448,
"volume_molar": 12.02207956149994,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.58333899,
"energy_per_atom": -2.7986115825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86733899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.299000Z",
"spacegroup": 1
}
]
}