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"id": "mp-1246096",
"created_at": "2022-09-04T14:46:16.893682Z",
"structure_string": "Mg6 Fe4 N8\n1.0\n6.122601 -0.023835 0.030848\n-4.673844 5.972610 0.000000\n-0.056719 -0.044385 5.129688\nMg Fe N\n6 4 8\ndirect\n0.230125 0.985930 0.047509 Mg\n0.769875 0.755805 0.452491 Mg\n0.769875 0.014070 0.952491 Mg\n0.230125 0.244195 0.547509 Mg\n0.000000 0.604101 0.750000 Mg\n0.000000 0.395899 0.250000 Mg\n0.595204 0.170950 0.606765 Fe\n0.404796 0.575746 0.893235 Fe\n0.404796 0.829050 0.393235 Fe\n0.595204 0.424254 0.106765 Fe\n0.212478 0.936701 0.517983 N\n0.787522 0.724223 0.982017 N\n0.787522 0.063299 0.482017 N\n0.212478 0.275777 0.017983 N\n0.685787 0.259839 0.946223 N\n0.314213 0.574052 0.553777 N\n0.314213 0.740161 0.053777 N\n0.685787 0.425948 0.446223 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 4.272941825074425,
"density_atomic": 0.09624260561116113,
"volume": 187.02735535572992,
"volume_molar": 6.257250332904142,
"formula_full": "Mg6 Fe4 N8",
"formula_reduced": "Mg3(FeN2)2",
"formula_anonymous": "A2B3C4",
"energy": -118.89532724,
"energy_per_atom": -6.605295957777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.00732724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.767000Z",
"spacegroup": 15
}
]
}