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"id": "mp-989649",
"created_at": "2022-09-04T14:39:07.116898Z",
"structure_string": "Ca2 Mo2 N6\n1.0\n3.581524 0.000000 0.000000\n0.000000 4.403808 0.000000\n0.000000 1.933327 9.992882\nCa Mo N\n2 2 6\ndirect\n0.500000 0.887323 0.242060 Ca\n0.500000 0.112677 0.757940 Ca\n0.000000 0.324202 0.406801 Mo\n0.000000 0.675798 0.593199 Mo\n0.000000 0.972825 0.059687 N\n0.000000 0.817955 0.400792 N\n0.000000 0.027175 0.940313 N\n0.500000 0.348650 0.326714 N\n0.500000 0.651350 0.673286 N\n0.000000 0.182045 0.599208 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"N"
],
"chemical_system": "Ca-Mo-N",
"density": 3.7515007974899066,
"density_atomic": 0.06344727862054193,
"volume": 157.61117288901912,
"volume_molar": 9.49156668486369,
"formula_full": "Ca2 Mo2 N6",
"formula_reduced": "CaMoN3",
"formula_anonymous": "ABC3",
"energy": -83.38714055,
"energy_per_atom": -8.338714055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.22114055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1298263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.836000Z",
"spacegroup": 10
}
]
}