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"formula_full": "Zr2 N2 O12",
"formula_reduced": "ZrNO6",
"formula_anonymous": "ABC6",
"energy": -111.99098046,
"energy_per_atom": -6.99943627875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -110.05898046,
"band_gap": 0.9489,
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"is_magnetic": true,
"total_magnetization": 3.9994283,
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"updated_at": "2021-11-28T01:36:38.500000Z",
"spacegroup": 12
},
{
"id": "mp-1190193",
"created_at": "2022-09-04T14:43:21.443074Z",
"structure_string": "Zr2 N2 O12\n1.0\n4.850220 3.753879 0.000000\n4.850220 -3.753879 0.000000\n1.781403 0.000000 -7.477664\nZr N O\n2 2 12\ndirect\n0.812800 0.812800 0.431455 Zr\n0.187200 0.187200 0.568545 Zr\n0.721534 0.721534 0.126607 N\n0.278466 0.278466 0.873393 N\n0.037732 0.037732 0.400479 O\n0.962268 0.962268 0.599521 O\n0.910216 0.483711 0.582225 O\n0.483711 0.910216 0.582225 O\n0.089784 0.516289 0.417775 O\n0.516289 0.089784 0.417775 O\n0.635034 0.635034 0.283457 O\n0.364966 0.364966 0.716543 O\n0.855784 0.855784 0.132996 O\n0.144216 0.144216 0.867004 O\n0.683220 0.683220 0.987403 O\n0.316780 0.316780 0.012597 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 2.4543014910280014,
"density_atomic": 0.058760073773586975,
"volume": 272.293735737141,
"volume_molar": 10.248695029220658,
"formula_full": "Zr2 N2 O12",
"formula_reduced": "ZrNO6",
"formula_anonymous": "ABC6",
"energy": -117.89769332,
"energy_per_atom": -7.3686058325,
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"energy_uncorrected": -112.31769332,
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"total_magnetization": 0.0054074,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.454000Z",
"spacegroup": 12
}
]
}