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{
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"id": "mp-18815",
"created_at": "2022-09-04T14:45:10.524981Z",
"structure_string": "K4 V4 O12\n1.0\n5.372680 0.000000 0.000000\n0.000000 5.786571 0.000000\n0.000000 0.000000 10.912784\nK V O\n4 4 12\ndirect\n0.057692 0.750000 0.894780 K\n0.057692 0.250000 0.605220 K\n0.942308 0.250000 0.105220 K\n0.942308 0.750000 0.394780 K\n0.482326 0.750000 0.161203 V\n0.482326 0.250000 0.338797 V\n0.517674 0.250000 0.838797 V\n0.517674 0.750000 0.661203 V\n0.381944 0.750000 0.523738 O\n0.381944 0.250000 0.976262 O\n0.618056 0.250000 0.476262 O\n0.618056 0.750000 0.023738 O\n0.829717 0.750000 0.647266 O\n0.829717 0.250000 0.852734 O\n0.170283 0.250000 0.352734 O\n0.170283 0.750000 0.147266 O\n0.590300 0.000000 0.250000 O\n0.409700 0.500000 0.750000 O\n0.409700 0.000000 0.750000 O\n0.590300 0.500000 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"V",
"O"
],
"chemical_system": "K-O-V",
"density": 2.7024640613178246,
"density_atomic": 0.05894977825570266,
"volume": 339.2718444715311,
"volume_molar": 10.215714016561941,
"formula_full": "K4 V4 O12",
"formula_reduced": "KVO3",
"formula_anonymous": "ABC3",
"energy": -148.37006017000002,
"energy_per_atom": -7.418503008500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.32606017,
"band_gap": 3.0460000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001187,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.815000Z",
"spacegroup": 57
}
]
}