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{
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{
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{
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{
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"id": "mp-1101240",
"created_at": "2022-09-04T14:46:26.391540Z",
"structure_string": "V3 Co1 P6 O24\n1.0\n7.583783 -4.231413 0.000000\n7.583783 4.231413 0.000000\n5.222844 0.000000 6.938337\nV Co P O\n3 1 6 24\ndirect\n0.859920 0.859920 0.859920 V\n0.641547 0.641547 0.641547 V\n0.360903 0.360903 0.360903 V\n0.143192 0.143192 0.143192 Co\n0.249273 0.527567 0.969955 P\n0.969955 0.249273 0.527567 P\n0.527568 0.969955 0.249273 P\n0.463050 0.033522 0.756689 P\n0.033522 0.756689 0.463050 P\n0.756689 0.463050 0.033522 P\n0.715168 0.500674 0.861594 O\n0.500674 0.861594 0.715168 O\n0.072941 0.715168 0.939320 O\n0.861594 0.715168 0.500674 O\n0.424176 0.568307 0.784283 O\n0.228916 0.357930 0.984442 O\n0.939320 0.072941 0.715168 O\n0.784283 0.424176 0.568307 O\n0.568307 0.784283 0.424176 O\n0.643492 0.005698 0.776255 O\n0.280581 0.057039 0.927313 O\n0.005698 0.776255 0.643492 O\n0.984442 0.228916 0.357930 O\n0.715168 0.939320 0.072941 O\n0.357930 0.984442 0.228916 O\n0.442381 0.214319 0.570939 O\n0.214319 0.570939 0.442381 O\n0.057039 0.927313 0.280581 O\n0.776255 0.643492 0.005698 O\n0.570939 0.442381 0.214319 O\n0.143285 0.275986 0.504173 O\n0.927313 0.280581 0.057039 O\n0.504173 0.143285 0.275986 O\n0.275986 0.504173 0.143285 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"V",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-V",
"density": 2.914533796682078,
"density_atomic": 0.07635231645017895,
"volume": 445.3041057658744,
"volume_molar": 7.887305899788304,
"formula_full": "V3 Co1 P6 O24",
"formula_reduced": "V3Co(PO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -267.54607273,
"energy_per_atom": -7.869002139117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.32007273,
"band_gap": 1.2207,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.417000Z",
"spacegroup": 146
}
]
}