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"id": "mp-28003",
"created_at": "2022-09-04T14:41:16.467842Z",
"structure_string": "H12 O2 F8\n1.0\n5.555151 0.000000 0.000000\n-2.277792 6.225823 0.000000\n-2.335828 -2.699010 6.009654\nH O F\n12 2 8\ndirect\n0.552879 0.767258 0.995333 H\n0.447121 0.232742 0.004667 H\n0.397270 0.528065 0.759536 H\n0.602730 0.471935 0.240464 H\n0.719741 0.754903 0.833795 H\n0.280259 0.245097 0.166205 H\n0.620289 0.185073 0.762613 H\n0.379711 0.814927 0.237387 H\n0.890417 0.306940 0.614980 H\n0.109583 0.693060 0.385020 H\n0.908497 0.795687 0.611353 H\n0.091503 0.204313 0.388647 H\n0.590020 0.661902 0.888906 O\n0.409980 0.338098 0.111094 O\n0.542209 0.107228 0.849704 F\n0.457791 0.892772 0.150296 F\n0.713491 0.302583 0.639070 F\n0.286509 0.697417 0.360930 F\n0.116220 0.327425 0.587269 F\n0.883780 0.672575 0.412731 F\n0.080258 0.114375 0.242391 F\n0.919742 0.885625 0.757609 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 1.5665461040267228,
"density_atomic": 0.10584749251702834,
"volume": 207.84620851042573,
"volume_molar": 5.689450564009516,
"formula_full": "H12 O2 F8",
"formula_reduced": "H6OF4",
"formula_anonymous": "AB4C6",
"energy": -102.9998528,
"energy_per_atom": -4.681811490909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.9298528,
"band_gap": 7.3988,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002755,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.712000Z",
"spacegroup": 2
}
]
}