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"created_at": "2022-09-04T14:38:31.849848Z",
"updated_at": "2022-09-04T14:38:31.849882Z",
"structure_string": "Mn6 O4 F10\n1.0\n6.381804 0.041395 -5.390725\n-1.087855 5.753383 -5.958541\n-0.029445 -0.041395 8.353830\nMn O F\n6 4 10\ndirect\n0.108207 0.108207 -0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 -0.000000 -0.000001 Mn\n0.891793 0.891792 -0.000001 Mn\n0.199549 0.976181 0.776631 O\n0.199549 0.422918 0.223369 O\n0.800450 0.023818 0.223368 O\n0.800450 0.577081 0.776630 O\n0.552932 0.853222 0.699711 F\n0.000000 0.195961 0.195961 F\n0.000000 0.804039 0.804039 F\n0.447067 0.146778 0.300288 F\n0.153511 0.853222 0.300288 F\n0.118864 0.330872 0.787992 F\n0.457120 0.669128 0.787992 F\n0.881135 0.669127 0.212007 F\n0.542880 0.330872 0.212007 F\n0.846489 0.146778 0.699710 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.183865676633854,
"density_atomic": 0.06570720341289797,
"volume": 304.38063045115246,
"volume_molar": 9.165115005971911,
"formula_full": "Mn6 O4 F10",
"formula_reduced": "Mn3O2F5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.7929710136637926,
"spacegroup": 71
}
]
}