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"created_at": "2022-09-04T14:36:10.430441Z",
"updated_at": "2022-09-04T14:36:10.430456Z",
"structure_string": "Fe8 O2 F14\n1.0\n-4.735764 4.735764 6.229330\n0.068575 4.814469 -3.122880\n-4.814469 -0.068575 -3.122880\nFe O F\n8 2 14\ndirect\n0.619683 0.869326 0.869326 Fe\n0.880315 0.630673 0.630673 Fe\n0.498563 0.475592 0.475592 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.250000 Fe\n0.112668 0.365071 0.365071 Fe\n0.387331 0.134928 0.134928 Fe\n0.001437 0.024407 0.024407 Fe\n0.965038 0.233004 0.233004 O\n0.534961 0.266995 0.266995 O\n0.004958 0.308361 0.710611 F\n0.495042 0.789389 0.191638 F\n0.250000 0.042956 0.457044 F\n0.772199 0.016836 0.016836 F\n0.023594 0.791065 0.791065 F\n0.269830 0.518885 0.518885 F\n0.495042 0.191638 0.789389 F\n0.476406 0.708934 0.708934 F\n0.230169 0.981114 0.981114 F\n0.749999 0.946144 0.553855 F\n0.250000 0.457044 0.042956 F\n0.749999 0.553855 0.946144 F\n0.727800 0.483163 0.483163 F\n0.004958 0.710611 0.308361 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.282167982044247,
"density_atomic": 0.08310425048154375,
"volume": 288.793892742346,
"volume_molar": 7.246489469678125,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3730206231249995,
"spacegroup": 12
}
]
}