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"structure_string": "Mn8 O4 F12\n1.0\n0.000000 -0.000000 -6.301990\n4.946084 4.946084 -0.000000\n4.626622 -4.626622 3.150996\nMn O F\n8 4 12\ndirect\n-0.000278 -0.000000 -0.000514 Mn\n0.499766 0.000000 -0.000514 Mn\n0.500630 0.000000 0.501262 Mn\n0.751650 0.500000 0.003301 Mn\n0.998349 0.000000 0.496699 Mn\n0.249368 0.500000 0.998737 Mn\n0.750278 0.500000 0.500514 Mn\n0.250234 0.500000 0.500514 Mn\n0.906275 0.500000 0.312550 O\n0.594905 0.500000 0.689810 O\n0.843724 0.000000 0.187450 O\n0.155094 -0.000000 0.810189 O\n0.249702 0.800836 0.499019 F\n0.350332 0.000000 0.200662 F\n0.000684 0.300836 0.000981 F\n0.500297 0.300836 0.000981 F\n0.249702 0.199163 0.499019 F\n0.000684 0.699163 0.000981 F\n0.500297 0.699163 0.000981 F\n0.749315 0.199163 0.499019 F\n0.399668 0.500000 0.299337 F\n0.650031 0.000000 0.800065 F\n0.099967 0.500000 0.699934 F\n0.749315 0.800836 0.499019 F\n",
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"created_at": "2022-09-04T14:38:13.412654Z",
"updated_at": "2022-09-04T14:38:13.412680Z",
"structure_string": "Fe8 O2 F14\n1.0\n-4.894796 4.894796 6.145252\n-0.058838 4.843252 -3.079858\n-4.843252 0.058838 -3.079858\nFe O F\n8 2 14\ndirect\n0.614927 0.880761 0.890428 Fe\n0.885074 0.619240 0.609573 Fe\n0.500000 0.525149 0.474852 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.250000 Fe\n0.114927 0.390427 0.380761 Fe\n0.385073 0.109573 0.119239 Fe\n-0.000000 0.974851 0.025149 Fe\n0.500000 0.800574 0.199427 O\n-0.000000 0.699426 0.300574 O\n0.246243 0.052768 0.445606 F\n0.771328 0.038067 0.013214 F\n0.525568 0.274412 0.267196 F\n0.025567 0.767196 0.774412 F\n0.271328 0.513214 0.538066 F\n0.974433 0.225588 0.232804 F\n0.500000 0.222782 0.777219 F\n0.474432 0.732804 0.725588 F\n0.228672 0.986786 0.961934 F\n0.746243 0.945606 0.552768 F\n-0.000000 0.277219 0.722781 F\n0.753757 0.554395 0.947233 F\n0.728672 0.461934 0.486787 F\n0.253757 0.447233 0.054395 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.288296294830474,
"density_atomic": 0.08322318295755855,
"volume": 288.38118354881135,
"volume_molar": 7.236133666109743,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3723697897916662,
"spacegroup": 15
}
]
}