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F\n0.514028 0.968139 0.109003 F\n0.031861 0.485972 0.390997 F\n0.485972 0.031861 0.890997 F\n0.968139 0.514028 0.609003 F\n0.827759 0.802977 0.209385 F\n0.197023 0.172241 0.290615 F\n","nsites":42,"nelements":3,"elements":["Sb","Br","F"],"chemical_system":"Br-F-Sb","density":3.471291850201711,"density_atomic":0.052950989455180654,"volume":793.1863111934875,"volume_molar":11.373046702172251,"formula_full":"Sb6 Br4 F32","formula_reduced":"Sb3(BrF8)2","formula_anonymous":"A2B3C16","energy":-190.2078155,"energy_per_atom":-4.528757511904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.4238155,"band_gap":2.958,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0008322,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.845000Z","spacegroup":15}]}