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0.231955 0.250000 N\n0.231956 0.521858 0.750000 N\n0.478142 0.768044 0.750000 N\n0.768045 0.478142 0.250000 N\n0.644808 0.355192 0.164900 N\n0.355192 0.644808 0.835100 N\n0.644808 0.355192 0.335100 N\n0.355192 0.644808 0.664900 N\n0.363947 0.636053 0.250000 O\n0.636053 0.363947 0.750000 O\n","nsites":20,"nelements":4,"elements":["Co","Br","N","O"],"chemical_system":"Br-Co-N-O","density":1.8852795072624233,"density_atomic":0.035615127218066124,"volume":561.5591340596084,"volume_molar":16.90894075185336,"formula_full":"Co2 Br4 N12 O2","formula_reduced":"CoBr2N6O","formula_anonymous":"ABC2D6","energy":-113.04516911,"energy_per_atom":-5.6522584555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.06316911000002,"band_gap":0.0002999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998838,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.675000Z","spacegroup":63}]}