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0.074277 O\n0.284203 0.277208 0.574279 O\n0.284210 0.222787 0.074278 O\n0.284205 0.722790 0.574280 O\n0.784200 0.000003 0.148539 O\n0.784207 0.500003 0.648539 O\n0.784207 0.722789 0.425723 O\n0.784200 0.222793 0.925721 O\n0.784209 0.277213 0.425722 O\n0.784202 0.777209 0.925719 O\n","nsites":20,"nelements":3,"elements":["Ba","Mn","O"],"chemical_system":"Ba-Mn-O","density":5.545244709364895,"density_atomic":0.06949511607566324,"volume":287.7900078363043,"volume_molar":8.665559682558637,"formula_full":"Ba4 Mn4 O12","formula_reduced":"BaMnO3","formula_anonymous":"ABC3","energy":-153.34586298,"energy_per_atom":-7.667293149,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.42986298,"band_gap":1.8948,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.264000Z","spacegroup":186},{"id":"mp-1016852","created_at":"2022-09-04T14:43:22.950654Z","structure_string":"Ba1 Mn1 O3\n1.0\n4.033313 0.000000 0.000000\n0.000000 4.033313 0.000000\n0.000000 0.000000 4.033313\nBa Mn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ba","Mn","O"],"chemical_system":"Ba-Mn-O","density":6.080659114987635,"density_atomic":0.07620513307536318,"volume":65.61237804092859,"volume_molar":7.902539523216101,"formula_full":"Ba1 Mn1 O3","formula_reduced":"BaMnO3","formula_anonymous":"ABC3","energy":-37.70590035,"energy_per_atom":-7.54118007,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.97690035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0024338,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.763000Z","spacegroup":221}]}