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0.947277 Mn\n0.333333 0.666667 0.552723 Mn\n0.666667 0.333333 0.184684 Mn\n0.333333 0.666667 0.684684 Mn\n0.666667 0.333333 0.315316 Mn\n0.666667 0.333333 0.447277 Mn\n0.963924 0.481962 0.250000 O\n0.500000 0.500000 0.500000 O\n0.372553 0.186276 0.120530 O\n0.036076 0.518038 0.750000 O\n0.813724 0.627447 0.120530 O\n0.186276 0.372553 0.879470 O\n0.186276 0.813724 0.879470 O\n0.627447 0.813724 0.879470 O\n0.627447 0.813724 0.620530 O\n0.500000 0.000000 0.500000 O\n0.481962 0.963924 0.750000 O\n0.518038 0.036076 0.250000 O\n0.186276 0.813724 0.620530 O\n0.186276 0.372553 0.620530 O\n0.500000 0.000000 0.000000 O\n0.372553 0.186276 0.379470 O\n0.481962 0.518038 0.750000 O\n0.813724 0.186276 0.379470 O\n0.518038 0.481962 0.250000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.813724 0.186276 0.120530 O\n0.813724 0.627447 0.379470 O\n0.500000 0.500000 0.000000 O\n","nsites":40,"nelements":3,"elements":["Ba","Mn","O"],"chemical_system":"Ba-Mn-O","density":5.739999491773087,"density_atomic":0.07193585709235643,"volume":556.0509267116275,"volume_molar":8.371542375964662,"formula_full":"Ba8 Mn8 O24","formula_reduced":"BaMnO3","formula_anonymous":"ABC3","energy":-306.10467823,"energy_per_atom":-7.65261695575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.27267823,"band_gap":0.7368999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000234,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.453000Z","spacegroup":194},{"id":"mp-1095090","created_at":"2022-09-04T14:43:24.637991Z","structure_string":"Ba1 Mn2 O5\n1.0\n0.000000 4.147138 0.000000\n0.000000 0.000000 3.850145\n6.120105 -2.073569 0.000000\nBa Mn O\n1 2 5\ndirect\n0.991390 0.000000 0.000000 Ba\n0.656176 0.500000 0.328545 Mn\n0.327631 0.500000 0.671455 Mn\n0.491390 0.500000 0.000000 O\n0.814943 0.500000 0.642036 O\n0.172907 0.500000 0.357964 O\n0.638121 0.000000 0.290680 O\n0.347441 0.000000 0.709320 O\n","nsites":8,"nelements":3,"elements":["Ba","Mn","O"],"chemical_system":"Ba-Mn-O","density":5.560041917825055,"density_atomic":0.08186637130133788,"volume":97.72022226993786,"volume_molar":7.356061670100657,"formula_full":"Ba1 Mn2 O5","formula_reduced":"BaMn2O5","formula_anonymous":"AB2C5","energy":-61.4407027,"energy_per_atom":-7.6800878375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.6697027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0006845,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.518000Z","spacegroup":65},{"id":"mp-1029775","created_at":"2022-09-04T14:43:24.886798Z","structure_string":"Ba4 Mn4 N8\n1.0\n2.906661 -5.733241 0.000000\n2.906661 5.733241 0.000000\n0.000000 0.000000 7.794739\nBa Mn N\n4 4 8\ndirect\n0.843476 0.156524 0.559746 Ba\n0.156524 0.843476 0.440254 Ba\n0.656524 0.343476 0.059746 Ba\n0.343476 0.656524 0.940254 Ba\n0.549729 0.450271 0.633764 Mn\n0.450271 0.549729 0.366236 Mn\n0.950271 0.049729 0.133764 Mn\n0.049729 0.950271 0.866236 Mn\n0.889582 0.110418 0.915109 N\n0.110418 0.889582 0.084891 N\n0.610418 0.389582 0.415109 N\n0.389582 0.610418 0.584891 N\n0.335150 0.164850 0.750000 N\n0.164850 0.335150 0.250000 N\n0.664850 0.835150 0.250000 N\n0.835150 0.664850 0.750000 N\n","nsites":16,"nelements":3,"elements":["Ba","Mn","N"],"chemical_system":"Ba-Mn-N","density":5.631900012706614,"density_atomic":0.061587677604108194,"volume":259.792228290367,"volume_molar":9.778158544491527,"formula_full":"Ba4 Mn4 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