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0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n","nsites":20,"nelements":5,"elements":["Na","Nd","Ti","Mn","O"],"chemical_system":"Mn-Na-Nd-O-Ti","density":5.728489056433703,"density_atomic":0.0815311425869986,"volume":245.30503762606793,"volume_molar":7.386307328606387,"formula_full":"Na1 Nd3 Ti3 Mn1 O12","formula_reduced":"NaNd3Ti3MnO12","formula_anonymous":"ABC3D3E12","energy":-175.88603215,"energy_per_atom":-8.7943016075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.97403215,"band_gap":1.0561999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0172513,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.519000Z","spacegroup":1}]}