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Sr\n0.666667 0.333333 0.320424 Nb\n0.333333 0.666667 0.679576 Nb\n0.000000 0.000000 0.000000 Zn\n0.660558 0.830279 0.828554 O\n0.339442 0.169721 0.171446 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.169721 0.339442 0.828554 O\n0.830279 0.660558 0.171446 O\n0.500000 0.500000 0.500000 O\n0.169721 0.830279 0.828554 O\n0.830279 0.169721 0.171446 O\n","nsites":15,"nelements":4,"elements":["Sr","Nb","Zn","O"],"chemical_system":"Nb-O-Sr-Zn","density":5.403371351929059,"density_atomic":0.07417041132836022,"volume":202.23698010239448,"volume_molar":8.11933040702626,"formula_full":"Sr3 Nb2 Zn1 O9","formula_reduced":"Sr3Nb2ZnO9","formula_anonymous":"AB2C3D9","energy":-117.13275888,"energy_per_atom":-7.808850592,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.94975888,"band_gap":2.6769,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008057,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.773000Z","spacegroup":164}]}