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K\n0.514087 0.514087 0.991358 Ba\n0.908553 0.908553 0.100927 Ni\n0.775799 0.775799 0.426643 N\n0.785057 0.785057 0.011750 N\n0.830267 0.136158 0.022116 N\n0.136158 0.830267 0.022116 N\n0.233850 0.233850 0.026186 N\n0.226368 0.226368 0.526606 N\n0.830169 0.631735 0.003272 O\n0.827239 0.628837 0.540492 O\n0.628837 0.827239 0.540492 O\n0.631735 0.830169 0.003272 O\n0.200180 0.693468 0.109149 O\n0.693468 0.200180 0.109149 O\n0.204637 0.406500 0.924609 O\n0.406500 0.204637 0.924609 O\n0.394731 0.193102 0.497000 O\n0.193102 0.394731 0.497000 O\n0.097618 0.097618 0.230609 O\n0.096751 0.096751 0.572080 O\n","nsites":22,"nelements":5,"elements":["K","Ba","Ni","N","O"],"chemical_system":"Ba-K-N-Ni-O","density":2.487977912828155,"density_atomic":0.059904583459881665,"volume":367.250696513623,"volume_molar":10.05288813005945,"formula_full":"K2 Ba1 Ni1 N6 O12","formula_reduced":"K2BaNi(NO2)6","formula_anonymous":"ABC2D6E12","energy":-141.51001509,"energy_per_atom":-6.432273413181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.72501509,"band_gap":1.929,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001276,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.517000Z","spacegroup":8}]}