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O30","formula_reduced":"Ba5Li2(TeO5)3","formula_anonymous":"A2B3C5D15","energy":-316.24023147,"energy_per_atom":-6.324804629400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.63023147,"band_gap":1.2111999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010106,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.961000Z","spacegroup":87},{"id":"mp-771946","created_at":"2022-09-04T14:40:16.960845Z","structure_string":"Mn3 Co3 Te2 O16\n1.0\n2.869984 4.935570 0.000000\n-2.869984 4.935570 0.000000\n0.000000 0.015065 9.353138\nMn Co Te O\n3 3 2 16\ndirect\n0.166146 0.166146 0.214374 Mn\n0.829036 0.337634 0.716777 Mn\n0.337634 0.829036 0.716777 Mn\n0.660130 0.168127 0.216276 Co\n0.168127 0.660130 0.216276 Co\n0.827285 0.827285 0.712457 Co\n0.333849 0.333849 0.489128 Te\n0.670913 0.670913 0.998465 Te\n0.677047 0.159161 0.598158 O\n0.483229 0.483229 0.329059 O\n0.331367 0.331367 0.111123 O\n0.999140 0.999140 0.313045 O\n0.998518 0.998518 0.811398 O\n0.159161 0.677047 0.598158 O\n0.486291 0.030197 0.335773 O\n0.030197 0.486291 0.335773 O\n0.846548 0.846548 0.100721 O\n0.163009 0.163009 0.597397 O\n0.970615 0.512299 0.829483 O\n0.512299 0.970615 0.829483 O\n0.662212 0.662212 0.609345 O\n0.840962 0.317403 0.102301 O\n0.514120 0.514120 0.833195 O\n0.317403 0.840962 0.102301 O\n","nsites":24,"nelements":4,"elements":["Mn","Co","Te","O"],"chemical_system":"Co-Mn-O-Te","density":5.344342196743407,"density_atomic":0.09057474344148894,"volume":264.97452919095423,"volume_molar":6.648807969177731,"formula_full":"Mn3 Co3 Te2 O16","formula_reduced":"Mn3Co3(TeO8)2","formula_anonymous":"A2B3C3D16","energy":-169.16762517,"energy_per_atom":-7.04865104875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.25762517,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.00388,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.590000Z","spacegroup":8}]}