{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=10121","results":[{"id":"mp-777888","created_at":"2022-09-04T14:40:54.106716Z","structure_string":"Li4 Fe4 F12\n1.0\n6.105144 0.000000 0.000000\n-0.018442 6.111703 0.000000\n-0.005191 -0.010330 6.126751\nLi Fe F\n4 4 12\ndirect\n0.879735 0.119001 0.121682 Li\n0.619480 0.879416 0.623894 Li\n0.374907 0.377000 0.877591 Li\n0.122696 0.625562 0.379775 Li\n0.159476 0.835034 0.835437 Fe\n0.665468 0.658871 0.161064 Fe\n0.834945 0.337837 0.658023 Fe\n0.340545 0.162223 0.333928 Fe\n0.623588 0.987011 0.268563 F\n0.484430 0.730458 0.876547 F\n0.272519 0.877631 0.508857 F\n0.769047 0.630885 0.488399 F\n0.987328 0.766276 0.127080 F\n0.127685 0.511872 0.731609 F\n0.371129 0.488088 0.230919 F\n0.510728 0.230277 0.630080 F\n0.735961 0.376879 0.983622 F\n0.231286 0.125339 0.012072 F\n0.010068 0.270851 0.379896 F\n0.878980 0.009488 0.770964 F\n","nsites":20,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.480241645023156,"density_atomic":0.08748661473020478,"volume":228.6063995238233,"volume_molar":6.883499582846305,"formula_full":"Li4 Fe4 F12","formula_reduced":"LiFeF3","formula_anonymous":"ABC3","energy":-120.16157035999998,"energy_per_atom":-6.008078518,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.59357036,"band_gap":3.5865,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.734000Z","spacegroup":146},{"id":"mp-1163934","created_at":"2022-09-04T14:42:07.292724Z","structure_string":"Ca12 V8 Si12 O48\n1.0\n-6.114524 6.114524 6.114524\n6.114524 -6.114524 6.114524\n6.114524 6.114524 -6.114524\nCa V Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.250000 0.875000 0.625000 Ca\n0.125000 0.250000 0.375000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.587818 0.892108 0.383573 O\n0.383573 0.587818 0.892108 O\n0.295755 0.304291 0.912182 O\n0.491464 0.607892 0.195709 O\n0.304291 0.892108 0.008536 O\n0.116427 0.008536 0.204245 O\n0.383573 0.295755 0.491464 O\n0.892108 0.383573 0.587818 O\n0.195709 0.204245 0.587818 O\n0.491464 0.383573 0.295755 O\n0.892108 0.008536 0.304291 O\n0.607892 0.912182 0.116427 O\n0.912182 0.116427 0.607892 O\n0.295755 0.491464 0.383573 O\n0.587818 0.195709 0.204245 O\n0.204245 0.587818 0.195709 O\n0.008536 0.304291 0.892108 O\n0.912182 0.295755 0.304291 O\n0.008536 0.204245 0.116427 O\n0.804291 0.795755 0.412182 O\n0.195709 0.491464 0.607892 O\n0.607892 0.195709 0.491464 O\n0.204245 0.116427 0.008536 O\n0.116427 0.607892 0.912182 O\n0.412182 0.107892 0.616427 O\n0.616427 0.412182 0.107892 O\n0.704245 0.695709 0.087818 O\n0.508536 0.392108 0.804291 O\n0.695709 0.107892 0.991464 O\n0.883573 0.991464 0.795755 O\n0.616427 0.704245 0.508536 O\n0.107892 0.616427 0.412182 O\n0.883573 0.392108 0.087818 O\n0.795755 0.883573 0.991464 O\n0.392108 0.804291 0.508536 O\n0.695709 0.087818 0.704245 O\n0.804291 0.508536 0.392108 O\n0.991464 0.795755 0.883573 O\n0.087818 0.704245 0.695709 O\n0.991464 0.695709 0.107892 O\n0.795755 0.412182 0.804291 O\n0.412182 0.804291 0.795755 O\n0.704245 0.508536 0.616427 O\n0.087818 0.883573 0.392108 O\n0.392108 0.087818 0.883573 O\n0.107892 0.991464 0.695709 O\n0.508536 0.616427 0.704245 O\n0.304291 0.912182 0.295755 O\n","nsites":80,"nelements":4,"elements":["Ca","V","Si","O"],"chemical_system":"Ca-O-Si-V","density":3.620010271177859,"density_atomic":0.08748669969543496,"volume":914.4247100245157,"volume_molar":6.883492897737272,"formula_full":"Ca12 V8 Si12 O48","formula_reduced":"Ca3V2(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-658.3424911500001,"energy_per_atom":-8.229281139375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-611.76649115,"band_gap":1.8973000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0006476,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.086000Z","spacegroup":230},{"id":"mp-973935","created_at":"2022-09-04T14:43:13.873726Z","structure_string":"Os1 N2\n1.0\n1.412095 -2.445819 0.000000\n1.412095 2.445819 0.000000\n0.000000 0.000000 4.964323\nOs N\n1 2\ndirect\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.383567 N\n0.000000 0.000000 0.616433 N\n","nsites":3,"nelements":2,"elements":["Os","N"],"chemical_system":"N-Os","density":10.568466136844435,"density_atomic":0.08748689405777892,"volume":34.290850444624446,"volume_molar":6.8834776052545665,"formula_full":"Os1 N2","formula_reduced":"OsN2","formula_anonymous":"AB2","energy":-27.71643273,"energy_per_atom":-9.23881091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.99443273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010821,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.327000Z","spacegroup":191},{"id":"mp-1246375","created_at":"2022-09-04T14:39:17.937653Z","structure_string":"Ta4 C6 N12\n1.0\n10.673052 -0.570044 -0.346328\n1.601420 5.078163 -0.003868\n-28.814945 9.071093 5.567868\nTa C N\n4 6 12\ndirect\n0.004272 0.997561 0.334053 Ta\n0.996021 0.004880 0.831326 Ta\n0.995722 0.002437 0.665946 Ta\n0.003966 0.995122 0.168670 Ta\n0.993427 0.337894 0.581192 C\n0.005003 0.332328 0.918446 C\n0.997816 0.332022 0.249227 C\n0.994993 0.667676 0.081553 C\n0.002186 0.667977 0.750774 C\n0.006578 0.662105 0.418810 C\n0.945488 0.709395 0.105148 N\n0.076372 0.636085 0.815630 N\n0.983121 0.653255 0.451089 N\n0.943850 0.346108 0.604741 N\n0.983194 0.364121 0.951260 N\n0.074086 0.290171 0.314759 N\n0.054514 0.290615 0.894852 N\n0.923650 0.363901 0.184377 N\n0.016850 0.346757 0.548901 N\n0.056141 0.653905 0.395256 N\n0.016846 0.635858 0.048753 N\n0.925904 0.709828 0.685238 N\n","nsites":22,"nelements":3,"elements":["Ta","C","N"],"chemical_system":"C-N-Ta","density":6.365407703872984,"density_atomic":0.0874886176499633,"volume":251.461282518152,"volume_molar":6.883341995520175,"formula_full":"Ta4 C6 N12","formula_reduced":"Ta2(CN2)3","formula_anonymous":"A2B3C6","energy":-208.87940124,"energy_per_atom":-9.494518238181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.54740124,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.930625,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.536000Z","spacegroup":167},{"id":"mp-1222204","created_at":"2022-09-04T14:44:25.960324Z","structure_string":"Na12 As16 H20 O56\n1.0\n9.646391 0.000000 0.000000\n0.000000 10.228057 0.000000\n0.000000 0.000000 12.048232\nNa As H O\n12 16 20 56\ndirect\n0.874736 0.925516 0.642254 Na\n0.882916 0.086872 0.358026 Na\n0.117084 0.913128 0.858026 Na\n0.125264 0.074484 0.142254 Na\n0.617084 0.586872 0.358026 Na\n0.625264 0.425516 0.642254 Na\n0.374736 0.574484 0.142254 Na\n0.382916 0.413128 0.858026 Na\n0.993384 0.540309 0.742447 Na\n0.006616 0.459691 0.242447 Na\n0.493384 0.959691 0.242447 Na\n0.506616 0.040309 0.742447 Na\n0.794159 0.782991 0.893878 As\n0.795498 0.215397 0.108875 As\n0.204502 0.784603 0.608875 As\n0.205841 0.217009 0.393878 As\n0.704502 0.715397 0.108875 As\n0.705841 0.282991 0.893878 As\n0.294159 0.717009 0.393878 As\n0.295498 0.284603 0.608875 As\n0.471419 0.780895 0.931805 As\n0.469694 0.205503 0.069490 As\n0.530306 0.794497 0.569490 As\n0.528581 0.219105 0.431805 As\n0.030306 0.705503 0.069490 As\n0.028581 0.280895 0.931805 As\n0.971419 0.719105 0.431805 As\n0.969694 0.294497 0.569490 As\n0.834032 0.007842 0.887046 H\n0.835719 0.991109 0.115012 H\n0.164281 0.008891 0.615012 H\n0.165968 0.992158 0.387046 H\n0.664281 0.491109 0.115012 H\n0.665968 0.507842 0.887046 H\n0.334032 0.492158 0.387046 H\n0.335719 0.508891 0.615012 H\n0.727761 0.691075 0.718293 H\n0.731161 0.315752 0.280132 H\n0.268839 0.684248 0.780132 H\n0.272239 0.308925 0.218293 H\n0.768839 0.815752 0.280132 H\n0.772239 0.191075 0.718293 H\n0.227761 0.808925 0.218293 H\n0.231161 0.184248 0.780132 H\n0.366259 0.979559 0.990382 H\n0.633741 0.020441 0.490382 H\n0.133741 0.479559 0.990382 H\n0.866259 0.520441 0.490382 H\n0.865333 0.933753 0.838648 O\n0.868418 0.064722 0.163315 O\n0.131582 0.935278 0.663315 O\n0.134667 0.066247 0.338648 O\n0.631582 0.564722 0.163315 O\n0.634667 0.433753 0.838648 O\n0.365333 0.566247 0.338648 O\n0.368418 0.435278 0.663315 O\n0.395021 0.645799 0.883954 O\n0.390833 0.342829 0.113977 O\n0.609167 0.657171 0.613977 O\n0.604979 0.354201 0.383954 O\n0.109167 0.842829 0.113977 O\n0.104979 0.145799 0.883954 O\n0.895021 0.854201 0.383954 O\n0.890833 0.157171 0.613977 O\n0.610512 0.842917 0.853083 O\n0.615086 0.157808 0.150214 O\n0.384914 0.842192 0.650214 O\n0.389488 0.157083 0.353083 O\n0.884914 0.657808 0.150214 O\n0.889488 0.342917 0.853083 O\n0.110512 0.657083 0.353083 O\n0.115086 0.342192 0.650214 O\n0.352281 0.909603 0.924580 O\n0.365346 0.071176 0.078606 O\n0.634654 0.928824 0.578606 O\n0.647719 0.090397 0.424580 O\n0.134654 0.571176 0.078606 O\n0.147719 0.409603 0.924580 O\n0.852281 0.590397 0.424580 O\n0.865346 0.428824 0.578606 O\n0.977232 0.721116 0.929245 O\n0.982704 0.273336 0.073114 O\n0.017296 0.726664 0.573114 O\n0.022768 0.278884 0.429245 O\n0.517296 0.773336 0.073114 O\n0.522768 0.221116 0.929245 O\n0.477232 0.778884 0.429245 O\n0.482704 0.226664 0.573114 O\n0.815832 0.699762 0.762714 O\n0.820858 0.300257 0.239300 O\n0.179142 0.699743 0.739300 O\n0.184168 0.300238 0.262714 O\n0.679142 0.800257 0.239300 O\n0.684168 0.199762 0.762714 O\n0.315832 0.800238 0.262714 O\n0.320858 0.199743 0.739300 O\n0.715122 0.641817 0.965682 O\n0.721273 0.357747 0.035927 O\n0.278727 0.642253 0.535927 O\n0.284878 0.358183 0.465682 O\n0.778727 0.857747 0.035927 O\n0.784878 0.141817 0.965682 O\n0.215122 0.858183 0.465682 O\n0.221273 0.142253 0.535927 O\n","nsites":104,"nelements":4,"elements":["Na","As","H","O"],"chemical_system":"As-H-Na-O","density":3.3396548224098535,"density_atomic":0.08748871073171736,"volume":1188.724798093256,"volume_molar":6.883334672134774,"formula_full":"Na12 As16 H20 O56","formula_reduced":"Na3As4H5O14","formula_anonymous":"A3B4C5D14","energy":-611.73434304,"energy_per_atom":-5.882060990769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-573.26234304,"band_gap":3.1313,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.29e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.087000Z","spacegroup":33},{"id":"mp-1178344","created_at":"2022-09-04T14:43:14.000639Z","structure_string":"Fe10 O11 F9\n1.0\n4.701975 0.000000 0.000000\n0.034020 4.704530 0.000000\n0.044711 0.073862 15.501427\nFe O F\n10 11 9\ndirect\n0.989139 0.034241 0.004520 Fe\n0.027277 0.970511 0.188743 Fe\n0.009396 0.010538 0.404149 Fe\n0.002559 0.042031 0.601628 Fe\n0.006431 0.038319 0.802234 Fe\n0.504973 0.502921 0.101410 Fe\n0.494722 0.469913 0.493734 Fe\n0.492823 0.513156 0.305645 Fe\n0.506451 0.462428 0.698298 Fe\n0.499355 0.460315 0.900703 Fe\n0.205360 0.201767 0.100706 O\n0.189337 0.191505 0.499606 O\n0.190609 0.197359 0.701205 O\n0.184086 0.195732 0.903269 O\n0.685038 0.317300 0.003983 O\n0.699325 0.299488 0.394976 O\n0.686968 0.308444 0.597056 O\n0.688182 0.304153 0.800525 O\n0.325175 0.681351 0.200993 O\n0.300308 0.699395 0.399364 O\n0.805514 0.801773 0.097992 O\n0.197048 0.187293 0.296206 F\n0.710527 0.293476 0.204322 F\n0.297317 0.702510 0.997207 F\n0.295076 0.699749 0.601302 F\n0.297517 0.697997 0.800578 F\n0.798833 0.802248 0.502081 F\n0.817840 0.807138 0.297582 F\n0.794121 0.803559 0.899447 F\n0.798694 0.803390 0.700534 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.3846534554985785,"density_atomic":0.0874889123124981,"volume":342.9005939957765,"volume_molar":6.883318812433924,"formula_full":"Fe10 O11 F9","formula_reduced":"Fe10O11F9","formula_anonymous":"A9B10C11","energy":-215.15665954,"energy_per_atom":-7.171888651333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.88165954,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":49.000914,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.775000Z","spacegroup":1},{"id":"mp-1031470","created_at":"2022-09-04T14:46:41.384885Z","structure_string":"Mg6 V1 Bi1 O8\n1.0\n8.829297 0.000000 0.000000\n0.000000 4.551140 0.000000\n0.000000 0.000000 4.551140\nMg V Bi O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265129 0.000000 0.500000 Mg\n0.734871 0.000000 0.500000 Mg\n0.265129 0.500000 0.000000 Mg\n0.734871 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Bi\n0.257722 0.000000 0.000000 O\n0.742278 0.000000 0.000000 O\n0.274232 0.500000 0.500000 O\n0.725768 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","V","Bi","O"],"chemical_system":"Bi-Mg-O-V","density":4.84638720547314,"density_atomic":0.08748900275477497,"volume":182.8801277441324,"volume_molar":6.883311696762167,"formula_full":"Mg6 V1 Bi1 O8","formula_reduced":"Mg6VBiO8","formula_anonymous":"ABC6D8","energy":-100.77898827,"energy_per_atom":-6.298686766875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.58298827,"band_gap":0.1001999999999991,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.7748433,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.773000Z","spacegroup":123},{"id":"mp-10371","created_at":"2022-09-04T14:47:24.277043Z","structure_string":"Cr4 Ga2 N2\n1.0\n1.470065 -2.546227 0.000000\n1.470065 2.546227 0.000000\n0.000000 0.000000 12.214343\nCr Ga N\n4 2 2\ndirect\n0.666667 0.333333 0.580045 Cr\n0.333333 0.666667 0.419955 Cr\n0.333333 0.666667 0.080045 Cr\n0.666667 0.333333 0.919955 Cr\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.750000 Ga\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n","nsites":8,"nelements":3,"elements":["Cr","Ga","N"],"chemical_system":"Cr-Ga-N","density":6.818051388298378,"density_atomic":0.08748955808232381,"volume":91.43948346924273,"volume_molar":6.883268005918412,"formula_full":"Cr4 Ga2 N2","formula_reduced":"Cr2GaN","formula_anonymous":"ABC2","energy":-64.47080872,"energy_per_atom":-8.05885109,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.74880872,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.032826,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.990000Z","spacegroup":194},{"id":"mp-1214903","created_at":"2022-09-04T14:47:29.372142Z","structure_string":"Al12 Fe4 Si4 B4 O36\n1.0\n5.833527 0.000000 0.000000\n0.000000 10.461323 0.000000\n0.000000 0.000000 11.237627\nAl Fe Si B O\n12 4 4 4 36\ndirect\n0.250000 0.273270 0.052007 Al\n0.750000 0.726730 0.947993 Al\n0.750000 0.773270 0.447993 Al\n0.250000 0.226730 0.552007 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.406408 0.281325 Fe\n0.750000 0.593592 0.718675 Fe\n0.750000 0.906408 0.218675 Fe\n0.250000 0.093592 0.781325 Fe\n0.250000 0.065040 0.236324 Si\n0.750000 0.934960 0.763676 Si\n0.750000 0.565040 0.263676 Si\n0.250000 0.434960 0.736324 Si\n0.250000 0.748987 0.000068 B\n0.750000 0.251013 0.999932 B\n0.750000 0.248987 0.499932 B\n0.250000 0.751013 0.500068 B\n0.045820 0.680961 0.000953 O\n0.954180 0.319039 0.999047 O\n0.954180 0.180961 0.499047 O\n0.545820 0.319039 0.999047 O\n0.045820 0.819039 0.500953 O\n0.454180 0.680961 0.000953 O\n0.454180 0.819039 0.500953 O\n0.545820 0.180961 0.499047 O\n0.024503 0.006070 0.169540 O\n0.975497 0.993930 0.830460 O\n0.975497 0.506070 0.330460 O\n0.524503 0.993930 0.830460 O\n0.024503 0.493930 0.669540 O\n0.475497 0.006070 0.169540 O\n0.475497 0.493930 0.669540 O\n0.524503 0.506070 0.330460 O\n0.250000 0.452838 0.095836 O\n0.750000 0.547162 0.904164 O\n0.750000 0.952838 0.404164 O\n0.250000 0.047162 0.595836 O\n0.250000 0.221904 0.208342 O\n0.750000 0.778096 0.791658 O\n0.750000 0.721904 0.291658 O\n0.250000 0.278096 0.708342 O\n0.250000 0.025908 0.378222 O\n0.750000 0.974092 0.621778 O\n0.750000 0.525908 0.121778 O\n0.250000 0.474092 0.878222 O\n0.250000 0.382502 0.480800 O\n0.750000 0.617498 0.519200 O\n0.750000 0.882502 0.019200 O\n0.250000 0.117498 0.980800 O\n0.250000 0.621588 0.495774 O\n0.750000 0.378412 0.504226 O\n0.750000 0.121588 0.004226 O\n0.250000 0.878412 0.995774 O\n","nsites":60,"nelements":5,"elements":["Al","Fe","Si","B","O"],"chemical_system":"Al-B-Fe-O-Si","density":3.0962291222849307,"density_atomic":0.08749008002903787,"volume":685.7920347093758,"volume_molar":6.883226941844444,"formula_full":"Al12 Fe4 Si4 B4 O36","formula_reduced":"Al3FeSiBO9","formula_anonymous":"ABCD3E9","energy":-482.76087579,"energy_per_atom":-8.0460145965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-449.00487579,"band_gap":3.9052,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.533000Z","spacegroup":62},{"id":"mp-1046254","created_at":"2022-09-04T14:47:03.385479Z","structure_string":"Mg4 V4 O8\n1.0\n2.925410 0.000000 0.000000\n1.370628 7.885005 0.000000\n1.458456 0.410927 7.928129\nMg V O\n4 4 8\ndirect\n0.185263 0.187492 0.965490 Mg\n0.814737 0.812508 0.034510 Mg\n0.940896 0.404075 0.251456 Mg\n0.059104 0.595925 0.748544 Mg\n0.445496 0.913802 0.688796 V\n0.828095 0.241832 0.620909 V\n0.171905 0.758168 0.379091 V\n0.554504 0.086198 0.311204 V\n0.184076 0.954301 0.172778 O\n0.616182 0.688500 0.565066 O\n0.383818 0.311500 0.434934 O\n0.815924 0.045699 0.827222 O\n0.432483 0.718583 0.885821 O\n0.209367 0.349187 0.759764 O\n0.567517 0.281417 0.114179 O\n0.790633 0.650813 0.240236 O\n","nsites":16,"nelements":3,"elements":["Mg","V","O"],"chemical_system":"Mg-O-V","density":3.8951836134576943,"density_atomic":0.08749043180221053,"volume":182.87714062460194,"volume_molar":6.8831992664229205,"formula_full":"Mg4 V4 O8","formula_reduced":"MgVO2","formula_anonymous":"ABC2","energy":-119.55812743,"energy_per_atom":-7.472382964375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.26212743,"band_gap":0.4931999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5625254,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.443000Z","spacegroup":2},{"id":"mp-850285","created_at":"2022-09-04T14:47:19.436207Z","structure_string":"Ni6 O1 F11\n1.0\n4.697763 0.000000 0.000000\n0.041875 5.633763 0.000000\n0.044714 0.488641 7.773586\nNi O F\n6 1 11\ndirect\n0.511158 0.494317 0.996640 Ni\n0.497637 0.167858 0.334791 Ni\n0.499260 0.832329 0.665845 Ni\n0.003364 0.665619 0.331291 Ni\n0.991843 0.334534 0.673353 Ni\n0.994362 0.006576 0.998805 Ni\n0.804904 0.296342 0.899171 O\n0.803955 0.631437 0.564711 F\n0.803673 0.964688 0.232480 F\n0.696634 0.797781 0.897969 F\n0.694754 0.465462 0.233199 F\n0.697103 0.129597 0.565185 F\n0.303782 0.868587 0.433521 F\n0.304404 0.535052 0.767889 F\n0.303434 0.203394 0.101964 F\n0.198774 0.035661 0.767581 F\n0.192611 0.368033 0.439088 F\n0.198348 0.702731 0.096517 F\n","nsites":18,"nelements":3,"elements":["Ni","O","F"],"chemical_system":"F-Ni-O","density":4.6582293855970605,"density_atomic":0.0874906053173055,"volume":205.73637517672574,"volume_molar":6.883185615368957,"formula_full":"Ni6 O1 F11","formula_reduced":"Ni6OF11","formula_anonymous":"AB6C11","energy":-99.4973081,"energy_per_atom":-5.527628227777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.4823081,"band_gap":0.8731000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0029428,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.417000Z","spacegroup":1},{"id":"mp-759922","created_at":"2022-09-04T14:43:09.918676Z","structure_string":"In2 Fe22 O32\n1.0\n6.136621 -8.536577 0.000000\n6.136621 8.536577 0.000000\n0.000000 0.000000 6.109170\nIn Fe O\n2 22 32\ndirect\n0.813106 0.186894 0.750000 In\n0.186894 0.813106 0.250000 In\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.312541 0.187372 0.250000 Fe\n0.812628 0.687459 0.250000 Fe\n0.251904 0.001454 0.750000 Fe\n0.998546 0.748096 0.750000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.314129 0.685871 0.750000 Fe\n0.505453 0.747577 0.250000 Fe\n0.252423 0.494547 0.250000 Fe\n0.748096 0.998546 0.250000 Fe\n0.001454 0.251904 0.250000 Fe\n0.187372 0.312541 0.750000 Fe\n0.687459 0.812628 0.750000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.747577 0.505453 0.750000 Fe\n0.494547 0.252423 0.750000 Fe\n0.685871 0.314129 0.250000 Fe\n0.884870 0.115130 0.482685 O\n0.884870 0.115130 0.017315 O\n0.118453 0.114858 0.250000 O\n0.885142 0.881547 0.250000 O\n0.114858 0.118453 0.750000 O\n0.881547 0.885142 0.750000 O\n0.115130 0.884870 0.517315 O\n0.115130 0.884870 0.982685 O\n0.381128 0.125945 0.508952 O\n0.874055 0.618872 0.991048 O\n0.874055 0.618872 0.508952 O\n0.381128 0.125945 0.991048 O\n0.603870 0.122982 0.750000 O\n0.375989 0.879119 0.750000 O\n0.120881 0.624011 0.750000 O\n0.877018 0.396130 0.750000 O\n0.396130 0.877018 0.250000 O\n0.624011 0.120881 0.250000 O\n0.122982 0.603870 0.250000 O\n0.879119 0.375989 0.250000 O\n0.618872 0.874055 0.008952 O\n0.125945 0.381128 0.008952 O\n0.618872 0.874055 0.491048 O\n0.125945 0.381128 0.491048 O\n0.378582 0.621418 0.479875 O\n0.378582 0.621418 0.020125 O\n0.371935 0.380347 0.250000 O\n0.619653 0.628065 0.250000 O\n0.628065 0.619653 0.750000 O\n0.380347 0.371935 0.750000 O\n0.621418 0.378582 0.520125 O\n0.621418 0.378582 0.979875 O\n","nsites":56,"nelements":3,"elements":["In","Fe","O"],"chemical_system":"Fe-In-O","density":5.111350244645392,"density_atomic":0.08749087440074467,"volume":640.0667542022344,"volume_molar":6.883164445718173,"formula_full":"In2 Fe22 O32","formula_reduced":"InFe11O16","formula_anonymous":"AB11C16","energy":-439.83097818,"energy_per_atom":-7.854124610357142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.21497818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":102.0002782,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.202000Z","spacegroup":63}]}