{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10170","results":[{"id":"mp-1195914","created_at":"2022-09-04T14:47:58.168205Z","structure_string":"K4 Te8 O36\n1.0\n8.801740 0.000000 0.000000\n0.000000 5.430856 0.000000\n0.000000 2.489633 16.444827\nK Te O\n4 8 36\ndirect\n0.100141 0.513703 0.784864 K\n0.600141 0.486297 0.715136 K\n0.899859 0.486297 0.215136 K\n0.399859 0.513703 0.284864 K\n0.799154 0.958747 0.890537 Te\n0.299154 0.041253 0.609463 Te\n0.200846 0.041253 0.109463 Te\n0.700846 0.958747 0.390537 Te\n0.917198 0.863638 0.572868 Te\n0.417198 0.136362 0.927132 Te\n0.082802 0.136362 0.427132 Te\n0.582802 0.863638 0.072868 Te\n0.054431 0.791356 0.484334 O\n0.554431 0.208644 0.015666 O\n0.945569 0.208644 0.515666 O\n0.445569 0.791356 0.984334 O\n0.600226 0.096719 0.857582 O\n0.100226 0.903281 0.642418 O\n0.399774 0.903281 0.142418 O\n0.899774 0.096719 0.357582 O\n0.737292 0.822519 0.503218 O\n0.237292 0.177481 0.996782 O\n0.262708 0.177481 0.496782 O\n0.762708 0.822519 0.003218 O\n0.010608 0.846926 0.892368 O\n0.510608 0.153074 0.607632 O\n0.989392 0.153074 0.107632 O\n0.489392 0.846926 0.392368 O\n0.888547 0.540879 0.631951 O\n0.388547 0.459121 0.868049 O\n0.111453 0.459121 0.368049 O\n0.611453 0.540879 0.131951 O\n0.885180 0.274337 0.913192 O\n0.385180 0.725663 0.586808 O\n0.114820 0.725663 0.086808 O\n0.614820 0.274337 0.413192 O\n0.784801 0.928225 0.658381 O\n0.284801 0.071775 0.841619 O\n0.215199 0.071775 0.341619 O\n0.715199 0.928225 0.158381 O\n0.893569 0.115944 0.788604 O\n0.393569 0.884056 0.711396 O\n0.106431 0.884056 0.211396 O\n0.606431 0.115944 0.288604 O\n0.761943 0.655743 0.847196 O\n0.261943 0.344257 0.652804 O\n0.238057 0.344257 0.152804 O\n0.738057 0.655743 0.347196 O\n","nsites":48,"nelements":3,"elements":["K","Te","O"],"chemical_system":"K-O-Te","density":3.703457730085539,"density_atomic":0.06106257369989582,"volume":786.0788874688702,"volume_molar":9.862245226670284,"formula_full":"K4 Te8 O36","formula_reduced":"KTe2O9","formula_anonymous":"AB2C9","energy":-250.12778225,"energy_per_atom":-5.210995463541667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.39578225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0031776,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.265000Z","spacegroup":14},{"id":"mp-40668","created_at":"2022-09-04T14:47:26.804626Z","structure_string":"Na4 Co4 P8 H4 O28\n1.0\n-0.058856 -0.038433 6.683660\n5.969222 6.508170 3.223857\n-6.130439 6.635299 -1.814744\nNa Co P H O\n4 4 8 4 28\ndirect\n0.752538 0.177734 0.944440 Na\n0.752542 0.679565 0.443374 Na\n0.246874 0.819837 0.056983 Na\n0.248143 0.319990 0.556203 Na\n0.111069 0.965484 0.681741 Co\n0.888770 0.034569 0.320295 Co\n0.108094 0.465273 0.178628 Co\n0.887405 0.534648 0.819383 Co\n0.217677 0.199496 0.946038 P\n0.217346 0.699334 0.445767 P\n0.782605 0.801389 0.053310 P\n0.783951 0.300545 0.554092 P\n0.637363 0.393554 0.226684 P\n0.637870 0.893530 0.726210 P\n0.362062 0.606375 0.773309 P\n0.363948 0.105572 0.273672 P\n0.309071 0.373932 0.825008 H\n0.310540 0.872521 0.325769 H\n0.688047 0.631182 0.172838 H\n0.689638 0.130340 0.674035 H\n0.377082 0.115026 0.098918 O\n0.376826 0.615201 0.599178 O\n0.621756 0.884550 0.900624 O\n0.624086 0.384316 0.401604 O\n0.110590 0.589306 0.375411 O\n0.109613 0.090099 0.875884 O\n0.889946 0.410711 0.624554 O\n0.887960 0.912128 0.123264 O\n0.756737 0.234452 0.188764 O\n0.757882 0.734223 0.688893 O\n0.241246 0.765014 0.811214 O\n0.245629 0.264151 0.311914 O\n0.049923 0.346805 0.981799 O\n0.050186 0.846278 0.481233 O\n0.950133 0.654907 0.018156 O\n0.951605 0.153485 0.519226 O\n0.404847 0.469578 0.145513 O\n0.406317 0.969180 0.643342 O\n0.593189 0.530760 0.857173 O\n0.595735 0.028452 0.356188 O\n0.369360 0.237231 0.856430 O\n0.370158 0.736627 0.356582 O\n0.630720 0.762832 0.143546 O\n0.631646 0.262200 0.643929 O\n0.777627 0.496165 0.217118 O\n0.779017 0.995779 0.718420 O\n0.221550 0.503123 0.781533 O\n0.223081 0.002552 0.281811 O\n","nsites":48,"nelements":5,"elements":["Na","Co","P","H","O"],"chemical_system":"Co-H-Na-O-P","density":3.197013520195139,"density_atomic":0.08994066348721658,"volume":533.6851890893859,"volume_molar":6.695681937965621,"formula_full":"Na4 Co4 P8 H4 O28","formula_reduced":"NaCoP2HO7","formula_anonymous":"ABCD2E7","energy":-339.77402805,"energy_per_atom":-7.078625584375001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.98602805,"band_gap":3.0988000000000007,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.739000Z","spacegroup":2},{"id":"mp-1220410","created_at":"2022-09-04T14:47:26.571690Z","structure_string":"Os8 Se2 S22 Cl16\n1.0\n-9.263523 0.055460 0.000000\n0.000000 0.000000 -11.236124\n0.073854 -12.428399 0.000000\nOs Se S Cl\n8 2 22 16\ndirect\n0.953354 0.370759 0.091850 Os\n0.546646 0.870759 0.408150 Os\n0.448586 0.630626 0.408376 Os\n0.051414 0.130626 0.091624 Os\n0.052334 0.631484 0.907983 Os\n0.447666 0.131484 0.592017 Os\n0.549497 0.368737 0.592252 Os\n0.950503 0.868737 0.907748 Os\n0.799470 0.197856 0.050105 Se\n0.700530 0.697856 0.449894 Se\n0.964741 0.334466 0.266937 S\n0.535259 0.834466 0.233063 S\n0.466539 0.663703 0.234003 S\n0.033461 0.163703 0.265997 S\n0.036083 0.665268 0.732665 S\n0.463917 0.165268 0.767335 S\n0.537248 0.335053 0.767535 S\n0.962752 0.835053 0.732465 S\n0.644379 0.160804 0.171747 S\n0.855621 0.660804 0.328253 S\n0.148410 0.836049 0.343023 S\n0.351590 0.336049 0.156977 S\n0.346150 0.839162 0.842975 S\n0.153850 0.339162 0.657025 S\n0.846029 0.161099 0.656844 S\n0.653971 0.661099 0.843156 S\n0.313443 0.800048 0.436611 S\n0.186557 0.300048 0.063389 S\n0.187046 0.801150 0.937801 S\n0.312954 0.301150 0.562199 S\n0.683537 0.199039 0.562737 S\n0.816463 0.699039 0.937263 S\n0.949259 0.927224 0.103698 Cl\n0.550741 0.427224 0.396302 Cl\n0.442041 0.073222 0.395693 Cl\n0.057959 0.573222 0.104307 Cl\n0.054959 0.071025 0.894537 Cl\n0.445041 0.571025 0.605463 Cl\n0.552846 0.929127 0.604884 Cl\n0.947154 0.429127 0.895116 Cl\n0.731245 0.472898 0.109609 Cl\n0.768755 0.972898 0.390391 Cl\n0.224992 0.532314 0.391994 Cl\n0.275008 0.032314 0.108006 Cl\n0.275049 0.531876 0.893248 Cl\n0.224951 0.031876 0.606752 Cl\n0.774286 0.467011 0.607758 Cl\n0.725714 0.967011 0.892242 Cl\n","nsites":48,"nelements":4,"elements":["Os","Se","S","Cl"],"chemical_system":"Cl-Os-S-Se","density":3.789984553135957,"density_atomic":0.03710639757125119,"volume":1293.5774729366026,"volume_molar":16.229386720811064,"formula_full":"Os8 Se2 S22 Cl16","formula_reduced":"Os4SeS11Cl8","formula_anonymous":"AB4C8D11","energy":-245.70844196,"energy_per_atom":-5.118925874166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.87444196,"band_gap":0.1225,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0015969,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.316000Z","spacegroup":4},{"id":"mp-1048924","created_at":"2022-09-04T14:47:24.872665Z","structure_string":"Fe8 P8 O32\n1.0\n2.505307 8.951000 0.000000\n-2.505307 8.951000 0.000000\n0.000000 7.552621 13.789239\nFe P O\n8 8 32\ndirect\n0.408717 0.798209 0.522988 Fe\n0.201791 0.591283 0.977012 Fe\n0.591283 0.201791 0.477012 Fe\n0.000000 0.500000 0.500000 Fe\n0.798209 0.408717 0.022988 Fe\n0.673181 0.326819 0.250000 Fe\n0.326819 0.673181 0.750000 Fe\n0.500000 0.000000 0.000000 Fe\n0.486154 0.940060 0.644326 P\n0.811273 0.223279 0.878777 P\n0.513846 0.059940 0.355674 P\n0.223279 0.811273 0.378777 P\n0.940060 0.486154 0.144326 P\n0.059940 0.513846 0.855674 P\n0.188727 0.776721 0.121223 P\n0.776721 0.188727 0.621223 P\n0.199013 0.292992 0.402892 O\n0.716802 0.140472 0.571258 O\n0.292992 0.199013 0.902892 O\n0.608492 0.241951 0.949254 O\n0.648758 0.800454 0.443523 O\n0.677538 0.431834 0.787076 O\n0.758049 0.391508 0.550746 O\n0.907873 0.100461 0.360675 O\n0.391508 0.758049 0.050746 O\n0.859528 0.283198 0.928742 O\n0.622092 0.127240 0.363318 O\n0.998126 0.405017 0.239778 O\n0.283198 0.859528 0.428742 O\n0.100461 0.907873 0.860675 O\n0.800987 0.707008 0.597108 O\n0.377908 0.872760 0.636682 O\n0.405017 0.998126 0.739778 O\n0.241951 0.608492 0.449254 O\n0.127240 0.622092 0.863318 O\n0.001874 0.594983 0.760222 O\n0.899539 0.092127 0.139325 O\n0.800454 0.648758 0.943523 O\n0.092127 0.899539 0.639325 O\n0.431834 0.677538 0.287076 O\n0.140472 0.716802 0.071258 O\n0.707008 0.800987 0.097108 O\n0.594983 0.001874 0.260222 O\n0.199546 0.351242 0.056477 O\n0.351242 0.199546 0.556477 O\n0.568166 0.322462 0.712924 O\n0.322462 0.568166 0.212924 O\n0.872760 0.377908 0.136682 O\n","nsites":48,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":3.239550402546963,"density_atomic":0.07761370823940593,"volume":618.4474506995596,"volume_molar":7.759120001616475,"formula_full":"Fe8 P8 O32","formula_reduced":"FePO4","formula_anonymous":"ABC4","energy":-372.61203783,"energy_per_atom":-7.762750788125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.58003783,"band_gap":0.8201,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0047871,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.640000Z","spacegroup":15},{"id":"mp-1195909","created_at":"2022-09-04T14:47:26.479720Z","structure_string":"Ba4 Pr8 Sc8 O28\n1.0\n5.864034 0.000000 0.000000\n0.000000 5.864034 0.000000\n0.000000 0.000000 20.632717\nBa Pr Sc O\n4 8 8 28\ndirect\n0.238521 0.761479 0.500000 Ba\n0.761479 0.238521 0.500000 Ba\n0.261479 0.261479 0.000000 Ba\n0.738521 0.738521 0.000000 Ba\n0.225893 0.774107 0.315759 Pr\n0.774107 0.225893 0.315759 Pr\n0.274107 0.274107 0.815759 Pr\n0.725893 0.725893 0.815759 Pr\n0.774107 0.225893 0.684241 Pr\n0.225893 0.774107 0.684241 Pr\n0.725893 0.725893 0.184241 Pr\n0.274107 0.274107 0.184241 Pr\n0.242647 0.757353 0.101084 Sc\n0.757353 0.242647 0.101084 Sc\n0.257353 0.257353 0.601084 Sc\n0.742647 0.742647 0.601084 Sc\n0.757353 0.242647 0.898916 Sc\n0.242647 0.757353 0.898916 Sc\n0.742647 0.742647 0.398916 Sc\n0.257353 0.257353 0.398916 Sc\n0.283206 0.283206 0.500000 O\n0.716794 0.716794 0.500000 O\n0.216794 0.783206 0.000000 O\n0.783206 0.216794 0.000000 O\n0.312428 0.687572 0.209096 O\n0.687572 0.312428 0.209096 O\n0.187572 0.187572 0.709096 O\n0.812428 0.812428 0.709096 O\n0.687572 0.312428 0.790904 O\n0.312428 0.687572 0.790904 O\n0.812428 0.812428 0.290904 O\n0.187572 0.187572 0.290904 O\n0.000000 0.500000 0.386769 O\n0.500000 0.000000 0.886769 O\n0.000000 0.500000 0.613231 O\n0.500000 0.000000 0.113231 O\n0.500000 0.000000 0.386769 O\n0.000000 0.500000 0.886769 O\n0.500000 0.000000 0.613231 O\n0.000000 0.500000 0.113231 O\n0.500000 0.500000 0.371669 O\n0.000000 0.000000 0.871669 O\n0.500000 0.500000 0.628331 O\n0.000000 0.000000 0.128331 O\n0.500000 0.500000 0.093690 O\n0.000000 0.000000 0.593690 O\n0.500000 0.500000 0.906310 O\n0.000000 0.000000 0.406310 O\n","nsites":48,"nelements":4,"elements":["Ba","Pr","Sc","O"],"chemical_system":"Ba-O-Pr-Sc","density":5.814149852174528,"density_atomic":0.06765374724682165,"volume":709.4950679506526,"volume_molar":8.901414932759572,"formula_full":"Ba4 Pr8 Sc8 O28","formula_reduced":"BaPr2Sc2O7","formula_anonymous":"AB2C2D7","energy":-414.7419034,"energy_per_atom":-8.640456320833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-395.5059034,"band_gap":3.5432999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026184,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.169000Z","spacegroup":136},{"id":"mp-770818","created_at":"2022-09-04T14:47:40.091339Z","structure_string":"Li12 Cu20 O16\n1.0\n6.641752 0.000000 0.000000\n0.000000 7.653353 0.000000\n0.000000 3.838112 12.119801\nLi Cu O\n12 20 16\ndirect\n0.624321 0.932928 0.572055 Li\n0.939692 0.637068 0.921639 Li\n0.280610 0.741129 0.564020 Li\n0.875679 0.932928 0.072055 Li\n0.560308 0.637068 0.421639 Li\n0.219390 0.741129 0.064020 Li\n0.780610 0.258871 0.935980 Li\n0.439692 0.362932 0.578361 Li\n0.124321 0.067072 0.927945 Li\n0.719390 0.258871 0.435980 Li\n0.060308 0.362932 0.078361 Li\n0.375679 0.067072 0.427945 Li\n0.572022 0.965225 0.912163 Cu\n0.328634 0.939650 0.742968 Cu\n0.927978 0.965225 0.412163 Cu\n0.471422 0.673113 0.893327 Cu\n0.171366 0.939650 0.242968 Cu\n0.558564 0.541325 0.729608 Cu\n0.028578 0.673113 0.393327 Cu\n0.326218 0.373258 0.913402 Cu\n0.826218 0.626742 0.586598 Cu\n0.058564 0.458675 0.770392 Cu\n0.941436 0.541325 0.229608 Cu\n0.173782 0.373258 0.413402 Cu\n0.673782 0.626742 0.086598 Cu\n0.971422 0.326887 0.606673 Cu\n0.441436 0.458675 0.270392 Cu\n0.828634 0.060350 0.757032 Cu\n0.528578 0.326887 0.106673 Cu\n0.072022 0.034775 0.587837 Cu\n0.671366 0.060350 0.257032 Cu\n0.427978 0.034775 0.087837 Cu\n0.842937 0.024100 0.905721 O\n0.308729 0.879877 0.898030 O\n0.657063 0.024100 0.405721 O\n0.191271 0.879877 0.398030 O\n0.595537 0.458395 0.881043 O\n0.545976 0.620163 0.576610 O\n0.045976 0.379837 0.923390 O\n0.095537 0.541605 0.618957 O\n0.904463 0.458395 0.381043 O\n0.954024 0.620163 0.076610 O\n0.454024 0.379837 0.423390 O\n0.404463 0.541605 0.118957 O\n0.808729 0.120123 0.601970 O\n0.342937 0.975900 0.594279 O\n0.691271 0.120123 0.101970 O\n0.157063 0.975900 0.094279 O\n","nsites":48,"nelements":3,"elements":["Li","Cu","O"],"chemical_system":"Cu-Li-O","density":4.3400994170032545,"density_atomic":0.07791325496159683,"volume":616.0697563419604,"volume_molar":7.729289147229561,"formula_full":"Li12 Cu20 O16","formula_reduced":"Li3Cu5O4","formula_anonymous":"A3B4C5","energy":-239.75346922,"energy_per_atom":-4.994863942083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.76146922,"band_gap":0.9533999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014178,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.649000Z","spacegroup":14},{"id":"mp-1209201","created_at":"2022-09-04T14:47:27.314812Z","structure_string":"Sm3 Al9 Br36\n1.0\n5.352026 -9.269980 0.000000\n5.352026 9.269980 0.000000\n0.000000 0.000000 18.950520\nSm Al Br\n3 9 36\ndirect\n0.727731 0.000000 0.333333 Sm\n0.000000 0.727731 0.666667 Sm\n0.272269 0.272269 0.000000 Sm\n0.303035 0.630809 0.720232 Al\n0.369191 0.672226 0.053566 Al\n0.630809 0.303035 0.279768 Al\n0.327774 0.696965 0.386899 Al\n0.672226 0.369191 0.946434 Al\n0.696965 0.327774 0.613101 Al\n0.100088 0.000000 0.833333 Al\n0.000000 0.100088 0.166667 Al\n0.899912 0.899912 0.500000 Al\n0.077899 0.198501 0.865880 Br\n0.801499 0.879398 0.199213 Br\n0.198501 0.077899 0.134120 Br\n0.120602 0.922101 0.532546 Br\n0.879398 0.801499 0.800787 Br\n0.922101 0.120602 0.467454 Br\n0.082373 0.587140 0.776464 Br\n0.412860 0.495233 0.109798 Br\n0.587140 0.082373 0.223536 Br\n0.504767 0.917627 0.443131 Br\n0.495233 0.412860 0.890202 Br\n0.917627 0.504767 0.556869 Br\n0.503205 0.275906 0.544222 Br\n0.724094 0.227299 0.877556 Br\n0.275906 0.503205 0.455778 Br\n0.772701 0.496795 0.210889 Br\n0.227299 0.724094 0.122444 Br\n0.496795 0.772701 0.789111 Br\n0.235386 0.522233 0.956549 Br\n0.477767 0.713153 0.289883 Br\n0.522233 0.235386 0.043451 Br\n0.286847 0.764614 0.623216 Br\n0.713153 0.477767 0.710117 Br\n0.764614 0.286847 0.376784 Br\n0.231584 0.024733 0.730495 Br\n0.975267 0.206852 0.063828 Br\n0.024733 0.231584 0.269505 Br\n0.793148 0.768416 0.397162 Br\n0.206852 0.975267 0.936172 Br\n0.768416 0.793148 0.602838 Br\n0.283446 0.419688 0.683057 Br\n0.580312 0.863759 0.016390 Br\n0.419688 0.283446 0.316943 Br\n0.136241 0.716554 0.349723 Br\n0.863759 0.580312 0.983610 Br\n0.716554 0.136241 0.650277 Br\n","nsites":48,"nelements":3,"elements":["Sm","Al","Br"],"chemical_system":"Al-Br-Sm","density":3.1530065200717305,"density_atomic":0.025526607375297952,"volume":1880.390891523231,"volume_molar":23.591622151197473,"formula_full":"Sm3 Al9 Br36","formula_reduced":"Sm(AlBr4)3","formula_anonymous":"AB3C12","energy":-189.71925358,"energy_per_atom":-3.952484449583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.49525358,"band_gap":3.4356,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0612256,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.897000Z","spacegroup":152},{"id":"mp-581225","created_at":"2022-09-04T14:47:26.421684Z","structure_string":"K2 Li2 Nd4 Mo8 O32\n1.0\n6.527393 2.703871 0.000000\n-6.527393 2.703871 0.000000\n0.000000 1.180715 19.887211\nK Li Nd Mo O\n2 2 4 8 32\ndirect\n0.967931 0.032069 0.750000 K\n0.032069 0.967931 0.250000 K\n0.310326 0.689674 0.250000 Li\n0.689674 0.310326 0.750000 Li\n0.853823 0.147356 0.533477 Nd\n0.146177 0.852644 0.466523 Nd\n0.147356 0.853823 0.033477 Nd\n0.852644 0.146177 0.966523 Nd\n0.577647 0.452953 0.907494 Mo\n0.268642 0.758186 0.850909 Mo\n0.452953 0.577647 0.407494 Mo\n0.758186 0.268642 0.350909 Mo\n0.241814 0.731358 0.649091 Mo\n0.731358 0.241814 0.149091 Mo\n0.547047 0.422353 0.592506 Mo\n0.422353 0.547047 0.092506 Mo\n0.504260 0.692287 0.170887 O\n0.692287 0.504260 0.670887 O\n0.410359 0.931661 0.931522 O\n0.766888 0.678143 0.398702 O\n0.061629 0.472458 0.713605 O\n0.233112 0.321857 0.601298 O\n0.261080 0.221127 0.959911 O\n0.819607 0.486716 0.957028 O\n0.513284 0.180393 0.542972 O\n0.256744 0.980575 0.672636 O\n0.527542 0.938371 0.786395 O\n0.495740 0.307713 0.829113 O\n0.931661 0.410359 0.431522 O\n0.743256 0.019425 0.327364 O\n0.472458 0.061629 0.213605 O\n0.738920 0.778873 0.040089 O\n0.019425 0.743256 0.827364 O\n0.585279 0.895354 0.633954 O\n0.778873 0.738920 0.540089 O\n0.414721 0.104646 0.366046 O\n0.678143 0.766888 0.898702 O\n0.589641 0.068339 0.068478 O\n0.307713 0.495740 0.329113 O\n0.104646 0.414721 0.866046 O\n0.980575 0.256744 0.172636 O\n0.938371 0.527542 0.286395 O\n0.068339 0.589641 0.568478 O\n0.895354 0.585279 0.133954 O\n0.321857 0.233112 0.101298 O\n0.221127 0.261080 0.459911 O\n0.486716 0.819607 0.457028 O\n0.180393 0.513284 0.042972 O\n","nsites":48,"nelements":5,"elements":["K","Li","Nd","Mo","O"],"chemical_system":"K-Li-Mo-Nd-O","density":4.609252138222685,"density_atomic":0.06837725009134597,"volume":701.9878678343489,"volume_molar":8.80722864981401,"formula_full":"K2 Li2 Nd4 Mo8 O32","formula_reduced":"KLiNd2(MoO4)4","formula_anonymous":"ABC2D4E16","energy":-391.0807708,"energy_per_atom":-8.147516058333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-343.4807708,"band_gap":3.2028,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.07e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.673000Z","spacegroup":15},{"id":"mp-766500","created_at":"2022-09-04T14:47:24.783878Z","structure_string":"Li10 Mn6 B8 O24\n1.0\n9.175182 0.000000 0.000000\n0.000000 5.308933 0.000000\n0.000000 5.040083 9.787156\nLi Mn B O\n10 6 8 24\ndirect\n0.231254 0.502820 0.339043 Li\n0.918605 0.453813 0.373480 Li\n0.417269 0.541638 0.129244 Li\n0.733779 0.511409 0.149951 Li\n0.744527 0.065643 0.622192 Li\n0.768746 0.502820 0.839043 Li\n0.081395 0.453813 0.873480 Li\n0.255473 0.065643 0.122192 Li\n0.582731 0.541638 0.629244 Li\n0.266221 0.511409 0.649951 Li\n0.579281 0.978195 0.876546 Mn\n0.240827 0.934523 0.889655 Mn\n0.069468 0.025199 0.618277 Mn\n0.420719 0.978195 0.376546 Mn\n0.759173 0.934523 0.389655 Mn\n0.930532 0.025199 0.118277 Mn\n0.571041 0.455969 0.378864 B\n0.910232 0.963751 0.867562 B\n0.073286 0.544041 0.119520 B\n0.415416 0.031046 0.634867 B\n0.089768 0.963751 0.367562 B\n0.428959 0.455969 0.878864 B\n0.584584 0.031046 0.134867 B\n0.926714 0.544041 0.619520 B\n0.581184 0.832729 0.084246 O\n0.910172 0.320826 0.588516 O\n0.195973 0.709515 0.112111 O\n0.937535 0.607157 0.154178 O\n0.545211 0.122384 0.669197 O\n0.283434 0.131087 0.657224 O\n0.436631 0.385653 0.345310 O\n0.699964 0.322868 0.376288 O\n0.780862 0.843202 0.857984 O\n0.038004 0.863603 0.833482 O\n0.082640 0.177562 0.407231 O\n0.422230 0.675364 0.915030 O\n0.089828 0.320826 0.088516 O\n0.418816 0.832729 0.584246 O\n0.454789 0.122384 0.169197 O\n0.716566 0.131087 0.157224 O\n0.804027 0.709515 0.612111 O\n0.062465 0.607157 0.654178 O\n0.219138 0.843202 0.357984 O\n0.961996 0.863603 0.333482 O\n0.563369 0.385653 0.845310 O\n0.300036 0.322868 0.876288 O\n0.577770 0.675364 0.415030 O\n0.917360 0.177562 0.907231 O\n","nsites":48,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.028629649307043,"density_atomic":0.10068454098140041,"volume":476.7365429899224,"volume_molar":5.9811970152523,"formula_full":"Li10 Mn6 B8 O24","formula_reduced":"Li5Mn3(BO3)4","formula_anonymous":"A3B4C5D12","energy":-366.40625776,"energy_per_atom":-7.633463703333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.91025776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.105000Z","spacegroup":7},{"id":"mp-558923","created_at":"2022-09-04T14:47:26.555854Z","structure_string":"K4 Tb4 Cr8 O32\n1.0\n5.811857 0.000000 0.000000\n0.000000 9.213665 0.000000\n0.000000 0.000000 13.910261\nK Tb Cr O\n4 4 8 32\ndirect\n0.737155 0.091023 0.587375 K\n0.762845 0.908977 0.087375 K\n0.262845 0.591023 0.912625 K\n0.237155 0.408977 0.412625 K\n0.223159 0.042082 0.857845 Tb\n0.723159 0.457918 0.142155 Tb\n0.276841 0.957918 0.357845 Tb\n0.776841 0.542082 0.642155 Tb\n0.732590 0.152956 0.337753 Cr\n0.267410 0.652956 0.162247 Cr\n0.271745 0.815707 0.617370 Cr\n0.728255 0.315707 0.882630 Cr\n0.232590 0.347044 0.662247 Cr\n0.767410 0.847044 0.837753 Cr\n0.228255 0.184293 0.117370 Cr\n0.771745 0.684293 0.382630 Cr\n0.484047 0.696904 0.603820 O\n0.980491 0.232087 0.892747 O\n0.015953 0.303096 0.103820 O\n0.254038 0.190806 0.720765 O\n0.792886 0.554999 0.466245 O\n0.984047 0.803096 0.396180 O\n0.172107 0.484734 0.733431 O\n0.292886 0.945001 0.533755 O\n0.794652 0.610418 0.273943 O\n0.327893 0.515266 0.233431 O\n0.754038 0.309194 0.279235 O\n0.672107 0.015266 0.266569 O\n0.207114 0.054999 0.033755 O\n0.495160 0.656720 0.087411 O\n0.028238 0.620316 0.098131 O\n0.705348 0.389582 0.773943 O\n0.019509 0.732087 0.607253 O\n0.519509 0.767913 0.392747 O\n0.504840 0.156720 0.412589 O\n0.205348 0.110418 0.226057 O\n0.004840 0.343280 0.587411 O\n0.515953 0.196904 0.896180 O\n0.707114 0.445001 0.966245 O\n0.745962 0.690806 0.779235 O\n0.971762 0.120316 0.401869 O\n0.995160 0.843280 0.912589 O\n0.294652 0.889582 0.726057 O\n0.471762 0.379684 0.598131 O\n0.245962 0.809194 0.220765 O\n0.827893 0.984734 0.766569 O\n0.480491 0.267913 0.107253 O\n0.528238 0.879684 0.901869 O\n","nsites":48,"nelements":4,"elements":["K","Tb","Cr","O"],"chemical_system":"Cr-K-O-Tb","density":3.834476567378497,"density_atomic":0.0644404583677232,"volume":744.8736588137327,"volume_molar":9.345279212067737,"formula_full":"K4 Tb4 Cr8 O32","formula_reduced":"KTbCr2O8","formula_anonymous":"ABC2D8","energy":-370.82700212,"energy_per_atom":-7.725562544166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.85100212,"band_gap":2.596,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005389,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.152000Z","spacegroup":19},{"id":"mp-1212624","created_at":"2022-09-04T14:47:26.289797Z","structure_string":"Ge14 N4 O30\n1.0\n3.701056 6.651169 0.000000\n-3.701056 6.651169 0.000000\n0.000000 3.674852 14.917698\nGe N O\n14 4 30\ndirect\n0.858149 0.055092 0.852050 Ge\n0.141851 0.944908 0.147950 Ge\n0.944908 0.141851 0.647950 Ge\n0.055092 0.858149 0.352050 Ge\n0.760631 0.872444 0.625218 Ge\n0.239369 0.127556 0.374782 Ge\n0.127556 0.239369 0.874782 Ge\n0.872444 0.760631 0.125218 Ge\n0.285796 0.232275 0.663296 Ge\n0.714204 0.767725 0.336704 Ge\n0.767725 0.714204 0.836704 Ge\n0.232275 0.285796 0.163296 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.422813 0.664665 0.575758 N\n0.577187 0.335335 0.424242 N\n0.335335 0.577187 0.924242 N\n0.664665 0.422813 0.075758 N\n0.716640 0.732329 0.726274 O\n0.283360 0.267671 0.273726 O\n0.267671 0.283360 0.773726 O\n0.732329 0.716640 0.226274 O\n0.778245 0.221755 0.750000 O\n0.221755 0.778245 0.250000 O\n0.527813 0.875253 0.899422 O\n0.472187 0.124747 0.100578 O\n0.124747 0.472187 0.600578 O\n0.875253 0.527813 0.399422 O\n0.203186 0.050977 0.667407 O\n0.796814 0.949023 0.332593 O\n0.949023 0.796814 0.832593 O\n0.050977 0.203186 0.167407 O\n0.546695 0.132909 0.616252 O\n0.453305 0.867091 0.383748 O\n0.867091 0.453305 0.883748 O\n0.132909 0.546695 0.116252 O\n0.762250 0.778436 0.030866 O\n0.237750 0.221564 0.969134 O\n0.221564 0.237750 0.469134 O\n0.778436 0.762250 0.530866 O\n0.633228 0.150851 0.933198 O\n0.366772 0.849149 0.066802 O\n0.849149 0.366772 0.566802 O\n0.150851 0.633228 0.433198 O\n0.919097 0.970560 0.115366 O\n0.080903 0.029440 0.884634 O\n0.029440 0.080903 0.384634 O\n0.970560 0.919097 0.615366 O\n","nsites":48,"nelements":3,"elements":["Ge","N","O"],"chemical_system":"Ge-N-O","density":3.511206583716036,"density_atomic":0.06535604926579525,"volume":734.4385185339115,"volume_molar":9.214358621202258,"formula_full":"Ge14 N4 O30","formula_reduced":"Ge7N2O15","formula_anonymous":"A2B7C15","energy":-307.53246110000003,"energy_per_atom":-6.406926272916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.9224611,"band_gap":0.0024999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0187064,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.480000Z","spacegroup":15},{"id":"mp-849572","created_at":"2022-09-04T14:47:39.729557Z","structure_string":"Li8 Fe12 O4 F24\n1.0\n5.103951 0.000000 0.000000\n-0.075287 10.660290 0.000000\n-2.234405 -5.188275 10.490233\nLi Fe O F\n8 12 4 24\ndirect\n0.022058 0.256055 0.995773 Li\n0.826999 0.295772 0.770298 Li\n0.533436 0.024937 0.212661 Li\n0.794197 0.351925 0.499950 Li\n0.477875 0.752176 0.009022 Li\n0.471871 0.815998 0.798988 Li\n0.179733 0.527556 0.209583 Li\n0.179516 0.843675 0.493171 Li\n0.408456 0.115101 0.779871 Fe\n0.719411 0.018811 0.501459 Fe\n0.480697 0.471553 0.957277 Fe\n0.172880 0.188479 0.350182 Fe\n0.337766 0.301560 0.631006 Fe\n0.621870 0.330250 0.201293 Fe\n0.887520 0.621703 0.787662 Fe\n0.325882 0.533200 0.523322 Fe\n0.000573 0.983568 0.985164 Fe\n0.687050 0.686252 0.337328 Fe\n0.831910 0.810193 0.651945 Fe\n0.055066 0.841723 0.225779 Fe\n0.555302 0.148187 0.647773 O\n0.423154 0.339848 0.488914 O\n0.611842 0.669157 0.668656 O\n0.893022 0.860363 0.371176 O\n0.211570 0.101114 0.917195 F\n0.712536 0.305740 0.920058 F\n0.398229 0.012421 0.345675 F\n0.195030 0.300450 0.797356 F\n0.960691 0.186888 0.500832 F\n0.381101 0.180259 0.200412 F\n0.651630 0.460422 0.792108 F\n0.843461 0.174671 0.075989 F\n0.214796 0.597133 0.913001 F\n0.072065 0.476112 0.642567 F\n0.909352 0.342350 0.354102 F\n0.721554 0.816945 0.940166 F\n0.319105 0.393932 0.074599 F\n0.452696 0.522630 0.343429 F\n0.122900 0.811779 0.817855 F\n0.829600 0.498780 0.210343 F\n0.038545 0.675644 0.499557 F\n0.314125 0.692736 0.219286 F\n0.665274 0.970628 0.803870 F\n0.540742 0.827441 0.504728 F\n0.725798 0.662585 0.077662 F\n0.070925 0.964402 0.646521 F\n0.256280 0.888629 0.086975 F\n0.893903 0.022467 0.217460 F\n","nsites":48,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.6239029391456263,"density_atomic":0.0840970162325378,"volume":570.7693584190258,"volume_molar":7.160944620613051,"formula_full":"Li8 Fe12 O4 F24","formula_reduced":"Li2Fe3OF6","formula_anonymous":"AB2C3D6","energy":-303.61350138,"energy_per_atom":-6.32528127875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.70550138,"band_gap":1.9706,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.075000Z","spacegroup":1}]}