{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10139","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10137","results":[{"id":"mp-849689","created_at":"2022-09-04T14:41:01.109985Z","structure_string":"Fe12 O12\n1.0\n2.653931 -4.596744 0.000000\n2.653931 4.596744 0.000000\n0.000000 0.000000 10.604470\nFe O\n12 12\ndirect\n0.327232 0.993117 0.124811 Fe\n0.327232 0.993117 0.375189 Fe\n0.006883 0.334115 0.124811 Fe\n0.006883 0.334115 0.375189 Fe\n0.665885 0.672768 0.124811 Fe\n0.665885 0.672768 0.375189 Fe\n0.334115 0.006883 0.624811 Fe\n0.334115 0.006883 0.875189 Fe\n0.672768 0.665885 0.624811 Fe\n0.672768 0.665885 0.875189 Fe\n0.993117 0.327232 0.875189 Fe\n0.993117 0.327232 0.624811 Fe\n0.988760 0.664947 0.750000 O\n0.333333 0.666667 0.514471 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333333 0.666667 0.985529 O\n0.335053 0.323813 0.750000 O\n0.676187 0.011240 0.750000 O\n0.323813 0.335053 0.250000 O\n0.666667 0.333333 0.014471 O\n0.666667 0.333333 0.485529 O\n0.011240 0.676187 0.250000 O\n0.664947 0.988760 0.250000 O\n","nsites":24,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":5.533046969906426,"density_atomic":0.0927582043860981,"volume":258.7372207001987,"volume_molar":6.492299845449093,"formula_full":"Fe12 O12","formula_reduced":"FeO","formula_anonymous":"AB","energy":-194.08106488,"energy_per_atom":-8.086711036666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.76506488,"band_gap":1.1609999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9997933,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.503000Z","spacegroup":190},{"id":"mp-1222943","created_at":"2022-09-04T14:41:01.278563Z","structure_string":"La1 Ce1 C4\n1.0\n2.743227 -3.231372 0.000000\n2.743227 3.231372 0.000000\n0.000000 0.000000 5.487124\nLa Ce C\n1 1 4\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.601470 0.398530 0.000000 C\n0.100315 0.899685 0.500000 C\n0.899685 0.100315 0.500000 C\n0.398530 0.601470 0.000000 C\n","nsites":6,"nelements":3,"elements":["La","Ce","C"],"chemical_system":"C-Ce-La","density":5.582885557654663,"density_atomic":0.06167764400578421,"volume":97.27998039998597,"volume_molar":9.763895584979277,"formula_full":"La1 Ce1 C4","formula_reduced":"LaCeC4","formula_anonymous":"ABC4","energy":-48.59728726,"energy_per_atom":-8.099547876666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.59728726,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.208502,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.103000Z","spacegroup":65},{"id":"mp-30489","created_at":"2022-09-04T14:41:01.071549Z","structure_string":"La4 Cd34\n1.0\n5.101260 -8.835641 0.000000\n5.101260 8.835641 0.000000\n0.000000 0.000000 10.035426\nLa Cd\n4 34\ndirect\n0.000000 0.000000 0.250000 La\n0.000000 0.000000 0.750000 La\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.098542 Cd\n0.666667 0.333333 0.598542 Cd\n0.666667 0.333333 0.901458 Cd\n0.333333 0.666667 0.401458 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.038639 0.672700 0.250000 Cd\n0.365939 0.038639 0.750000 Cd\n0.672700 0.634061 0.750000 Cd\n0.327300 0.365939 0.250000 Cd\n0.634061 0.961361 0.250000 Cd\n0.365939 0.327300 0.750000 Cd\n0.961361 0.634061 0.750000 Cd\n0.961361 0.327300 0.750000 Cd\n0.672700 0.038639 0.750000 Cd\n0.327300 0.961361 0.250000 Cd\n0.634061 0.672700 0.250000 Cd\n0.038639 0.365939 0.250000 Cd\n0.160192 0.320385 0.971330 Cd\n0.839808 0.160192 0.471330 Cd\n0.320385 0.160192 0.471330 Cd\n0.679615 0.839808 0.971330 Cd\n0.160192 0.839808 0.971330 Cd\n0.839808 0.679615 0.028670 Cd\n0.839808 0.160192 0.028670 Cd\n0.839808 0.679615 0.471330 Cd\n0.320385 0.160192 0.028670 Cd\n0.679615 0.839808 0.528670 Cd\n0.160192 0.320385 0.528670 Cd\n0.160192 0.839808 0.528670 Cd\n","nsites":38,"nelements":2,"elements":["La","Cd"],"chemical_system":"Cd-La","density":8.035324776085892,"density_atomic":0.04200512362241702,"volume":904.6515454062468,"volume_molar":14.33668143470513,"formula_full":"La4 Cd34","formula_reduced":"La2Cd17","formula_anonymous":"A2B17","energy":-57.560585630000006,"energy_per_atom":-1.5147522534210527,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.560585630000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0207803,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.588000Z","spacegroup":194},{"id":"mp-631565","created_at":"2022-09-04T14:41:01.106789Z","structure_string":"Ga1 As2 W1\n1.0\n0.000000 3.240324 3.240324\n3.240324 0.000000 3.240324\n3.240325 3.240324 0.000000\nGa As W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 As\n0.750000 0.750000 0.750000 As\n0.250000 0.250000 0.250000 W\n","nsites":4,"nelements":3,"elements":["Ga","As","W"],"chemical_system":"As-Ga-W","density":9.844559563848321,"density_atomic":0.05878474196399216,"volume":68.04486787490109,"volume_molar":10.24439430845641,"formula_full":"Ga1 As2 W1","formula_reduced":"GaAs2W","formula_anonymous":"ABC2","energy":-22.5790415,"energy_per_atom":-5.644760375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.5790415,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0298549,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.133000Z","spacegroup":216},{"id":"mp-17103","created_at":"2022-09-04T14:41:01.111445Z","structure_string":"Sr3 Ta6 Si4 O26\n1.0\n4.517530 -7.824591 0.000000\n4.517530 7.824591 0.000000\n0.000000 0.000000 7.741880\nSr Ta Si O\n3 6 4 26\ndirect\n0.403018 0.403018 0.500000 Sr\n0.000000 0.596982 0.500000 Sr\n0.596982 0.000000 0.500000 Sr\n0.000000 0.238533 0.754007 Ta\n0.761467 0.761467 0.754007 Ta\n0.238533 0.000000 0.245993 Ta\n0.761467 0.761467 0.245993 Ta\n0.238533 0.000000 0.754007 Ta\n0.000000 0.238533 0.245993 Ta\n0.666667 0.333333 0.209320 Si\n0.666667 0.333333 0.790680 Si\n0.333333 0.666667 0.790680 Si\n0.333333 0.666667 0.209320 Si\n0.000000 0.221391 0.500000 O\n0.778609 0.778609 0.500000 O\n0.221391 0.000000 0.500000 O\n0.508909 0.685950 0.291238 O\n0.314050 0.822960 0.291238 O\n0.177040 0.491091 0.291238 O\n0.491091 0.177040 0.708762 O\n0.177040 0.491091 0.708762 O\n0.508909 0.685950 0.708762 O\n0.314050 0.822960 0.708762 O\n0.685950 0.508909 0.291238 O\n0.822960 0.314050 0.291238 O\n0.822960 0.314050 0.708762 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.279294 0.000000 0.000000 O\n0.720706 0.720706 0.000000 O\n0.000000 0.279294 0.000000 O\n0.814623 0.000000 0.234627 O\n0.185377 0.185377 0.765373 O\n0.000000 0.814623 0.765373 O\n0.000000 0.814623 0.234627 O\n0.185377 0.185377 0.234627 O\n0.814623 0.000000 0.765373 O\n0.491091 0.177040 0.291238 O\n0.685950 0.508909 0.708762 O\n","nsites":39,"nelements":4,"elements":["Sr","Ta","Si","O"],"chemical_system":"O-Si-Sr-Ta","density":5.694361303934878,"density_atomic":0.07125666377160246,"volume":547.317232322382,"volume_molar":8.45133695748463,"formula_full":"Sr3 Ta6 Si4 O26","formula_reduced":"Sr3Ta6(Si2O13)2","formula_anonymous":"A3B4C6D26","energy":-359.79697282,"energy_per_atom":-9.225563405641026,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.93497282,"band_gap":2.9393,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0056219,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.382000Z","spacegroup":189},{"id":"mp-1222522","created_at":"2022-09-04T14:41:01.126372Z","structure_string":"Li1 La3 Ti4 O12\n1.0\n-2.777929 2.777929 7.872410\n2.777929 -2.777929 7.872410\n2.777929 2.777929 -7.872410\nLi La Ti O\n1 3 4 12\ndirect\n0.500000 0.500000 0.000000 Li\n0.748468 0.748468 0.000000 La\n0.251532 0.251532 0.000000 La\n0.000000 0.000000 0.000000 La\n0.877399 0.377399 0.500000 Ti\n0.377399 0.877399 0.500000 Ti\n0.122601 0.622601 0.500000 Ti\n0.622601 0.122601 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.626844 0.117281 0.000000 O\n0.117281 0.626844 0.000000 O\n0.882719 0.373156 0.000000 O\n0.373156 0.882719 0.000000 O\n0.117281 0.117281 0.490437 O\n0.626844 0.626844 0.509563 O\n0.373156 0.373156 0.490437 O\n0.882719 0.882719 0.509563 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":20,"nelements":4,"elements":["Li","La","Ti","O"],"chemical_system":"La-Li-O-Ti","density":5.515390471691002,"density_atomic":0.08230382456211517,"volume":243.00207318927062,"volume_molar":7.316963448588049,"formula_full":"Li1 La3 Ti4 O12","formula_reduced":"LiLa3Ti4O12","formula_anonymous":"AB3C4D12","energy":-178.34363651,"energy_per_atom":-8.9171818255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.09963650999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025488,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.330000Z","spacegroup":139},{"id":"mp-1219811","created_at":"2022-09-04T14:41:01.129572Z","structure_string":"Pr1 U1 Te6\n1.0\n2.192912 -12.995883 0.000000\n2.192912 12.995883 0.000000\n0.000000 0.000000 4.403412\nPr U Te\n1 1 6\ndirect\n0.831763 0.168237 0.000000 Pr\n0.165069 0.834931 0.500000 U\n0.429689 0.570311 0.000000 Te\n0.576244 0.423756 0.500000 Te\n0.700526 0.299474 0.000000 Te\n0.290500 0.709500 0.500000 Te\n0.076225 0.923775 0.000000 Te\n0.929984 0.070016 0.500000 Te\n","nsites":8,"nelements":3,"elements":["Pr","U","Te"],"chemical_system":"Pr-Te-U","density":7.572380932032225,"density_atomic":0.03187452142327169,"volume":250.9841604761844,"volume_molar":18.89327428647514,"formula_full":"Pr1 U1 Te6","formula_reduced":"PrUTe6","formula_anonymous":"ABC6","energy":-43.30864716000001,"energy_per_atom":-5.413580895000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.77664716,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.723409,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.208000Z","spacegroup":38},{"id":"mp-1211083","created_at":"2022-09-04T14:41:01.133199Z","structure_string":"Lu2 Cu2 Mo4 O16\n1.0\n0.009225 0.000000 -5.066763\n-4.889646 -5.869357 0.105447\n-4.889646 5.869357 0.105447\nLu Cu Mo O\n2 2 4 16\ndirect\n0.750000 0.842459 0.157541 Lu\n0.250000 0.157541 0.842459 Lu\n0.750000 0.339018 0.660982 Cu\n0.250000 0.660982 0.339018 Cu\n0.743688 0.348277 0.171592 Mo\n0.256312 0.651723 0.828408 Mo\n0.756312 0.828408 0.651723 Mo\n0.243688 0.171592 0.348277 Mo\n0.394483 0.686410 0.055370 O\n0.605517 0.313590 0.944630 O\n0.105517 0.944630 0.313590 O\n0.894483 0.055370 0.686410 O\n0.952184 0.804664 0.906554 O\n0.047816 0.195336 0.093446 O\n0.547816 0.093446 0.195336 O\n0.452184 0.906554 0.804664 O\n0.897689 0.569041 0.196243 O\n0.102311 0.430959 0.803757 O\n0.602311 0.803757 0.430959 O\n0.397689 0.196243 0.569041 O\n0.568995 0.588136 0.697003 O\n0.431005 0.411864 0.302997 O\n0.931005 0.302997 0.411864 O\n0.068995 0.697003 0.588136 O\n","nsites":24,"nelements":4,"elements":["Lu","Cu","Mo","O"],"chemical_system":"Cu-Lu-Mo-O","density":6.376815433502892,"density_atomic":0.08252770417648318,"volume":290.8114340449441,"volume_molar":7.297114126817124,"formula_full":"Lu2 Cu2 Mo4 O16","formula_reduced":"LuCu(MoO4)2","formula_anonymous":"ABC2D8","energy":-194.02939316,"energy_per_atom":-8.084558048333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.22939316,"band_gap":0.6925000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031923,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.559000Z","spacegroup":15},{"id":"mp-1195758","created_at":"2022-09-04T14:41:01.195912Z","structure_string":"Y6 Ge26 Rh8\n1.0\n9.033962 0.000000 0.000000\n0.000000 9.033962 0.000000\n0.000000 0.000000 9.033962\nY Ge Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Y\n0.500000 0.250000 0.000000 Y\n0.750000 0.000000 0.500000 Y\n0.000000 0.500000 0.250000 Y\n0.500000 0.750000 0.000000 Y\n0.250000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.809545 0.353117 0.500000 Ge\n0.646883 0.500000 0.809545 Ge\n0.500000 0.190455 0.646883 Ge\n0.190455 0.646883 0.500000 Ge\n0.353117 0.500000 0.190455 Ge\n0.500000 0.809545 0.353117 Ge\n0.809545 0.646883 0.500000 Ge\n0.646883 0.500000 0.190455 Ge\n0.190455 0.353117 0.500000 Ge\n0.353117 0.500000 0.809545 Ge\n0.500000 0.809545 0.646883 Ge\n0.500000 0.190455 0.353117 Ge\n0.309545 0.000000 0.853117 Ge\n0.146883 0.309545 0.000000 Ge\n0.000000 0.146883 0.690455 Ge\n0.690455 0.000000 0.146883 Ge\n0.853117 0.690455 0.000000 Ge\n0.000000 0.853117 0.309545 Ge\n0.309545 0.000000 0.146883 Ge\n0.146883 0.690455 0.000000 Ge\n0.690455 0.000000 0.853117 Ge\n0.853117 0.309545 0.000000 Ge\n0.000000 0.146883 0.309545 Ge\n0.000000 0.853117 0.690455 Ge\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":40,"nelements":3,"elements":["Y","Ge","Rh"],"chemical_system":"Ge-Rh-Y","density":7.309231630256277,"density_atomic":0.054253181747285176,"volume":737.2839474433515,"volume_molar":11.100069278980763,"formula_full":"Y6 Ge26 Rh8","formula_reduced":"Y3Ge13Rh4","formula_anonymous":"A3B4C13","energy":-239.64399941,"energy_per_atom":-5.99109998525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.64399941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0383697,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.842000Z","spacegroup":223},{"id":"mp-1057979","created_at":"2022-09-04T14:41:02.616741Z","structure_string":"I1 N1\n1.0\n0.000000 2.602704 2.602704\n2.602704 0.000000 2.602704\n2.602704 2.602704 0.000000\nI N\n1 1\ndirect\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["I","N"],"chemical_system":"I-N","density":6.635752572846724,"density_atomic":0.056718620753805314,"volume":35.261788340750826,"volume_molar":10.617572641866417,"formula_full":"I1 N1","formula_reduced":"IN","formula_anonymous":"AB","energy":-6.173802139999999,"energy_per_atom":-3.0869010699999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.81280214,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.4e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.932000Z","spacegroup":225},{"id":"mp-690706","created_at":"2022-09-04T14:41:01.078417Z","structure_string":"Fe2 Ag6 H12 C12 N16\n1.0\n6.152846 4.751918 0.000000\n-6.152846 4.751918 0.000000\n0.000000 1.025046 12.391564\nFe Ag H C N\n2 6 12 12 16\ndirect\n0.006597 0.496265 0.495376 Fe\n0.496265 0.006597 0.995376 Fe\n0.054462 0.392951 0.904363 Ag\n0.392951 0.054462 0.404363 Ag\n0.934279 0.626113 0.092001 Ag\n0.626113 0.934279 0.592001 Ag\n0.843059 0.753382 0.777606 Ag\n0.753382 0.843059 0.277606 Ag\n0.138446 0.997611 0.806742 H\n0.997611 0.138446 0.306742 H\n0.051451 0.072519 0.701874 H\n0.072519 0.051451 0.201874 H\n0.164953 0.921747 0.686481 H\n0.921747 0.164953 0.186481 H\n0.494582 0.596139 0.825612 H\n0.596139 0.494582 0.325612 H\n0.606034 0.454122 0.871465 H\n0.454121 0.606034 0.371465 H\n0.576780 0.473146 0.740755 H\n0.473146 0.576780 0.240755 H\n0.790062 0.321377 0.477359 C\n0.321377 0.790062 0.977359 C\n0.219630 0.670119 0.516038 C\n0.670119 0.219630 0.016038 C\n0.990377 0.436259 0.645125 C\n0.436259 0.990377 0.145125 C\n0.026352 0.552897 0.342928 C\n0.552897 0.026352 0.842928 C\n0.130223 0.317382 0.473926 C\n0.317382 0.130223 0.973926 C\n0.879891 0.670970 0.515843 C\n0.670970 0.879891 0.015843 C\n0.661053 0.207848 0.464419 N\n0.207848 0.661053 0.964419 N\n0.348684 0.783277 0.529598 N\n0.783277 0.348684 0.029598 N\n0.986669 0.401583 0.738695 N\n0.401583 0.986669 0.238695 N\n0.032507 0.583014 0.248837 N\n0.583014 0.032507 0.748837 N\n0.203228 0.204341 0.460265 N\n0.204341 0.203228 0.960265 N\n0.802418 0.781131 0.528564 N\n0.781131 0.802418 0.028564 N\n0.077372 0.961248 0.737602 N\n0.961248 0.077372 0.237602 N\n0.599472 0.542380 0.808625 N\n0.542380 0.599472 0.308625 N\n","nsites":48,"nelements":5,"elements":["Fe","Ag","H","C","N"],"chemical_system":"Ag-C-Fe-H-N","density":2.6107148410185386,"density_atomic":0.06624302165448952,"volume":724.6046270406941,"volume_molar":9.090981373721588,"formula_full":"Fe2 Ag6 H12 C12 N16","formula_reduced":"FeAg3H6(C3N4)2","formula_anonymous":"AB3C6D6E8","energy":-317.36019439,"energy_per_atom":-6.611670716458334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-311.58419439,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0035221,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.971000Z","spacegroup":9},{"id":"mp-584674","created_at":"2022-09-04T14:41:01.114634Z","structure_string":"Li4 Co4 P12 O36\n1.0\n5.162944 0.000000 0.000000\n0.000000 12.076343 0.000000\n0.000000 0.000000 13.208115\nLi Co P O\n4 4 12 36\ndirect\n0.992246 0.002888 0.750000 Li\n0.992246 0.497112 0.250000 Li\n0.007754 0.997112 0.250000 Li\n0.007754 0.502888 0.750000 Li\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.505210 0.088859 0.861362 P\n0.505210 0.411141 0.138638 P\n0.494790 0.911141 0.361362 P\n0.494790 0.911141 0.138638 P\n0.494790 0.588859 0.638638 P\n0.245083 0.750000 0.500000 P\n0.754917 0.250000 0.000000 P\n0.754917 0.250000 0.500000 P\n0.494790 0.588859 0.861362 P\n0.505210 0.411141 0.361362 P\n0.245083 0.750000 0.000000 P\n0.505210 0.088859 0.638638 P\n0.287357 0.504598 0.884757 O\n0.712643 0.004598 0.615243 O\n0.900470 0.156203 0.452364 O\n0.900470 0.156203 0.047636 O\n0.099530 0.656203 0.047636 O\n0.287357 0.995402 0.384757 O\n0.564109 0.363154 0.250000 O\n0.774872 0.945532 0.132952 O\n0.543288 0.201866 0.578764 O\n0.774872 0.554468 0.867048 O\n0.900470 0.343797 0.547636 O\n0.564109 0.136846 0.750000 O\n0.456712 0.701866 0.578764 O\n0.099530 0.843797 0.547636 O\n0.225128 0.445532 0.367048 O\n0.099530 0.656203 0.452364 O\n0.774872 0.945532 0.367048 O\n0.225128 0.054468 0.632952 O\n0.456712 0.798134 0.078764 O\n0.225128 0.054468 0.867048 O\n0.099530 0.843797 0.952364 O\n0.456712 0.701866 0.921236 O\n0.712643 0.495402 0.384757 O\n0.435891 0.636846 0.750000 O\n0.287357 0.504598 0.615243 O\n0.900470 0.343797 0.952364 O\n0.774872 0.554468 0.632952 O\n0.543288 0.201866 0.921236 O\n0.712643 0.495402 0.115243 O\n0.225128 0.445532 0.132952 O\n0.456712 0.798134 0.421236 O\n0.543288 0.298134 0.421236 O\n0.543288 0.298134 0.078764 O\n0.712643 0.004598 0.884757 O\n0.435891 0.863154 0.250000 O\n0.287357 0.995402 0.115243 O\n","nsites":56,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.4421764401126467,"density_atomic":0.06800084842764435,"volume":823.5191368176276,"volume_molar":8.855978857981164,"formula_full":"Li4 Co4 P12 O36","formula_reduced":"LiCo(PO3)3","formula_anonymous":"ABC3D9","energy":-418.07502345,"energy_per_atom":-7.46562541875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.79102345,"band_gap":3.1495,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0004085,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.792000Z","spacegroup":57}]}