{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10176","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10174","results":[{"id":"mp-1179783","created_at":"2022-09-04T14:42:27.904927Z","structure_string":"Rb1 I1 O3\n1.0\n7.117282 1.725187 1.769943\n-5.089078 3.356680 3.347912\n-3.572787 -3.671631 1.909919\nRb I O\n1 1 3\ndirect\n0.831460 0.415706 0.000000 Rb\n0.974364 0.996606 0.000000 I\n0.344027 0.495225 0.000000 O\n0.094996 0.450381 0.723243 O\n0.371753 0.450381 0.276757 O\n","nsites":5,"nelements":3,"elements":["Rb","I","O"],"chemical_system":"I-O-Rb","density":2.3555507344549835,"density_atomic":0.02724091194963754,"volume":183.5474527888017,"volume_molar":22.106971936672366,"formula_full":"Rb1 I1 O3","formula_reduced":"RbIO3","formula_anonymous":"ABC3","energy":-19.24303637,"energy_per_atom":-3.848607274,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.24303637,"band_gap":0.4079999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.38e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.618000Z","spacegroup":8},{"id":"mp-755213","created_at":"2022-09-04T14:42:24.778092Z","structure_string":"Yb4 C4 O12\n1.0\n4.908635 0.000000 0.000000\n0.000000 5.677106 0.000000\n0.000000 0.000000 7.898787\nYb C O\n4 4 12\ndirect\n0.750000 0.740718 0.415314 Yb\n0.250000 0.759282 0.915314 Yb\n0.750000 0.240718 0.084686 Yb\n0.250000 0.259282 0.584686 Yb\n0.750000 0.584506 0.761615 C\n0.250000 0.915494 0.261615 C\n0.750000 0.084506 0.738385 C\n0.250000 0.415494 0.238385 C\n0.977103 0.585516 0.677759 O\n0.522897 0.585516 0.677759 O\n0.750000 0.594033 0.924929 O\n0.250000 0.905967 0.424929 O\n0.022897 0.914484 0.177759 O\n0.477103 0.914484 0.177759 O\n0.522897 0.085516 0.822241 O\n0.977103 0.085516 0.822241 O\n0.750000 0.094033 0.575071 O\n0.250000 0.405967 0.075071 O\n0.477103 0.414484 0.322241 O\n0.022897 0.414484 0.322241 O\n","nsites":20,"nelements":3,"elements":["Yb","C","O"],"chemical_system":"C-O-Yb","density":7.032471819320222,"density_atomic":0.0908619075252342,"volume":220.1142430830609,"volume_molar":6.6277947756352455,"formula_full":"Yb4 C4 O12","formula_reduced":"YbCO3","formula_anonymous":"ABC3","energy":-158.73329399,"energy_per_atom":-7.9366646995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.48929399,"band_gap":3.8983,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013161,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.882000Z","spacegroup":62},{"id":"mp-636273","created_at":"2022-09-04T14:42:28.217973Z","structure_string":"Nd3 Ga1 N1\n1.0\n5.505059 0.000000 0.000000\n0.000000 5.505059 0.000000\n0.000000 0.000000 5.505059\nNd Ga N\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["Nd","Ga","N"],"chemical_system":"Ga-N-Nd","density":5.1403919987422055,"density_atomic":0.029969815599577173,"volume":166.83452667191392,"volume_molar":20.0940200649248,"formula_full":"Nd3 Ga1 N1","formula_reduced":"Nd3GaN","formula_anonymous":"ABC3","energy":-21.26518067,"energy_per_atom":-4.253036134,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.90418067,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0077573,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.011000Z","spacegroup":221},{"id":"mp-1016836","created_at":"2022-09-04T14:42:21.006368Z","structure_string":"Zn1 Os1 O3\n1.0\n3.896879 0.000000 0.000000\n0.000000 3.896879 0.000000\n0.000000 0.000000 3.896879\nZn Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Zn","Os","O"],"chemical_system":"O-Os-Zn","density":8.520269119854007,"density_atomic":0.08449271033090455,"volume":59.17670270509917,"volume_molar":7.127408668055599,"formula_full":"Zn1 Os1 O3","formula_reduced":"ZnOsO3","formula_anonymous":"ABC3","energy":-32.12732629,"energy_per_atom":-6.425465258,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.06632629,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1581775,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.018000Z","spacegroup":221},{"id":"mp-1105365","created_at":"2022-09-04T14:42:40.842048Z","structure_string":"K4 N4 O12\n1.0\n3.841033 0.000000 -1.154361\n0.000000 5.634771 0.000000\n2.932838 0.000000 14.964350\nK N O\n4 4 12\ndirect\n0.643529 0.967094 0.345653 K\n0.856471 0.467094 0.154347 K\n0.356471 0.032906 0.654347 K\n0.143529 0.532906 0.845653 K\n0.246165 0.464943 0.371106 N\n0.253835 0.964943 0.128894 N\n0.753835 0.535057 0.628894 N\n0.746165 0.035057 0.871106 N\n0.163553 0.270975 0.404689 O\n0.336447 0.770975 0.095311 O\n0.836447 0.729025 0.595311 O\n0.663553 0.229025 0.904689 O\n0.156061 0.661055 0.401014 O\n0.343939 0.161055 0.098986 O\n0.843939 0.338945 0.598986 O\n0.656061 0.838945 0.901014 O\n0.076160 0.961598 0.194426 O\n0.423840 0.461598 0.305574 O\n0.923840 0.038402 0.805574 O\n0.576160 0.538402 0.694426 O\n","nsites":20,"nelements":3,"elements":["K","N","O"],"chemical_system":"K-N-O","density":1.958106914909403,"density_atomic":0.05831662830053267,"volume":342.9553556651237,"volume_molar":10.326627131056192,"formula_full":"K4 N4 O12","formula_reduced":"KNO3","formula_anonymous":"ABC3","energy":-124.7695787,"energy_per_atom":-6.238478935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.52557869999998,"band_gap":3.1418,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005252,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.689000Z","spacegroup":14},{"id":"mp-1219075","created_at":"2022-09-04T14:42:41.008898Z","structure_string":"Sm1 Bi1 Te3\n1.0\n10.609875 -2.225258 0.000000\n10.609875 2.225258 0.000000\n10.143161 0.000000 3.825898\nSm Bi Te\n1 1 3\ndirect\n0.600975 0.600975 0.600975 Sm\n0.400257 0.400257 0.400257 Bi\n0.997334 0.997334 0.997334 Te\n0.786969 0.786969 0.786969 Te\n0.214465 0.214465 0.214465 Te\n","nsites":5,"nelements":3,"elements":["Sm","Bi","Te"],"chemical_system":"Bi-Sm-Te","density":6.821519894576852,"density_atomic":0.027676806852502966,"volume":180.65667859180158,"volume_molar":21.758798954278156,"formula_full":"Sm1 Bi1 Te3","formula_reduced":"SmBiTe3","formula_anonymous":"ABC3","energy":-23.31532104,"energy_per_atom":-4.663064208,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.04932104,"band_gap":0.9818000000000008,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.173000Z","spacegroup":160},{"id":"mp-10120","created_at":"2022-09-04T14:42:28.175253Z","structure_string":"Nd1 B1 Pd3\n1.0\n4.383158 0.000000 0.000000\n0.000000 4.383158 0.000000\n0.000000 0.000000 4.383158\nNd B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Nd","B","Pd"],"chemical_system":"B-Nd-Pd","density":9.35303904857043,"density_atomic":0.05937568409861466,"volume":84.20955608184157,"volume_molar":10.142436001239279,"formula_full":"Nd1 B1 Pd3","formula_reduced":"NdBPd3","formula_anonymous":"ABC3","energy":-29.776430520000005,"energy_per_atom":-5.955286104000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.776430520000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.22e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.083000Z","spacegroup":221},{"id":"mp-504708","created_at":"2022-09-04T14:42:25.861160Z","structure_string":"Cs2 Co2 Cl6\n1.0\n3.670471 -6.357442 0.000000\n3.670471 6.357442 0.000000\n0.000000 0.000000 5.950031\nCs Co Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.848321 0.696641 0.750000 Cl\n0.848321 0.151679 0.750000 Cl\n0.151679 0.848321 0.250000 Cl\n0.696641 0.848321 0.250000 Cl\n0.303359 0.151679 0.750000 Cl\n0.151679 0.303359 0.250000 Cl\n","nsites":10,"nelements":3,"elements":["Cs","Co","Cl"],"chemical_system":"Cl-Co-Cs","density":3.566398572302789,"density_atomic":0.036011944492799666,"volume":277.6856440506685,"volume_molar":16.722620355043823,"formula_full":"Cs2 Co2 Cl6","formula_reduced":"CsCoCl3","formula_anonymous":"ABC3","energy":-42.67015151,"energy_per_atom":-4.267015151,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.98615151,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9997773,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.286000Z","spacegroup":194},{"id":"mp-4535","created_at":"2022-09-04T14:42:25.339545Z","structure_string":"Pr4 Ga4 O12\n1.0\n5.508641 0.000000 0.000000\n0.000000 5.609537 0.000000\n0.000000 0.000000 7.837221\nPr Ga O\n4 4 12\ndirect\n0.011589 0.953654 0.750000 Pr\n0.511589 0.546346 0.250000 Pr\n0.488411 0.453654 0.750000 Pr\n0.988411 0.046346 0.250000 Pr\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.711956 0.289446 0.455629 O\n0.211956 0.210554 0.544371 O\n0.788044 0.789446 0.044371 O\n0.288044 0.710554 0.955629 O\n0.288044 0.710554 0.544371 O\n0.788044 0.789446 0.455629 O\n0.211956 0.210554 0.955629 O\n0.711956 0.289446 0.044371 O\n0.082431 0.480477 0.250000 O\n0.582431 0.019523 0.750000 O\n0.417569 0.980477 0.250000 O\n0.917569 0.519523 0.750000 O\n","nsites":20,"nelements":3,"elements":["Pr","Ga","O"],"chemical_system":"Ga-O-Pr","density":7.093367763086663,"density_atomic":0.08258409521311405,"volume":242.1773823202712,"volume_molar":7.292131426105042,"formula_full":"Pr4 Ga4 O12","formula_reduced":"PrGaO3","formula_anonymous":"ABC3","energy":-151.35003618,"energy_per_atom":-7.5675018089999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.10603618,"band_gap":3.3909,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.060000Z","spacegroup":62},{"id":"mp-1105868","created_at":"2022-09-04T14:42:42.335353Z","structure_string":"K4 C4 O12\n1.0\n10.319265 0.000000 0.000000\n0.000000 4.493736 0.000000\n0.000000 3.445960 6.971845\nK C O\n4 4 12\ndirect\n0.814471 0.572142 0.085275 K\n0.185529 0.427858 0.914725 K\n0.314471 0.427858 0.414725 K\n0.685529 0.572142 0.585275 K\n0.548495 0.174150 0.212303 C\n0.451505 0.825850 0.787697 C\n0.048495 0.825850 0.287697 C\n0.951505 0.174150 0.712303 C\n0.581686 0.290231 0.330325 O\n0.418314 0.709769 0.669675 O\n0.081686 0.709769 0.169675 O\n0.918314 0.290231 0.830325 O\n0.428787 0.146139 0.178872 O\n0.571213 0.853861 0.821128 O\n0.928787 0.853861 0.321128 O\n0.071213 0.146139 0.678872 O\n0.638086 0.079544 0.132858 O\n0.361914 0.920456 0.867142 O\n0.138086 0.920456 0.367142 O\n0.861914 0.079544 0.632858 O\n","nsites":20,"nelements":3,"elements":["K","C","O"],"chemical_system":"C-K-O","density":2.0361522665766083,"density_atomic":0.06186228428587864,"volume":323.2987632266502,"volume_molar":9.734753298423994,"formula_full":"K4 C4 O12","formula_reduced":"KCO3","formula_anonymous":"ABC3","energy":-136.79802561,"energy_per_atom":-6.8399012804999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.55402561,"band_gap":0.0964,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0004309,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.316000Z","spacegroup":14},{"id":"mp-756979","created_at":"2022-09-04T14:42:25.515164Z","structure_string":"Rb12 Cl4 O4\n1.0\n7.718872 0.000000 0.000000\n0.000000 7.737949 0.000000\n0.000000 0.000000 10.958862\nRb Cl O\n12 4 4\ndirect\n0.072500 0.477560 0.250000 Rb\n0.200532 0.200624 0.534830 Rb\n0.200532 0.200624 0.965170 Rb\n0.299468 0.700624 0.965170 Rb\n0.299468 0.700624 0.534830 Rb\n0.427500 0.977560 0.250000 Rb\n0.572500 0.022440 0.750000 Rb\n0.700532 0.299376 0.034830 Rb\n0.700532 0.299376 0.465170 Rb\n0.799468 0.799376 0.034830 Rb\n0.799468 0.799376 0.465170 Rb\n0.927500 0.522440 0.750000 Rb\n0.997393 0.033778 0.250000 Cl\n0.502607 0.533778 0.250000 Cl\n0.497393 0.466222 0.750000 Cl\n0.002607 0.966222 0.750000 Cl\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":20,"nelements":3,"elements":["Rb","Cl","O"],"chemical_system":"Cl-O-Rb","density":3.124001750829412,"density_atomic":0.030555179217806837,"volume":654.5535163591668,"volume_molar":19.709067052339332,"formula_full":"Rb12 Cl4 O4","formula_reduced":"Rb3ClO","formula_anonymous":"ABC3","energy":-70.53328109,"energy_per_atom":-3.5266640545000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.32928109,"band_gap":0.6579000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010724,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.533000Z","spacegroup":62},{"id":"mp-756282","created_at":"2022-09-04T14:42:25.629421Z","structure_string":"V4 Bi4 O12\n1.0\n5.497572 -0.000142 -0.007602\n-0.000149 5.779464 -0.000046\n-0.026524 -0.000062 7.881134\nV Bi O\n4 4 12\ndirect\n0.999997 0.500000 0.499998 V\n0.000001 0.499997 0.999999 V\n0.499994 0.000002 0.500001 V\n0.500002 0.999998 0.000000 V\n0.011907 0.955723 0.748466 Bi\n0.488093 0.455715 0.751534 Bi\n0.511908 0.544285 0.248466 Bi\n0.988094 0.044277 0.251535 Bi\n0.100203 0.468757 0.248082 O\n0.192133 0.199882 0.950845 O\n0.187603 0.199329 0.548227 O\n0.312396 0.699332 0.951772 O\n0.307860 0.699880 0.549151 O\n0.399800 0.968757 0.251917 O\n0.600201 0.031243 0.748083 O\n0.692140 0.300120 0.450849 O\n0.687605 0.300668 0.048228 O\n0.812398 0.800671 0.451773 O\n0.807868 0.800118 0.049155 O\n0.899798 0.531244 0.751918 O\n","nsites":20,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":8.167740832711662,"density_atomic":0.07987020821763068,"volume":250.40625843247983,"volume_molar":7.539908677326653,"formula_full":"V4 Bi4 O12","formula_reduced":"VBiO3","formula_anonymous":"ABC3","energy":-152.82675970000005,"energy_per_atom":-7.6413379850000025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.7827597,"band_gap":0.9777000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0001233,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.933000Z","spacegroup":62}]}