{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10118","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10116","results":[{"id":"mp-686764","created_at":"2022-09-04T14:41:01.277664Z","structure_string":"Ca10 Fe2 Pb6\n1.0\n4.800027 -8.313891 0.000000\n4.800027 8.313891 0.000000\n0.000000 0.000000 6.694877\nCa Fe Pb\n10 2 6\ndirect\n0.728671 0.728671 0.250000 Ca\n0.333333 0.666667 0.500000 Ca\n0.728671 0.000000 0.750000 Ca\n0.666667 0.333333 0.500000 Ca\n0.000000 0.728671 0.750000 Ca\n0.000000 0.271329 0.250000 Ca\n0.271329 0.271329 0.750000 Ca\n0.271329 0.000000 0.250000 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.616854 0.000000 0.250000 Pb\n0.616854 0.616854 0.750000 Pb\n0.000000 0.616854 0.250000 Pb\n0.383146 0.383146 0.250000 Pb\n0.000000 0.383146 0.750000 Pb\n0.383146 0.000000 0.750000 Pb\n","nsites":18,"nelements":3,"elements":["Ca","Fe","Pb"],"chemical_system":"Ca-Fe-Pb","density":5.455962553488147,"density_atomic":0.03368619050365304,"volume":534.3435909752995,"volume_molar":17.87717955031733,"formula_full":"Ca10 Fe2 Pb6","formula_reduced":"Ca5FePb3","formula_anonymous":"AB3C5","energy":-63.6891458,"energy_per_atom":-3.5382858777777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.6891458,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5892879,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.215000Z","spacegroup":193},{"id":"mp-1105764","created_at":"2022-09-04T14:41:01.067880Z","structure_string":"Pr10 Si6\n1.0\n-7.893193 0.000000 0.000000\n0.000000 7.893193 0.000000\n3.946597 -3.946597 -6.979586\nPr Si\n10 6\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.967826 0.824229 0.292055 Pr\n0.324229 0.467826 0.292055 Pr\n0.824229 0.324229 0.292055 Pr\n0.467826 0.967826 0.292055 Pr\n0.032174 0.175771 0.707945 Pr\n0.675771 0.532174 0.707945 Pr\n0.175771 0.675771 0.707945 Pr\n0.532174 0.032174 0.707945 Pr\n0.750000 0.750000 0.500000 Si\n0.250000 0.250000 0.500000 Si\n0.614491 0.885509 0.000000 Si\n0.385509 0.114491 0.000000 Si\n0.885509 0.385509 0.000000 Si\n0.114491 0.614491 0.000000 Si\n","nsites":16,"nelements":2,"elements":["Pr","Si"],"chemical_system":"Pr-Si","density":6.02431951285362,"density_atomic":0.036794666903811404,"volume":434.84562699880365,"volume_molar":16.366884841607828,"formula_full":"Pr10 Si6","formula_reduced":"Pr5Si3","formula_anonymous":"A3B5","energy":-89.08695364,"energy_per_atom":-5.5679346025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.51295364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0586227,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.359000Z","spacegroup":140},{"id":"mp-1368847","created_at":"2022-09-04T14:41:01.072025Z","structure_string":"Ca4 Al2 Bi2 O10\n1.0\n5.657628 0.000000 0.000000\n-0.004275 6.042380 0.000000\n-2.620247 -3.018791 7.787238\nCa Al Bi O\n4 2 2 10\ndirect\n0.835752 0.387840 0.760549 Ca\n0.586717 0.178023 0.289368 Ca\n0.080696 0.617353 0.289155 Ca\n0.363171 0.866740 0.761727 Ca\n0.719987 0.825330 0.514207 Al\n0.219175 0.192010 0.515338 Al\n0.477306 0.488543 0.992178 Bi\n0.991740 0.997348 0.991137 Bi\n0.411441 0.938309 0.496043 O\n0.907567 0.059055 0.490290 O\n0.364896 0.449110 0.701888 O\n0.706230 0.566903 0.334807 O\n0.843041 0.746372 0.700064 O\n0.206134 0.273726 0.335894 O\n0.886941 0.642489 0.033981 O\n0.659621 0.176282 0.885405 O\n0.149499 0.189050 0.858540 O\n0.396452 0.891738 0.035287 O\n","nsites":18,"nelements":4,"elements":["Ca","Al","Bi","O"],"chemical_system":"Al-Bi-Ca-O","density":4.941678002774244,"density_atomic":0.06761555768355909,"volume":266.210922702731,"volume_molar":8.906442490918476,"formula_full":"Ca4 Al2 Bi2 O10","formula_reduced":"Ca2AlBiO5","formula_anonymous":"ABC2D5","energy":-122.7438209,"energy_per_atom":-6.819101161111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.8738209,"band_gap":2.3709,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.566000Z","spacegroup":1},{"id":"mp-10866","created_at":"2022-09-04T14:41:01.078238Z","structure_string":"Np1 Ge2 Pd2\n1.0\n-2.101521 2.101521 5.283273\n2.101521 -2.101521 5.283273\n2.101521 2.101521 -5.283273\nNp Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.615937 0.615937 0.000000 Ge\n0.384063 0.384063 0.000000 Ge\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Np","Ge","Pd"],"chemical_system":"Ge-Np-Pd","density":10.588224260279413,"density_atomic":0.053572201334088,"volume":93.3319870284759,"volume_molar":11.241167265919518,"formula_full":"Np1 Ge2 Pd2","formula_reduced":"Np(GePd)2","formula_anonymous":"AB2C2","energy":-34.81475723,"energy_per_atom":-6.962951446,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.81475723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9701386,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.571000Z","spacegroup":139},{"id":"mp-13938","created_at":"2022-09-04T14:41:01.085899Z","structure_string":"Sr2 Dy1 Re1 O6\n1.0\n0.000000 4.175074 4.175074\n4.175074 0.000000 4.175074\n4.175074 4.175074 0.000000\nSr Dy Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Re\n0.764087 0.235913 0.764087 O\n0.235913 0.235913 0.764087 O\n0.764087 0.764087 0.235913 O\n0.764087 0.235913 0.235913 O\n0.235913 0.764087 0.235913 O\n0.235913 0.764087 0.764087 O\n","nsites":10,"nelements":4,"elements":["Sr","Dy","Re","O"],"chemical_system":"Dy-O-Re-Sr","density":7.072592079412918,"density_atomic":0.06870328009783576,"volume":145.55345808467467,"volume_molar":8.76543412690671,"formula_full":"Sr2 Dy1 Re1 O6","formula_reduced":"Sr2DyReO6","formula_anonymous":"ABC2D6","energy":-80.13249489,"energy_per_atom":-8.013249489,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.01049489,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0919374,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.054000Z","spacegroup":225},{"id":"mp-626413","created_at":"2022-09-04T14:41:01.087722Z","structure_string":"Yb2 H6 O6\n1.0\n3.143803 -5.445227 0.000000\n3.143803 5.445227 0.000000\n0.000000 0.000000 3.543925\nYb H O\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Yb\n0.666667 0.333333 0.750000 Yb\n0.834827 0.714171 0.250000 H\n0.879344 0.165173 0.250000 H\n0.285829 0.120656 0.250000 H\n0.165173 0.285829 0.750000 H\n0.120656 0.834827 0.750000 H\n0.714171 0.879344 0.750000 H\n0.918819 0.618107 0.250000 O\n0.699289 0.081181 0.250000 O\n0.381893 0.300711 0.250000 O\n0.081181 0.381893 0.750000 O\n0.300711 0.918819 0.750000 O\n0.618107 0.699289 0.750000 O\n","nsites":14,"nelements":3,"elements":["Yb","H","O"],"chemical_system":"H-O-Yb","density":6.132838224359404,"density_atomic":0.11538310036085005,"volume":121.334926485909,"volume_molar":5.219257188588543,"formula_full":"Yb2 H6 O6","formula_reduced":"Yb(HO)3","formula_anonymous":"AB3C3","energy":-77.75224026,"energy_per_atom":-5.553731447142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.63024026,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0013789,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.196000Z","spacegroup":176},{"id":"mp-1246201","created_at":"2022-09-04T14:41:01.099769Z","structure_string":"Sr10 Re4 N12\n1.0\n6.336473 -0.207625 -0.082164\n-3.759077 5.999950 0.000000\n-2.252949 -1.411513 13.050341\nSr Re N\n10 4 12\ndirect\n0.121200 0.799162 0.996412 Sr\n0.878800 0.677962 0.503588 Sr\n0.878800 0.200838 0.003588 Sr\n0.121200 0.322038 0.496412 Sr\n0.316775 0.064743 0.714858 Sr\n0.683225 0.747967 0.785142 Sr\n0.683225 0.935257 0.285142 Sr\n0.316775 0.252033 0.214858 Sr\n0.000000 0.385733 0.750000 Sr\n0.000000 0.614267 0.250000 Sr\n0.537985 0.872734 0.559601 Re\n0.462015 0.334748 0.940399 Re\n0.462015 0.127266 0.440399 Re\n0.537985 0.665252 0.059601 Re\n0.891897 0.996973 0.621923 N\n0.108103 0.105076 0.878077 N\n0.108103 0.003027 0.378077 N\n0.891897 0.894924 0.121923 N\n0.291193 0.697776 0.642057 N\n0.708807 0.406582 0.857943 N\n0.708807 0.302224 0.357943 N\n0.291193 0.593418 0.142057 N\n0.586359 0.250859 0.579217 N\n0.413641 0.664501 0.920783 N\n0.413641 0.749141 0.420783 N\n0.586359 0.335499 0.079217 N\n","nsites":26,"nelements":3,"elements":["Sr","Re","N"],"chemical_system":"N-Re-Sr","density":6.132836859954508,"density_atomic":0.05367215188748019,"volume":484.42253730588504,"volume_molar":11.220233488355351,"formula_full":"Sr10 Re4 N12","formula_reduced":"Sr5(ReN3)2","formula_anonymous":"A2B5C6","energy":-187.834284,"energy_per_atom":-7.224395538461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.502284,"band_gap":0.4401000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025523,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.935000Z","spacegroup":15},{"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-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}]}