{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=25","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=23","results":[{"id":"mp-1199631","created_at":"2022-09-04T14:41:00.781810Z","structure_string":"Na4 Ca4 Al4 O4 F24\n1.0\n5.720497 0.000000 0.000000\n0.000000 5.614215 0.000000\n0.000000 0.416863 16.406431\nNa Ca Al O F\n4 4 4 4 24\ndirect\n0.662164 0.750854 0.751264 Na\n0.162164 0.249146 0.748736 Na\n0.337836 0.249146 0.248736 Na\n0.837836 0.750854 0.251264 Na\n0.217523 0.752830 0.610955 Ca\n0.717523 0.247170 0.889045 Ca\n0.782477 0.247170 0.389045 Ca\n0.282477 0.752830 0.110955 Ca\n0.698453 0.263888 0.635699 Al\n0.198453 0.736112 0.864301 Al\n0.301547 0.736112 0.364301 Al\n0.801547 0.263888 0.135699 Al\n0.066954 0.085087 0.504858 O\n0.566954 0.914913 0.995142 O\n0.933046 0.914913 0.495142 O\n0.433046 0.085087 0.004858 O\n0.975495 0.432908 0.625744 F\n0.475495 0.567092 0.874256 F\n0.024505 0.567092 0.374256 F\n0.524505 0.432908 0.125744 F\n0.877390 0.991408 0.653217 F\n0.377390 0.008592 0.846783 F\n0.122610 0.008592 0.346783 F\n0.622610 0.991408 0.153217 F\n0.534699 0.541742 0.635045 F\n0.034699 0.458258 0.864955 F\n0.465301 0.458258 0.364955 F\n0.965301 0.541742 0.135045 F\n0.431928 0.082090 0.654103 F\n0.931928 0.917910 0.845897 F\n0.568072 0.917910 0.345897 F\n0.068072 0.082090 0.154103 F\n0.219816 0.694216 0.751839 F\n0.719816 0.305784 0.748161 F\n0.780184 0.305784 0.248161 F\n0.280184 0.694216 0.251839 F\n0.661900 0.249729 0.526912 F\n0.161900 0.750271 0.973088 F\n0.338100 0.750271 0.473088 F\n0.838100 0.249729 0.026912 F\n","nsites":40,"nelements":5,"elements":["Na","Ca","Al","O","F"],"chemical_system":"Al-Ca-F-Na-O","density":2.773780453622766,"density_atomic":0.07591420924312425,"volume":526.9105797031391,"volume_molar":7.932824197263757,"formula_full":"Na4 Ca4 Al4 O4 F24","formula_reduced":"NaCaAlOF6","formula_anonymous":"ABCDE6","energy":-229.16905648,"energy_per_atom":-5.729226412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.43705648,"band_gap":1.4912999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0409091,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.932000Z","spacegroup":14},{"id":"mp-1521050","created_at":"2022-09-04T14:41:04.341230Z","structure_string":"Sr1 Eu1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.018222 -4.018222\n4.018222 0.000000 -4.018222\n4.018222 -4.018222 -0.000000\nSr Eu Hf Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.754224 0.245776 0.245776 O\n0.245776 0.754224 0.754224 O\n0.754224 0.245776 0.754224 O\n0.245776 0.754224 0.245776 O\n0.754224 0.754224 0.245776 O\n0.245776 0.245776 0.754224 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Hf","Fe","O"],"chemical_system":"Eu-Fe-Hf-O-Sr","density":7.293361042049145,"density_atomic":0.07706695910287494,"volume":129.75729309172854,"volume_molar":7.814166836349648,"formula_full":"Sr1 Eu1 Hf1 Fe1 O6","formula_reduced":"SrEuHfFeO6","formula_anonymous":"ABCDE6","energy":-90.37941414,"energy_per_atom":-9.037941413999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.00141414000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.057000Z","spacegroup":216},{"id":"mp-1523008","created_at":"2022-09-04T14:40:07.352567Z","structure_string":"Eu1 Zr1 Cr1 Bi1 O6\n1.0\n0.000000 -4.044644 -4.044644\n4.044644 0.000000 -4.044644\n4.044644 -4.044644 -0.000000\nEu Zr Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Bi\n0.756573 0.243427 0.243427 O\n0.243427 0.756573 0.756573 O\n0.756573 0.243427 0.756573 O\n0.243427 0.756573 0.243427 O\n0.756573 0.756573 0.243427 O\n0.243427 0.243427 0.756573 O\n","nsites":10,"nelements":5,"elements":["Eu","Zr","Cr","Bi","O"],"chemical_system":"Bi-Cr-Eu-O-Zr","density":7.530882883132209,"density_atomic":0.07556646356830224,"volume":132.33383604039247,"volume_molar":7.969329879460045,"formula_full":"Eu1 Zr1 Cr1 Bi1 O6","formula_reduced":"EuZrCrBiO6","formula_anonymous":"ABCDE6","energy":-88.75378042,"energy_per_atom":-8.875378042,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.63278041999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.8635033,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.770000Z","spacegroup":216},{"id":"mp-1522563","created_at":"2022-09-04T14:47:33.220314Z","structure_string":"Na1 Sr1 Tb1 Sb1 O6\n1.0\n-0.000000 -4.208100 -4.208100\n4.208100 0.000000 -4.208100\n4.208100 -4.208100 -0.000000\nNa Sr Tb Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 -0.000000 Sb\n0.763880 0.236120 0.236120 O\n0.236120 0.763880 0.763880 O\n0.763880 0.236120 0.763880 O\n0.236120 0.763880 0.236120 O\n0.763880 0.763880 0.236120 O\n0.236120 0.236120 0.763880 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Tb","Sb","O"],"chemical_system":"Na-O-Sb-Sr-Tb","density":5.429374511087324,"density_atomic":0.06709835131983016,"volume":149.03495843488201,"volume_molar":8.975094978556088,"formula_full":"Na1 Sr1 Tb1 Sb1 O6","formula_reduced":"NaSrTbSbO6","formula_anonymous":"ABCDE6","energy":-67.45595420000001,"energy_per_atom":-6.745595420000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.33395420000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:38:10.091000Z","spacegroup":216},{"id":"mp-1516685","created_at":"2022-09-04T14:40:13.494023Z","structure_string":"Ba1 Ca1 Eu1 Se1 O6\n1.0\n-0.000000 -4.105685 -4.105685\n4.105685 0.000000 -4.105685\n4.105685 -4.105685 -0.000000\nBa Ca Eu Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Se\n0.724403 0.275597 0.275597 O\n0.275597 0.724403 0.724403 O\n0.724403 0.275597 0.724403 O\n0.275597 0.724403 0.275597 O\n0.724403 0.724403 0.275597 O\n0.275597 0.275597 0.724403 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Eu","Se","O"],"chemical_system":"Ba-Ca-Eu-O-Se","density":6.050246449722205,"density_atomic":0.07224588681337225,"volume":138.4161845204046,"volume_molar":8.335617466440096,"formula_full":"Ba1 Ca1 Eu1 Se1 O6","formula_reduced":"BaCaEuSeO6","formula_anonymous":"ABCDE6","energy":-72.60597327,"energy_per_atom":-7.260597327000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.48397327,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9685089,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.733000Z","spacegroup":216},{"id":"mp-1519497","created_at":"2022-09-04T14:39:16.435632Z","structure_string":"K4 Sr4 Nd4 Mn4 O24\n1.0\n8.426559 0.000000 0.000000\n0.000000 8.414896 0.000000\n0.000000 0.000000 8.433225\nK Sr Nd Mn O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n0.975139 0.240389 0.259072 O\n0.024861 0.759611 0.259072 O\n0.024861 0.240389 0.740928 O\n0.975139 0.759611 0.740928 O\n0.260713 0.977113 0.224353 O\n0.260713 0.022887 0.775647 O\n0.739287 0.022887 0.224353 O\n0.739287 0.977113 0.775647 O\n0.238590 0.246910 0.976336 O\n0.761410 0.246910 0.023664 O\n0.238590 0.753090 0.023664 O\n0.761410 0.753090 0.976336 O\n0.524861 0.259611 0.240928 O\n0.475139 0.740389 0.240928 O\n0.475139 0.259611 0.759072 O\n0.524861 0.740389 0.759072 O\n0.239287 0.522887 0.275647 O\n0.239287 0.477113 0.724353 O\n0.760713 0.477113 0.275647 O\n0.760713 0.522887 0.724353 O\n0.261410 0.253090 0.523664 O\n0.738590 0.253090 0.476336 O\n0.261410 0.746910 0.476336 O\n0.738590 0.746910 0.523664 O\n","nsites":40,"nelements":5,"elements":["K","Sr","Nd","Mn","O"],"chemical_system":"K-Mn-Nd-O-Sr","density":4.686196533321011,"density_atomic":0.06689093783909471,"volume":597.9883268525773,"volume_molar":9.00292469285777,"formula_full":"K4 Sr4 Nd4 Mn4 O24","formula_reduced":"KSrNdMnO6","formula_anonymous":"ABCDE6","energy":-278.90158808,"energy_per_atom":-6.972539702000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.74158808,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000004,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.021000Z","spacegroup":48},{"id":"mp-1520553","created_at":"2022-09-04T14:47:55.102358Z","structure_string":"K1 Ba1 Eu1 W1 O6\n1.0\n-0.000000 -4.270054 -4.270054\n4.270054 0.000000 -4.270054\n4.270054 -4.270054 -0.000000\nK Ba Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n-0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 W\n0.728742 0.271258 0.271258 O\n0.271258 0.728742 0.728742 O\n0.728742 0.271258 0.728742 O\n0.271258 0.728742 0.271258 O\n0.728742 0.728742 0.271258 O\n0.271258 0.271258 0.728742 O\n","nsites":10,"nelements":5,"elements":["K","Ba","Eu","W","O"],"chemical_system":"Ba-Eu-K-O-W","density":6.4861018940339354,"density_atomic":0.06421994105654093,"volume":155.71487353430825,"volume_molar":9.37736886849203,"formula_full":"K1 Ba1 Eu1 W1 O6","formula_reduced":"KBaEuWO6","formula_anonymous":"ABCDE6","energy":-83.27103967000001,"energy_per_atom":-8.327103967000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.71103967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.407000Z","spacegroup":216},{"id":"mp-1516716","created_at":"2022-09-04T14:48:11.802435Z","structure_string":"Ba2 Ca2 Ce2 Nb2 O12\n1.0\n5.956899 -0.009938 -0.019520\n-0.016284 6.029696 -0.024068\n-0.034736 -0.040492 8.502117\nBa Ca Ce Nb O\n2 2 2 2 12\ndirect\n0.505107 0.533762 0.250681 Ba\n0.494893 0.466238 0.749319 Ba\n0.989558 0.044503 0.253642 Ca\n0.010442 0.955497 0.746358 Ca\n0.000000 0.500000 -0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.500000 -0.000000 -0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.222938 0.187996 0.940483 O\n0.273475 0.699085 0.532764 O\n0.777062 0.812004 0.059517 O\n0.726525 0.300915 0.467236 O\n0.304810 0.729217 0.958860 O\n0.181753 0.217742 0.555418 O\n0.695190 0.270783 0.041140 O\n0.818247 0.782258 0.444582 O\n0.392159 0.998316 0.231728 O\n0.066260 0.443097 0.266400 O\n0.607841 0.001684 0.768272 O\n0.933740 0.556903 0.733600 O\n","nsites":20,"nelements":5,"elements":["Ba","Ca","Ce","Nb","O"],"chemical_system":"Ba-Ca-Ce-Nb-O","density":5.507652239825449,"density_atomic":0.06549427251781154,"volume":305.3702137780199,"volume_molar":9.194912056412637,"formula_full":"Ba2 Ca2 Ce2 Nb2 O12","formula_reduced":"BaCaCeNbO6","formula_anonymous":"ABCDE6","energy":-166.19428036,"energy_per_atom":-8.309714018,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.95028036,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.786000Z","spacegroup":2},{"id":"mp-1520966","created_at":"2022-09-04T14:40:59.922625Z","structure_string":"Ba2 Sr2 La2 Bi2 O12\n1.0\n6.148318 0.000000 0.000000\n0.000000 6.148318 -0.000000\n0.000000 -0.000000 8.909232\nBa Sr La Bi O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.250000 La\n-0.000000 0.500000 0.750000 La\n-0.000000 0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n-0.000000 0.000000 0.237050 O\n0.500000 0.500000 0.262950 O\n-0.000000 0.000000 0.762950 O\n0.500000 0.500000 0.737050 O\n0.314045 0.146358 0.027503 O\n0.685955 0.853642 0.027503 O\n0.853642 0.314045 0.972497 O\n0.146358 0.685955 0.972497 O\n0.814045 0.353642 0.527503 O\n0.185955 0.646358 0.527503 O\n0.353642 0.185955 0.472497 O\n0.646358 0.814045 0.472497 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","La","Bi","O"],"chemical_system":"Ba-Bi-La-O-Sr","density":6.595404742878491,"density_atomic":0.05938504417504294,"volume":336.7851329881668,"volume_molar":10.1408373836503,"formula_full":"Ba2 Sr2 La2 Bi2 O12","formula_reduced":"BaSrLaBiO6","formula_anonymous":"ABCDE6","energy":-137.75285857,"energy_per_atom":-6.8876429285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.50885857,"band_gap":1.9044,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.003000Z","spacegroup":118},{"id":"mp-1278251","created_at":"2022-09-04T14:40:19.119118Z","structure_string":"Sr2 La2 Ti2 Mn2 O12\n1.0\n-2.854705 4.915033 0.000495\n0.039369 3.300213 9.087483\n2.760514 4.860932 0.044320\nSr La Ti Mn O\n2 2 2 2 12\ndirect\n0.867899 0.373979 0.876115 Sr\n0.386438 0.874988 0.374523 Sr\n0.633688 0.121093 0.625781 La\n0.113502 0.619194 0.127687 La\n0.488098 0.497980 0.506607 Ti\n0.012916 0.997631 0.995800 Ti\n0.250550 0.249543 0.250906 Mn\n0.750071 0.750213 0.749500 Mn\n0.961688 0.870792 0.838913 O\n0.400581 0.384530 0.314522 O\n0.404254 0.886679 0.912541 O\n0.834272 0.377824 0.435426 O\n0.839752 0.878206 0.376782 O\n0.310697 0.372459 0.875079 O\n0.097449 0.619165 0.569080 O\n0.667984 0.123689 0.041022 O\n0.672465 0.627101 0.126601 O\n0.206063 0.127502 0.621914 O\n0.522741 0.626280 0.683751 O\n0.078887 0.121150 0.197446 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Ti","Mn","O"],"chemical_system":"La-Mn-O-Sr-Ti","density":5.67352120338355,"density_atomic":0.08033054598349983,"volume":248.97129423355432,"volume_molar":7.496700895369202,"formula_full":"Sr2 La2 Ti2 Mn2 O12","formula_reduced":"SrLaTiMnO6","formula_anonymous":"ABCDE6","energy":-171.88525589,"energy_per_atom":-8.5942627945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.30525589,"band_gap":1.5587,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0010948,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.323000Z","spacegroup":1},{"id":"mp-1519471","created_at":"2022-09-04T14:39:28.456890Z","structure_string":"Ba1 Tb1 Eu1 W1 O6\n1.0\n0.000000 -4.237821 -4.237821\n4.237821 0.000000 -4.237821\n4.237821 -4.237821 -0.000000\nBa Tb Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 -0.000000 -0.000000 Tb\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.735970 0.264030 0.264030 O\n0.264030 0.735970 0.735970 O\n0.735970 0.264030 0.735970 O\n0.264030 0.735970 0.264030 O\n0.735970 0.735970 0.264030 O\n0.264030 0.264030 0.735970 O\n","nsites":10,"nelements":5,"elements":["Ba","Tb","Eu","W","O"],"chemical_system":"Ba-Eu-O-Tb-W","density":7.9424432832828735,"density_atomic":0.06569649169895345,"volume":152.21512962707112,"volume_molar":9.166609364158687,"formula_full":"Ba1 Tb1 Eu1 W1 O6","formula_reduced":"BaTbEuWO6","formula_anonymous":"ABCDE6","energy":-89.649103,"energy_per_atom":-8.9649103,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.089103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.280000Z","spacegroup":216},{"id":"mp-1517370","created_at":"2022-09-04T14:40:42.110613Z","structure_string":"Ba1 Na1 Tb1 W1 O6\n1.0\n-0.000000 -4.219913 -4.219913\n4.219913 0.000000 -4.219913\n4.219913 -4.219913 -0.000000\nBa Na Tb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Tb","W","O"],"chemical_system":"Ba-Na-O-Tb-W","density":6.618999637085073,"density_atomic":0.06653643259751062,"volume":150.29360020684575,"volume_molar":9.050892157727901,"formula_full":"Ba1 Na1 Tb1 W1 O6","formula_reduced":"BaNaTbWO6","formula_anonymous":"ABCDE6","energy":-79.71744724,"energy_per_atom":-7.971744724,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.15744724,"band_gap":2.8478000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.781000Z","spacegroup":216}]}