{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=25","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=23","results":[{"id":"mp-1175981","created_at":"2022-09-04T14:39:12.331859Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n3.016419 0.000000 0.000000\n-0.326503 10.020440 0.000000\n-0.208363 -2.941563 9.684242\nLi Mn Co O\n9 2 5 16\ndirect\n0.999018 0.251256 0.247119 Li\n0.499069 0.502125 0.756039 Li\n0.003832 0.750297 0.246309 Li\n0.500597 0.498185 0.244256 Li\n0.002025 0.749246 0.751952 Li\n0.502993 0.997674 0.251292 Li\n0.497589 0.001890 0.748540 Li\n0.994814 0.249058 0.754692 Li\n0.000026 0.500034 0.000030 Li\n0.000053 0.999789 0.999938 Mn\n0.499744 0.250544 0.500454 Mn\n0.500298 0.749449 0.499526 Co\n0.998084 0.502110 0.499712 Co\n0.507343 0.738467 0.999272 Co\n0.001723 0.997799 0.500227 Co\n0.492870 0.261503 0.000821 Co\n0.476485 0.129814 0.110746 O\n0.964181 0.376993 0.618011 O\n0.496115 0.640086 0.114963 O\n0.973882 0.365487 0.114538 O\n0.504457 0.625513 0.614655 O\n0.975787 0.875185 0.113948 O\n0.006428 0.873776 0.616871 O\n0.506897 0.122364 0.613489 O\n0.493039 0.377445 0.386538 O\n0.028195 0.634755 0.885355 O\n0.495832 0.874944 0.385308 O\n0.993818 0.626030 0.382442 O\n0.523684 0.870651 0.889452 O\n0.035147 0.123364 0.382617 O\n0.022019 0.124506 0.885994 O\n0.503954 0.359661 0.884895 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.101513842634642,"density_atomic":0.10932157631728198,"volume":292.7144034872585,"volume_molar":5.50864793837408,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.08251934,"energy_per_atom":-6.471328729375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.56451934,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.780000Z","spacegroup":1},{"id":"mp-1213453","created_at":"2022-09-04T14:39:14.065482Z","structure_string":"La2 Ni1 As2 O1\n1.0\n3.323067 0.000000 0.000000\n0.000000 3.323067 0.000000\n0.000000 0.000000 15.043128\nLa Ni As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.140503 La\n0.500000 0.500000 0.859497 La\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.655998 As\n0.500000 0.500000 0.344002 As\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":4,"elements":["La","Ni","As","O"],"chemical_system":"As-La-Ni-O","density":5.021535212234063,"density_atomic":0.0361189323336821,"volume":166.11786706676267,"volume_molar":16.673086303783553,"formula_full":"La2 Ni1 As2 O1","formula_reduced":"La2NiAs2O","formula_anonymous":"ABC2D2","energy":-31.12288384,"energy_per_atom":-5.187147306666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.89488384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9654268,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.613000Z","spacegroup":123},{"id":"mp-3408","created_at":"2022-09-04T14:39:12.974253Z","structure_string":"Ce2 Al2 O6\n1.0\n4.642978 -2.686120 0.000000\n4.642978 2.686120 0.000000\n3.088967 0.000000 4.385290\nCe Al O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.793998 0.706002 O\n0.706002 0.250000 0.793998 O\n0.793998 0.706002 0.250000 O\n0.750000 0.206002 0.293998 O\n0.206002 0.293998 0.750000 O\n0.293998 0.750000 0.206002 O\n","nsites":10,"nelements":3,"elements":["Ce","Al","O"],"chemical_system":"Al-Ce-O","density":6.5307122529283665,"density_atomic":0.09142177506575336,"volume":109.38313101892511,"volume_molar":6.587206117654893,"formula_full":"Ce2 Al2 O6","formula_reduced":"CeAlO3","formula_anonymous":"ABC3","energy":-85.24783622,"energy_per_atom":-8.524783622,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.12583622,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999995,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.020000Z","spacegroup":167},{"id":"mp-1223714","created_at":"2022-09-04T14:39:17.036601Z","structure_string":"K5 Sb4\n1.0\n2.766012 6.269179 0.000000\n-2.766012 6.269179 0.000000\n0.000000 4.213131 10.585867\nK Sb\n5 4\ndirect\n0.100538 0.100538 0.109594 K\n0.899396 0.899396 0.893465 K\n0.751993 0.751993 0.334542 K\n0.241812 0.241812 0.666753 K\n0.979395 0.979395 0.512807 K\n0.456878 0.456878 0.324096 Sb\n0.544608 0.544608 0.675230 Sb\n0.395147 0.395147 0.109306 Sb\n0.605233 0.605233 0.891507 Sb\n","nsites":9,"nelements":2,"elements":["K","Sb"],"chemical_system":"K-Sb","density":3.087099575952834,"density_atomic":0.02451440464455343,"volume":367.13108600822596,"volume_molar":24.565723081257815,"formula_full":"K5 Sb4","formula_reduced":"K5Sb4","formula_anonymous":"A4B5","energy":-26.695348030000005,"energy_per_atom":-2.9661497811111115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.92734803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027818,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.633000Z","spacegroup":8},{"id":"mp-1077","created_at":"2022-09-04T14:39:12.331510Z","structure_string":"B4 Ru2\n1.0\n2.883110 0.000000 0.000000\n0.000000 4.055214 0.000000\n0.000000 0.000000 4.666800\nB Ru\n4 2\ndirect\n0.000000 0.363571 0.803892 B\n0.500000 0.636429 0.696108 B\n0.000000 0.363571 0.196108 B\n0.500000 0.636429 0.303892 B\n0.000000 0.848313 0.000000 Ru\n0.500000 0.151687 0.500000 Ru\n","nsites":6,"nelements":2,"elements":["B","Ru"],"chemical_system":"B-Ru","density":7.467945844068766,"density_atomic":0.10996565646475934,"volume":54.56248971625808,"volume_molar":5.4763832214559764,"formula_full":"B4 Ru2","formula_reduced":"B2Ru","formula_anonymous":"AB2","energy":-46.98180171,"energy_per_atom":-7.830300285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.98180171,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012654,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.242000Z","spacegroup":59},{"id":"mp-973769","created_at":"2022-09-04T14:39:13.399578Z","structure_string":"Hf6 Al16 Os7\n1.0\n0.000000 6.156906 6.156906\n6.156906 0.000000 6.156906\n6.156906 6.156906 0.000000\nHf Al Os\n6 16 7\ndirect\n0.205216 0.794784 0.794784 Hf\n0.794784 0.205216 0.205216 Hf\n0.794784 0.205216 0.794784 Hf\n0.794784 0.794784 0.205216 Hf\n0.205216 0.794784 0.205216 Hf\n0.205216 0.205216 0.794784 Hf\n0.836628 0.836628 0.836628 Al\n0.836628 0.836628 0.490116 Al\n0.490116 0.836628 0.836628 Al\n0.836628 0.490116 0.836628 Al\n0.163372 0.163372 0.163372 Al\n0.163372 0.163372 0.509884 Al\n0.163372 0.509884 0.163372 Al\n0.509884 0.163372 0.163372 Al\n0.619760 0.619760 0.619760 Al\n0.619760 0.619760 0.140721 Al\n0.140721 0.619760 0.619760 Al\n0.619760 0.140721 0.619760 Al\n0.380240 0.380240 0.380240 Al\n0.380240 0.380240 0.859279 Al\n0.380240 0.859279 0.380240 Al\n0.859279 0.380240 0.380240 Al\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n","nsites":29,"nelements":3,"elements":["Hf","Al","Os"],"chemical_system":"Al-Hf-Os","density":10.082550255762762,"density_atomic":0.06212700717195618,"volume":466.7857236343819,"volume_molar":9.693273560292091,"formula_full":"Hf6 Al16 Os7","formula_reduced":"Hf6Al16Os7","formula_anonymous":"A6B7C16","energy":-213.6677024,"energy_per_atom":-7.367851806896551,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.6677024,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3362519,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.628000Z","spacegroup":225},{"id":"mp-1192193","created_at":"2022-09-04T14:39:13.022143Z","structure_string":"Dy8 Rh5 C12\n1.0\n0.000000 3.556964 0.000000\n0.510601 0.000000 -7.400764\n-13.970126 -1.778482 0.000000\nDy Rh C\n8 5 12\ndirect\n0.293713 0.883998 0.587426 Dy\n0.706287 0.116002 0.412574 Dy\n0.300426 0.390778 0.600852 Dy\n0.699574 0.609222 0.399148 Dy\n0.411936 0.171678 0.823873 Dy\n0.588064 0.828322 0.176127 Dy\n0.452938 0.703081 0.905875 Dy\n0.547062 0.296919 0.094125 Dy\n0.000000 0.000000 0.000000 Rh\n0.109963 0.492553 0.219925 Rh\n0.890037 0.507447 0.780075 Rh\n0.116615 0.127703 0.233229 Rh\n0.883385 0.872297 0.766771 Rh\n0.022682 0.755319 0.045365 C\n0.977318 0.244681 0.954635 C\n0.047827 0.613932 0.095655 C\n0.952173 0.386068 0.904345 C\n0.168299 0.347244 0.336599 C\n0.831701 0.652756 0.663401 C\n0.216473 0.364739 0.432946 C\n0.783527 0.635261 0.567054 C\n0.158679 0.873672 0.317357 C\n0.841321 0.126328 0.682643 C\n0.207185 0.869021 0.414370 C\n0.792815 0.130979 0.585630 C\n","nsites":25,"nelements":3,"elements":["Dy","Rh","C"],"chemical_system":"C-Dy-Rh","density":8.84404399494397,"density_atomic":0.06798039135356912,"volume":367.7531050089703,"volume_molar":8.858643853164322,"formula_full":"Dy8 Rh5 C12","formula_reduced":"Dy8Rh5C12","formula_anonymous":"A5B8C12","energy":-194.15529156,"energy_per_atom":-7.7662116624,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.15529156,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1007987,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.361000Z","spacegroup":12},{"id":"mp-1104855","created_at":"2022-09-04T14:39:13.024279Z","structure_string":"Yb1 Mn4 Al8\n1.0\n0.000000 0.000000 5.173352\n-4.389970 4.389970 2.586676\n-4.389970 -4.389970 2.586676\nYb Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.331760 0.668240 Al\n0.000000 0.668240 0.331760 Al\n0.668240 0.331760 0.331760 Al\n0.331760 0.668240 0.668240 Al\n0.500000 0.773541 0.226459 Al\n0.500000 0.226459 0.773541 Al\n0.726459 0.773541 0.773541 Al\n0.273541 0.226459 0.226459 Al\n","nsites":13,"nelements":3,"elements":["Yb","Mn","Al"],"chemical_system":"Al-Mn-Yb","density":5.068595826774926,"density_atomic":0.06519559040721937,"volume":199.39998884587843,"volume_molar":9.237036925940846,"formula_full":"Yb1 Mn4 Al8","formula_reduced":"Yb(MnAl2)4","formula_anonymous":"AB4C8","energy":-71.77276707,"energy_per_atom":-5.520982082307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.77276707,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.7044914,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.217000Z","spacegroup":139},{"id":"mp-11267","created_at":"2022-09-04T14:39:12.634534Z","structure_string":"Ba1 Hg2\n1.0\n2.614843 -4.529040 0.000000\n2.614843 4.529040 0.000000\n0.000000 0.000000 4.346182\nBa Hg\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n","nsites":3,"nelements":2,"elements":["Ba","Hg"],"chemical_system":"Ba-Hg","density":8.686618959940219,"density_atomic":0.02914282012489497,"volume":102.94130722912706,"volume_molar":20.664234738406957,"formula_full":"Ba1 Hg2","formula_reduced":"BaHg2","formula_anonymous":"AB2","energy":-4.04367412,"energy_per_atom":-1.3478913733333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.04367412,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0048147,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.135000Z","spacegroup":191},{"id":"mp-22420","created_at":"2022-09-04T14:39:13.032326Z","structure_string":"Cu4 Te4 O16\n1.0\n4.782546 -0.032451 0.000000\n-0.037934 5.600994 0.000000\n0.000000 0.000000 10.465388\nCu Te O\n4 4 16\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.467929 0.206158 0.751210 Te\n0.032071 0.293842 0.251210 Te\n0.967929 0.706158 0.748790 Te\n0.532071 0.793842 0.248790 Te\n0.295222 0.229166 0.918146 O\n0.704778 0.770834 0.081854 O\n0.660325 0.241107 0.592855 O\n0.795222 0.729166 0.581854 O\n0.789376 0.032218 0.330886 O\n0.774620 0.532627 0.319708 O\n0.289376 0.532218 0.169114 O\n0.725380 0.967373 0.819708 O\n0.710624 0.467782 0.830886 O\n0.160325 0.741107 0.907145 O\n0.210624 0.967782 0.669114 O\n0.339675 0.758893 0.407145 O\n0.225380 0.467373 0.680292 O\n0.204778 0.270834 0.418146 O\n0.839675 0.258893 0.092855 O\n0.274620 0.032627 0.180292 O\n","nsites":24,"nelements":3,"elements":["Cu","Te","O"],"chemical_system":"Cu-O-Te","density":6.045526492257487,"density_atomic":0.08561534332179634,"volume":280.3235853390542,"volume_molar":7.033950371915237,"formula_full":"Cu4 Te4 O16","formula_reduced":"CuTeO4","formula_anonymous":"ABC4","energy":-137.67305744,"energy_per_atom":-5.736377393333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.68105744000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001085,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.889000Z","spacegroup":14},{"id":"mp-1069613","created_at":"2022-09-04T14:39:13.035099Z","structure_string":"Er2 Bi1 O2\n1.0\n-1.926625 1.926625 6.742918\n1.926625 -1.926625 6.742918\n1.926625 1.926625 -6.742918\nEr Bi O\n2 1 2\ndirect\n0.669392 0.669392 0.000000 Er\n0.330608 0.330608 0.000000 Er\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Er","Bi","O"],"chemical_system":"Bi-Er-O","density":9.545310496236993,"density_atomic":0.049942209472183,"volume":100.11571480002138,"volume_molar":12.05821853627488,"formula_full":"Er2 Bi1 O2","formula_reduced":"Er2BiO2","formula_anonymous":"AB2C2","energy":-37.85668275,"energy_per_atom":-7.57133655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.48268275,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001919,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.921000Z","spacegroup":139},{"id":"mp-1099118","created_at":"2022-09-04T14:39:14.099086Z","structure_string":"Ca1 Ce1 Mg6\n1.0\n3.397970 -5.625157 0.000000\n3.397970 5.625157 0.000000\n0.000000 0.000000 5.333085\nCa Ce Mg\n1 1 6\ndirect\n0.843203 0.156797 0.000000 Ca\n0.654966 0.345034 0.500000 Ce\n0.835563 0.665938 0.000000 Mg\n0.334062 0.164437 0.000000 Mg\n0.336689 0.663311 0.000000 Mg\n0.668103 0.832923 0.500000 Mg\n0.167077 0.331897 0.500000 Mg\n0.160339 0.839661 0.500000 Mg\n","nsites":8,"nelements":3,"elements":["Ca","Ce","Mg"],"chemical_system":"Ca-Ce-Mg","density":2.6554368586135024,"density_atomic":0.039239846262579495,"volume":203.87439712344343,"volume_molar":15.347003960468944,"formula_full":"Ca1 Ce1 Mg6","formula_reduced":"CaCeMg6","formula_anonymous":"ABC6","energy":-16.80568293,"energy_per_atom":-2.10071036625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.80568293,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3747844,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.278000Z","spacegroup":38}]}