{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=45","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=43","results":[{"id":"mp-3706","created_at":"2022-09-04T14:39:26.810058Z","structure_string":"Ho2 Co12 P7\n1.0\n4.499794 -7.793872 0.000000\n4.499794 7.793872 0.000000\n0.000000 0.000000 3.581853\nHo Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Ho\n0.333333 0.666667 0.000000 Ho\n0.119133 0.846333 0.000000 Co\n0.382503 0.435228 0.500000 Co\n0.727200 0.880867 0.000000 Co\n0.564772 0.947274 0.500000 Co\n0.234063 0.102514 0.500000 Co\n0.868451 0.765937 0.500000 Co\n0.897486 0.131549 0.500000 Co\n0.939947 0.374379 0.000000 Co\n0.625621 0.565569 0.000000 Co\n0.434431 0.060053 0.000000 Co\n0.052726 0.617497 0.500000 Co\n0.153667 0.272800 0.000000 Co\n0.000000 0.000000 0.000000 P\n0.597317 0.708695 0.500000 P\n0.706315 0.112878 0.000000 P\n0.887122 0.593438 0.000000 P\n0.406562 0.293685 0.000000 P\n0.291305 0.888622 0.500000 P\n0.111378 0.402683 0.500000 P\n","nsites":21,"nelements":3,"elements":["Ho","Co","P"],"chemical_system":"Co-Ho-P","density":8.287428495840098,"density_atomic":0.0835864035608773,"volume":251.2370326437764,"volume_molar":7.204689403359698,"formula_full":"Ho2 Co12 P7","formula_reduced":"Ho2Co12P7","formula_anonymous":"A2B7C12","energy":-149.30123646,"energy_per_atom":-7.109582688571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.30123646,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0243019,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.846000Z","spacegroup":174},{"id":"mp-1008805","created_at":"2022-09-04T14:39:26.582892Z","structure_string":"Re1 C2\n1.0\n1.439956 -2.494076 0.000000\n1.439956 2.494076 0.000000\n0.000000 0.000000 4.063497\nRe C\n1 2\ndirect\n0.666667 0.333333 0.500000 Re\n0.000000 0.000000 0.829262 C\n0.000000 0.000000 0.170738 C\n","nsites":3,"nelements":2,"elements":["Re","C"],"chemical_system":"C-Re","density":11.960563422508114,"density_atomic":0.102785631994739,"volume":29.18695873907311,"volume_molar":5.858932462767012,"formula_full":"Re1 C2","formula_reduced":"ReC2","formula_anonymous":"AB2","energy":-29.505831290000003,"energy_per_atom":-9.835277096666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.505831290000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052208,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.597000Z","spacegroup":187},{"id":"mp-1522768","created_at":"2022-09-04T14:39:26.583624Z","structure_string":"Ba4 Tb4 Eu4 Sn4 O24\n1.0\n8.533374 0.000000 0.000000\n0.000000 8.486371 0.000000\n0.000000 0.000000 8.520416\nBa Tb Eu Sn O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.750000 0.750000 0.750000 Sn\n0.250000 0.250000 0.750000 Sn\n0.250000 0.750000 0.250000 Sn\n0.750000 0.250000 0.250000 Sn\n0.990989 0.191222 0.285618 O\n0.009011 0.808778 0.285618 O\n0.009011 0.191222 0.714382 O\n0.990989 0.808778 0.714382 O\n0.305674 0.990719 0.203296 O\n0.305674 0.009281 0.796704 O\n0.694326 0.009281 0.203296 O\n0.694326 0.990719 0.796704 O\n0.226566 0.283743 0.990886 O\n0.773434 0.283743 0.009114 O\n0.226566 0.716257 0.009114 O\n0.773434 0.716257 0.990886 O\n0.509011 0.308778 0.214382 O\n0.490989 0.691222 0.214382 O\n0.490989 0.308778 0.785618 O\n0.509011 0.691222 0.785618 O\n0.194326 0.509281 0.296704 O\n0.194326 0.490719 0.703296 O\n0.805674 0.490719 0.296704 O\n0.805674 0.509281 0.703296 O\n0.273434 0.216257 0.509114 O\n0.726566 0.216257 0.490886 O\n0.273434 0.783743 0.490886 O\n0.726566 0.783743 0.509114 O\n","nsites":40,"nelements":5,"elements":["Ba","Tb","Eu","Sn","O"],"chemical_system":"Ba-Eu-O-Sn-Tb","density":7.13622309416951,"density_atomic":0.06482707069972012,"volume":617.0261831709248,"volume_molar":9.28954631915213,"formula_full":"Ba4 Tb4 Eu4 Sn4 O24","formula_reduced":"BaTbEuSnO6","formula_anonymous":"ABCDE6","energy":-322.58840365,"energy_per_atom":-8.06471009125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.10040365,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9355976,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.265000Z","spacegroup":48},{"id":"mp-1204905","created_at":"2022-09-04T14:39:25.129274Z","structure_string":"Y4 Al6 Co28\n1.0\n4.182944 -7.245072 0.000000\n4.182944 7.245072 0.000000\n0.000000 0.000000 8.173345\nY Al Co\n4 6 28\ndirect\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.333333 0.666667 0.389658 Co\n0.666667 0.333333 0.610342 Co\n0.666667 0.333333 0.889658 Co\n0.333333 0.666667 0.110342 Co\n0.327006 0.370120 0.250000 Co\n0.629880 0.956886 0.250000 Co\n0.043114 0.672994 0.250000 Co\n0.629880 0.672994 0.250000 Co\n0.043114 0.370120 0.250000 Co\n0.327006 0.956886 0.250000 Co\n0.672994 0.629880 0.750000 Co\n0.370120 0.043114 0.750000 Co\n0.956886 0.327006 0.750000 Co\n0.370120 0.327006 0.750000 Co\n0.956886 0.629880 0.750000 Co\n0.672994 0.043114 0.750000 Co\n0.162497 0.837503 0.512898 Co\n0.162497 0.324995 0.512898 Co\n0.675005 0.837503 0.512898 Co\n0.837503 0.162497 0.487102 Co\n0.837503 0.675005 0.487102 Co\n0.324995 0.162497 0.487102 Co\n0.837503 0.162497 0.012898 Co\n0.837503 0.675005 0.012898 Co\n0.324995 0.162497 0.012898 Co\n0.162497 0.837503 0.987102 Co\n0.162497 0.324995 0.987102 Co\n0.675005 0.837503 0.987102 Co\n","nsites":38,"nelements":3,"elements":["Y","Al","Co"],"chemical_system":"Al-Co-Y","density":7.265777431105354,"density_atomic":0.07670594306199843,"volume":495.3983809218808,"volume_molar":7.85094416365175,"formula_full":"Y4 Al6 Co28","formula_reduced":"Y2Al3Co14","formula_anonymous":"A2B3C14","energy":-255.29146889,"energy_per_atom":-6.7181965497368425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.29146889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.450878,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.940000Z","spacegroup":194},{"id":"mp-1203436","created_at":"2022-09-04T14:39:26.597275Z","structure_string":"Lu6 Co8 Ge26\n1.0\n8.741734 0.000000 0.000000\n0.000000 8.741734 0.000000\n0.000000 0.000000 8.741734\nLu Co Ge\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Lu\n0.500000 0.250000 0.000000 Lu\n0.750000 0.000000 0.500000 Lu\n0.000000 0.500000 0.250000 Lu\n0.500000 0.750000 0.000000 Lu\n0.250000 0.000000 0.500000 Lu\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.805728 0.346931 0.500000 Ge\n0.653069 0.500000 0.805728 Ge\n0.500000 0.194272 0.653069 Ge\n0.194272 0.653069 0.500000 Ge\n0.346931 0.500000 0.194272 Ge\n0.500000 0.805728 0.346931 Ge\n0.805728 0.653069 0.500000 Ge\n0.653069 0.500000 0.194272 Ge\n0.194272 0.346931 0.500000 Ge\n0.346931 0.500000 0.805728 Ge\n0.500000 0.805728 0.653069 Ge\n0.500000 0.194272 0.346931 Ge\n0.305728 0.000000 0.846931 Ge\n0.153069 0.305728 0.000000 Ge\n0.000000 0.153069 0.694272 Ge\n0.694272 0.000000 0.153069 Ge\n0.846931 0.694272 0.000000 Ge\n0.000000 0.846931 0.305728 Ge\n0.305728 0.000000 0.153069 Ge\n0.153069 0.694272 0.000000 Ge\n0.694272 0.000000 0.846931 Ge\n0.846931 0.305728 0.000000 Ge\n0.000000 0.153069 0.305728 Ge\n0.000000 0.846931 0.694272 Ge\n","nsites":40,"nelements":3,"elements":["Lu","Co","Ge"],"chemical_system":"Co-Ge-Lu","density":8.476156002996388,"density_atomic":0.05987799220152836,"volume":668.0250711375559,"volume_molar":10.057352523998436,"formula_full":"Lu6 Co8 Ge26","formula_reduced":"Lu3Co4Ge13","formula_anonymous":"A3B4C13","energy":-219.77733337,"energy_per_atom":-5.49443333425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.77733337,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.88e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.521000Z","spacegroup":223},{"id":"mp-1077377","created_at":"2022-09-04T14:39:25.850336Z","structure_string":"Yb2 Cu2 Pb2\n1.0\n2.358097 -4.084345 0.000000\n2.358097 4.084345 0.000000\n0.000000 0.000000 7.178349\nYb Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n","nsites":6,"nelements":3,"elements":["Yb","Cu","Pb"],"chemical_system":"Cu-Pb-Yb","density":10.658940568004493,"density_atomic":0.04339229300283018,"volume":138.27340259729215,"volume_molar":13.878364896750716,"formula_full":"Yb2 Cu2 Pb2","formula_reduced":"YbCuPb","formula_anonymous":"ABC","energy":-20.66962104,"energy_per_atom":-3.44493684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.66962104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005765,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.006000Z","spacegroup":194},{"id":"mp-1079221","created_at":"2022-09-04T14:39:25.442076Z","structure_string":"Th2 Si4 Pt4\n1.0\n4.277744 0.000000 0.000000\n0.000000 4.277744 0.000000\n0.000000 0.000000 9.903954\nTh Si Pt\n2 4 4\ndirect\n0.000000 0.500000 0.250780 Th\n0.500000 0.000000 0.749220 Th\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.865873 Si\n0.500000 0.000000 0.134127 Si\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.619219 Pt\n0.500000 0.000000 0.380781 Pt\n","nsites":10,"nelements":3,"elements":["Th","Si","Pt"],"chemical_system":"Pt-Si-Th","density":12.431171280189105,"density_atomic":0.055177472604128884,"volume":181.233382539013,"volume_molar":10.914129400608626,"formula_full":"Th2 Si4 Pt4","formula_reduced":"Th(SiPt)2","formula_anonymous":"AB2C2","energy":-72.0954782,"energy_per_atom":-7.20954782,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.0954782,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002991,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.468000Z","spacegroup":129},{"id":"mp-5408","created_at":"2022-09-04T14:39:27.662968Z","structure_string":"Ag6 As2 O8\n1.0\n6.246886 0.000000 0.000000\n0.000000 6.246886 0.000000\n0.000000 0.000000 6.246886\nAg As O\n6 2 8\ndirect\n0.000000 0.500000 0.250000 Ag\n0.000000 0.500000 0.750000 Ag\n0.750000 0.000000 0.500000 Ag\n0.500000 0.250000 0.000000 Ag\n0.250000 0.000000 0.500000 Ag\n0.500000 0.750000 0.000000 Ag\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.839220 0.839220 0.839220 O\n0.660780 0.339220 0.660780 O\n0.339220 0.660780 0.660780 O\n0.660780 0.660780 0.339220 O\n0.339220 0.339220 0.339220 O\n0.160780 0.160780 0.839220 O\n0.160780 0.839220 0.160780 O\n0.839220 0.160780 0.160780 O\n","nsites":16,"nelements":3,"elements":["Ag","As","O"],"chemical_system":"Ag-As-O","density":6.301187989984153,"density_atomic":0.06563405566419646,"volume":243.77588491347854,"volume_molar":9.175329330265802,"formula_full":"Ag6 As2 O8","formula_reduced":"Ag3AsO4","formula_anonymous":"AB3C4","energy":-81.40565436,"energy_per_atom":-5.0878533975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.90965436,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.414000Z","spacegroup":218},{"id":"mp-1095014","created_at":"2022-09-04T14:39:26.622359Z","structure_string":"Mg2 Bi4\n1.0\n1.753652 5.731319 0.000000\n-1.753652 5.731319 0.000000\n0.000000 4.153011 8.757652\nMg Bi\n2 4\ndirect\n0.810130 0.810130 0.626350 Mg\n0.189870 0.189870 0.373650 Mg\n0.156278 0.156278 0.928858 Bi\n0.529055 0.529055 0.665237 Bi\n0.470945 0.470945 0.334763 Bi\n0.843722 0.843722 0.071142 Bi\n","nsites":6,"nelements":2,"elements":["Mg","Bi"],"chemical_system":"Bi-Mg","density":8.34347126043184,"density_atomic":0.03408282420302381,"volume":176.04174948235902,"volume_molar":17.669136583657053,"formula_full":"Mg2 Bi4","formula_reduced":"MgBi2","formula_anonymous":"AB2","energy":-18.87307741,"energy_per_atom":-3.1455129016666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.87307741,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089568,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.225000Z","spacegroup":12},{"id":"mp-1220170","created_at":"2022-09-04T14:39:26.631836Z","structure_string":"Pr1 Ga6 Fe6\n1.0\n0.000000 0.000000 5.222454\n-4.255290 4.255290 2.611227\n-4.417834 -4.417834 -2.611227\nPr Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.647927 0.335729 0.631582 Ga\n0.352073 0.664271 0.368418 Ga\n0.016345 0.335729 0.368418 Ga\n0.983656 0.664271 0.631582 Ga\n0.715421 0.793628 0.224470 Fe\n0.284579 0.206372 0.775530 Fe\n0.490951 0.793628 0.775530 Fe\n0.509049 0.206372 0.224470 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n","nsites":13,"nelements":3,"elements":["Pr","Ga","Fe"],"chemical_system":"Fe-Ga-Pr","density":7.563046196018797,"density_atomic":0.0662064310484912,"volume":196.35554725006222,"volume_molar":9.096005727282352,"formula_full":"Pr1 Ga6 Fe6","formula_reduced":"Pr(GaFe)6","formula_anonymous":"AB6C6","energy":-75.64042539,"energy_per_atom":-5.818494260769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.64042539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.2047212,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.438000Z","spacegroup":69},{"id":"mp-21371","created_at":"2022-09-04T14:39:26.632966Z","structure_string":"V4 Co4 Si4\n1.0\n3.552236 0.000000 0.000000\n0.000000 5.961224 0.000000\n0.000000 0.000000 6.830504\nV Co Si\n4 4 4\ndirect\n0.750000 0.474966 0.677989 V\n0.250000 0.025034 0.177989 V\n0.750000 0.974966 0.822011 V\n0.250000 0.525034 0.322011 V\n0.250000 0.642836 0.938966 Co\n0.250000 0.142836 0.561034 Co\n0.750000 0.857164 0.438966 Co\n0.750000 0.357164 0.061034 Co\n0.250000 0.766903 0.623841 Si\n0.250000 0.266903 0.876159 Si\n0.750000 0.233097 0.376159 Si\n0.750000 0.733097 0.123841 Si\n","nsites":12,"nelements":3,"elements":["V","Co","Si"],"chemical_system":"Co-Si-V","density":6.335383158708464,"density_atomic":0.0829642981371413,"volume":144.64052935352757,"volume_molar":7.258713561398791,"formula_full":"V4 Co4 Si4","formula_reduced":"VCoSi","formula_anonymous":"ABC","energy":-93.38075276,"energy_per_atom":-7.781729396666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.66475276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010043,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.840000Z","spacegroup":62},{"id":"mp-1212117","created_at":"2022-09-04T14:39:28.477664Z","structure_string":"Ho4 Co4 B16\n1.0\n3.375033 0.000000 0.000000\n0.000000 5.886539 0.000000\n0.000000 0.000000 11.391222\nHo Co B\n4 4 16\ndirect\n0.500000 0.372646 0.149883 Ho\n0.500000 0.627354 0.850117 Ho\n0.500000 0.127354 0.649883 Ho\n0.500000 0.872646 0.350117 Ho\n0.500000 0.365194 0.410642 Co\n0.500000 0.634806 0.589358 Co\n0.500000 0.134806 0.910642 Co\n0.500000 0.865194 0.089358 Co\n0.000000 0.111452 0.046101 B\n0.000000 0.888548 0.953899 B\n0.000000 0.388548 0.546101 B\n0.000000 0.611452 0.453899 B\n0.000000 0.138759 0.467712 B\n0.000000 0.861241 0.532288 B\n0.000000 0.361241 0.967712 B\n0.000000 0.638759 0.032288 B\n0.000000 0.023294 0.191038 B\n0.000000 0.976706 0.808962 B\n0.000000 0.476706 0.691038 B\n0.000000 0.523294 0.308962 B\n0.000000 0.218181 0.315059 B\n0.000000 0.781819 0.684941 B\n0.000000 0.281819 0.815059 B\n0.000000 0.718181 0.184941 B\n","nsites":24,"nelements":3,"elements":["Ho","Co","B"],"chemical_system":"B-Co-Ho","density":7.839472314253248,"density_atomic":0.10604809627360186,"volume":226.31240770301528,"volume_molar":5.678688228841942,"formula_full":"Ho4 Co4 B16","formula_reduced":"HoCoB4","formula_anonymous":"ABC4","energy":-168.14148218,"energy_per_atom":-7.0058950908333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.14148218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005965,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.690000Z","spacegroup":55}]}