{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=22","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=20","results":[{"id":"mp-1097570","created_at":"2022-09-04T14:42:12.747307Z","structure_string":"Be1 Mo1 Ru2\n1.0\n-4.430381 5.136813 7.261147\n4.430381 -5.136813 7.261147\n4.430381 5.136813 -7.261147\nBe Mo Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Mo\n0.000000 0.262647 0.262647 Ru\n0.000000 0.737353 0.737353 Ru\n","nsites":4,"nelements":3,"elements":["Be","Mo","Ru"],"chemical_system":"Be-Mo-Ru","density":0.771467802720322,"density_atomic":0.006051456824641937,"volume":660.9978581870951,"volume_molar":99.51555360153012,"formula_full":"Be1 Mo1 Ru2","formula_reduced":"BeMoRu2","formula_anonymous":"ABC2","energy":-19.17961614,"energy_per_atom":-4.794904035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.17961614,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.009327,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.601000Z","spacegroup":71},{"id":"mp-1191743","created_at":"2022-09-04T14:41:13.459587Z","structure_string":"Tb6 B14 W2\n1.0\n1.743180 -8.042223 0.000000\n1.743180 8.042223 0.000000\n0.000000 0.000000 9.525752\nTb B W\n6 14 2\ndirect\n0.893177 0.106823 0.439605 Tb\n0.106823 0.893177 0.560395 Tb\n0.893177 0.106823 0.060395 Tb\n0.106823 0.893177 0.939605 Tb\n0.243386 0.756614 0.250000 Tb\n0.756614 0.243386 0.750000 Tb\n0.727268 0.272732 0.467273 B\n0.272732 0.727268 0.532727 B\n0.727268 0.272732 0.032727 B\n0.272732 0.727268 0.967273 B\n0.634317 0.365683 0.147305 B\n0.365683 0.634317 0.852695 B\n0.634317 0.365683 0.352695 B\n0.365683 0.634317 0.647305 B\n0.519875 0.480125 0.092285 B\n0.480125 0.519875 0.907715 B\n0.519875 0.480125 0.407715 B\n0.480125 0.519875 0.592285 B\n0.456823 0.543177 0.250000 B\n0.543177 0.456823 0.750000 B\n0.053250 0.946750 0.250000 W\n0.946750 0.053250 0.750000 W\n","nsites":22,"nelements":3,"elements":["Tb","B","W"],"chemical_system":"B-Tb-W","density":9.15550242842897,"density_atomic":0.08237113851438946,"volume":267.0838402477199,"volume_molar":7.310984003150556,"formula_full":"Tb6 B14 W2","formula_reduced":"Tb3B7W","formula_anonymous":"AB3C7","energy":-159.63855858,"energy_per_atom":-7.256298117272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.63855858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.890000Z","spacegroup":63},{"id":"mp-2279","created_at":"2022-09-04T14:41:13.313428Z","structure_string":"Pu1 Sn3\n1.0\n4.587528 0.000000 0.000000\n0.000000 4.587528 0.000000\n0.000000 0.000000 4.587528\nPu Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n","nsites":4,"nelements":2,"elements":["Pu","Sn"],"chemical_system":"Pu-Sn","density":10.321866811369965,"density_atomic":0.04143084656026086,"volume":96.5464221007898,"volume_molar":14.535403594133276,"formula_full":"Pu1 Sn3","formula_reduced":"PuSn3","formula_anonymous":"AB3","energy":-25.72940066,"energy_per_atom":-6.432350165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.72940066,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5687411,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.650000Z","spacegroup":221},{"id":"mp-1183802","created_at":"2022-09-04T14:41:13.833680Z","structure_string":"Dy2 Mg4\n1.0\n0.000000 4.263774 4.263774\n4.263774 0.000000 4.263774\n4.263774 4.263774 0.000000\nDy Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Dy\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n","nsites":6,"nelements":2,"elements":["Dy","Mg"],"chemical_system":"Dy-Mg","density":4.5224666429722475,"density_atomic":0.03870247366178108,"volume":155.02885041492928,"volume_molar":15.56009265099481,"formula_full":"Dy2 Mg4","formula_reduced":"DyMg2","formula_anonymous":"AB2","energy":-15.993844019999996,"energy_per_atom":-2.6656406699999993,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.993844019999996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1158699,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.873000Z","spacegroup":227},{"id":"mp-973910","created_at":"2022-09-04T14:41:13.862007Z","structure_string":"Pa1 Al1 Cu2\n1.0\n0.000000 3.264548 3.264548\n3.264548 0.000000 3.264548\n3.264548 3.264548 0.000000\nPa Al Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n","nsites":4,"nelements":3,"elements":["Pa","Al","Cu"],"chemical_system":"Al-Cu-Pa","density":9.190392643843941,"density_atomic":0.05748583180460609,"volume":69.58236272193068,"volume_molar":10.475869568121084,"formula_full":"Pa1 Al1 Cu2","formula_reduced":"PaAlCu2","formula_anonymous":"ABC2","energy":-22.05059508,"energy_per_atom":-5.51264877,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.05059508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.83e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.829000Z","spacegroup":225},{"id":"mp-3930","created_at":"2022-09-04T14:41:13.468787Z","structure_string":"Sc4 Mn2 S8\n1.0\n0.000000 5.306475 5.306475\n5.306475 0.000000 5.306475\n5.306475 5.306475 0.000000\nSc Mn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Sc\n0.625000 0.125000 0.125000 Sc\n0.125000 0.625000 0.125000 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Mn\n0.369011 0.369011 0.369011 S\n0.880989 0.357032 0.880989 S\n0.369011 0.892968 0.369011 S\n0.880989 0.880989 0.357032 S\n0.357032 0.880989 0.880989 S\n0.369011 0.369011 0.892968 S\n0.892968 0.369011 0.369011 S\n0.880989 0.880989 0.880989 S\n","nsites":14,"nelements":3,"elements":["Sc","Mn","S"],"chemical_system":"Mn-S-Sc","density":3.035065889997954,"density_atomic":0.046846772161979584,"volume":298.8466302778118,"volume_molar":12.854974808461861,"formula_full":"Sc4 Mn2 S8","formula_reduced":"Sc2MnS4","formula_anonymous":"AB2C4","energy":-102.40883776,"energy_per_atom":-7.3149169828571425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.38483776,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999477,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.660000Z","spacegroup":227},{"id":"mp-865377","created_at":"2022-09-04T14:42:11.986117Z","structure_string":"Th6 Au8\n1.0\n4.529172 -6.958902 0.000000\n4.529172 6.958902 0.000000\n-6.162921 0.000000 5.564003\nTh Au\n6 8\ndirect\n0.026163 0.404094 0.283399 Th\n0.404094 0.283399 0.026163 Th\n0.716601 0.973837 0.595906 Th\n0.283399 0.026163 0.404094 Th\n0.595906 0.716601 0.973837 Th\n0.973837 0.595906 0.716601 Th\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.438212 0.932533 0.771092 Au\n0.932533 0.771092 0.438212 Au\n0.228908 0.561788 0.067467 Au\n0.771092 0.438212 0.932533 Au\n0.067467 0.228908 0.561788 Au\n0.561788 0.067467 0.228908 Au\n","nsites":14,"nelements":2,"elements":["Th","Au"],"chemical_system":"Au-Th","density":14.051749176008524,"density_atomic":0.03991638016826183,"volume":350.73320629237895,"volume_molar":15.086890982134456,"formula_full":"Th6 Au8","formula_reduced":"Th3Au4","formula_anonymous":"A3B4","energy":-80.0220644,"energy_per_atom":-5.715861742857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.0220644,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002672,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.921000Z","spacegroup":148},{"id":"mp-998226","created_at":"2022-09-04T14:41:13.189055Z","structure_string":"Rb1 Ag1 Br3\n1.0\n3.851573 3.851400 0.000000\n-3.851573 3.851400 0.000000\n0.000000 0.017070 5.447143\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.999891 0.002929 Rb\n0.495991 0.495991 0.516129 Ag\n0.998981 0.492376 0.514237 Br\n0.504534 0.504534 0.015779 Br\n0.492376 0.998981 0.514237 Br\n","nsites":5,"nelements":3,"elements":["Rb","Ag","Br"],"chemical_system":"Ag-Br-Rb","density":4.449688432152706,"density_atomic":0.030939584163681224,"volume":161.60527476866693,"volume_molar":19.464194244307777,"formula_full":"Rb1 Ag1 Br3","formula_reduced":"RbAgBr3","formula_anonymous":"ABC3","energy":-14.77914339,"energy_per_atom":-2.955828678,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.17714339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072009,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.866000Z","spacegroup":99},{"id":"mp-570254","created_at":"2022-09-04T14:42:12.007369Z","structure_string":"Th8 B8 C8\n1.0\n3.783768 0.000000 0.000000\n0.000000 3.783768 0.000000\n0.000000 0.000000 25.299934\nTh B C\n8 8 8\ndirect\n0.303642 0.202290 0.570466 Th\n0.797710 0.303642 0.820466 Th\n0.696358 0.202290 0.429534 Th\n0.202290 0.303642 0.179534 Th\n0.696358 0.797710 0.070466 Th\n0.303642 0.797710 0.929534 Th\n0.202290 0.696358 0.320466 Th\n0.797710 0.696358 0.679534 Th\n0.157521 0.293608 0.022629 B\n0.293608 0.157521 0.727371 B\n0.706392 0.157521 0.272629 B\n0.842479 0.293608 0.977371 B\n0.157521 0.706392 0.477371 B\n0.293608 0.842479 0.772629 B\n0.706392 0.842479 0.227371 B\n0.842479 0.706392 0.522629 B\n0.304985 0.203107 0.668424 C\n0.796893 0.304985 0.918424 C\n0.203107 0.304985 0.081576 C\n0.304985 0.796893 0.831576 C\n0.203107 0.695015 0.418424 C\n0.796893 0.695015 0.581576 C\n0.695015 0.796893 0.168424 C\n0.695015 0.203107 0.331576 C\n","nsites":24,"nelements":3,"elements":["Th","B","C"],"chemical_system":"B-C-Th","density":9.346994046406037,"density_atomic":0.0662586912698082,"volume":362.2166321135288,"volume_molar":9.088831434170029,"formula_full":"Th8 B8 C8","formula_reduced":"ThBC","formula_anonymous":"ABC","energy":-197.89904299,"energy_per_atom":-8.245793457916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.89904299,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013212,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.390000Z","spacegroup":91},{"id":"mp-1191147","created_at":"2022-09-04T14:41:13.905650Z","structure_string":"Sm2 Fe12 P7\n1.0\n4.512454 -7.815800 0.000000\n4.512454 7.815800 0.000000\n0.000000 0.000000 3.659076\nSm Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.500000 Sm\n0.426647 0.371923 0.000000 Fe\n0.628077 0.054725 0.000000 Fe\n0.945275 0.573353 0.000000 Fe\n0.152891 0.879281 0.000000 Fe\n0.120719 0.273610 0.000000 Fe\n0.726390 0.847109 0.000000 Fe\n0.382364 0.951563 0.500000 Fe\n0.048437 0.430801 0.500000 Fe\n0.569199 0.617636 0.500000 Fe\n0.217343 0.119489 0.500000 Fe\n0.880511 0.097855 0.500000 Fe\n0.902145 0.782657 0.500000 Fe\n0.406324 0.109908 0.000000 P\n0.890092 0.296416 0.000000 P\n0.703584 0.593676 0.000000 P\n0.108377 0.710889 0.500000 P\n0.289111 0.397487 0.500000 P\n0.602513 0.891623 0.500000 P\n0.000000 0.000000 0.000000 P\n","nsites":21,"nelements":3,"elements":["Sm","Fe","P"],"chemical_system":"Fe-P-Sm","density":7.641164496570737,"density_atomic":0.08136387871107315,"volume":258.09978989044953,"volume_molar":7.401491737365294,"formula_full":"Sm2 Fe12 P7","formula_reduced":"Sm2Fe12P7","formula_anonymous":"A2B7C12","energy":-163.07947372,"energy_per_atom":-7.765689224761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.07947372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5099358,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.667000Z","spacegroup":174},{"id":"mp-1199005","created_at":"2022-09-04T14:41:13.861417Z","structure_string":"Yb10 Ge20 Ir8\n1.0\n13.028389 0.000000 0.000000\n0.000000 13.028389 0.000000\n0.000000 0.000000 4.379136\nYb Ge Ir\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.671747 0.171747 0.500000 Yb\n0.328253 0.828253 0.500000 Yb\n0.171747 0.328253 0.500000 Yb\n0.828253 0.671747 0.500000 Yb\n0.886607 0.386607 0.500000 Yb\n0.113393 0.613393 0.500000 Yb\n0.386607 0.113393 0.500000 Yb\n0.613393 0.886607 0.500000 Yb\n0.567297 0.067297 0.000000 Ge\n0.432703 0.932703 0.000000 Ge\n0.067297 0.432703 0.000000 Ge\n0.932703 0.567297 0.000000 Ge\n0.662079 0.695923 0.000000 Ge\n0.337921 0.304077 0.000000 Ge\n0.162079 0.804077 0.000000 Ge\n0.837921 0.195923 0.000000 Ge\n0.304077 0.662079 0.000000 Ge\n0.695923 0.337921 0.000000 Ge\n0.195923 0.162079 0.000000 Ge\n0.804077 0.837921 0.000000 Ge\n0.654531 0.508115 0.500000 Ge\n0.345469 0.491885 0.500000 Ge\n0.154531 0.991885 0.500000 Ge\n0.845469 0.008115 0.500000 Ge\n0.491885 0.654531 0.500000 Ge\n0.508115 0.345469 0.500000 Ge\n0.008115 0.154531 0.500000 Ge\n0.991885 0.845469 0.500000 Ge\n0.746848 0.518866 0.000000 Ir\n0.253152 0.481134 0.000000 Ir\n0.246848 0.981134 0.000000 Ir\n0.753152 0.018866 0.000000 Ir\n0.481134 0.746848 0.000000 Ir\n0.518866 0.253152 0.000000 Ir\n0.018866 0.246848 0.000000 Ir\n0.981134 0.753152 0.000000 Ir\n","nsites":38,"nelements":3,"elements":["Yb","Ge","Ir"],"chemical_system":"Ge-Ir-Yb","density":10.546475375250754,"density_atomic":0.051122693712351334,"volume":743.3098148898819,"volume_molar":11.779779825148456,"formula_full":"Yb10 Ge20 Ir8","formula_reduced":"Yb5(Ge5Ir2)2","formula_anonymous":"A4B5C10","energy":-201.95499779,"energy_per_atom":-5.314605204999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.95499779,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056833,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.160000Z","spacegroup":127},{"id":"mp-1025272","created_at":"2022-09-04T14:41:14.608600Z","structure_string":"Zn1 P1 Pt5\n1.0\n3.928793 0.000000 0.000000\n0.000000 3.928793 0.000000\n0.000000 0.000000 6.995639\nZn P Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.291806 Pt\n0.000000 0.500000 0.708194 Pt\n0.500000 0.000000 0.291806 Pt\n0.500000 0.000000 0.708194 Pt\n0.000000 0.000000 0.000000 Pt\n","nsites":7,"nelements":3,"elements":["Zn","P","Pt"],"chemical_system":"P-Pt-Zn","density":16.482317830310176,"density_atomic":0.06482646724289855,"volume":107.98058721558391,"volume_molar":9.28963279371004,"formula_full":"Zn1 P1 Pt5","formula_reduced":"ZnPPt5","formula_anonymous":"ABC5","energy":-39.88482281,"energy_per_atom":-5.69783183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.88482281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0212906,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.064000Z","spacegroup":123}]}