{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10236","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=10234","results":[{"id":"mp-581324","created_at":"2022-09-04T14:40:37.724729Z","structure_string":"Ba8 V4 I20 O68\n1.0\n33.697745 0.000000 0.000000\n0.000000 7.261602 0.000000\n0.000000 3.392862 6.896467\nBa V I O\n8 4 20 68\ndirect\n0.997845 0.828058 0.815295 Ba\n0.813029 0.519099 0.377959 Ba\n0.186971 0.480901 0.622041 Ba\n0.002155 0.171942 0.184705 Ba\n0.313029 0.980901 0.622041 Ba\n0.686971 0.019099 0.377959 Ba\n0.502155 0.328058 0.815295 Ba\n0.497845 0.671942 0.184705 Ba\n0.903528 0.979739 0.027345 V\n0.596472 0.479739 0.027345 V\n0.403528 0.520261 0.972655 V\n0.096472 0.020261 0.972655 V\n0.047853 0.443526 0.601876 I\n0.114111 0.507902 0.125436 I\n0.784870 0.866069 0.723286 I\n0.385889 0.007902 0.125436 I\n0.800735 0.101410 0.098687 I\n0.199265 0.898590 0.901313 I\n0.300735 0.398590 0.901313 I\n0.715130 0.366069 0.723286 I\n0.952147 0.556474 0.398124 I\n0.396182 0.418282 0.560807 I\n0.885889 0.492098 0.874564 I\n0.103818 0.918282 0.560807 I\n0.699265 0.601410 0.098687 I\n0.215130 0.133931 0.276714 I\n0.452147 0.943526 0.601876 I\n0.603818 0.581718 0.439193 I\n0.896182 0.081718 0.439193 I\n0.547853 0.056474 0.398124 I\n0.284870 0.633931 0.276714 I\n0.614111 0.992098 0.874564 I\n0.531938 0.036224 0.179650 O\n0.386190 0.161632 0.585292 O\n0.053637 0.951227 0.466295 O\n0.613810 0.838368 0.414708 O\n0.388616 0.657383 0.088622 O\n0.911681 0.754338 0.293565 O\n0.913102 0.165963 0.185951 O\n0.413102 0.334037 0.814049 O\n0.064857 0.443487 0.233994 O\n0.451988 0.473516 0.029658 O\n0.730054 0.455678 0.311472 O\n0.435143 0.943487 0.233994 O\n0.564857 0.056513 0.766006 O\n0.844696 0.931861 0.192744 O\n0.769946 0.955678 0.311472 O\n0.234649 0.526213 0.321909 O\n0.155304 0.068139 0.807256 O\n0.734649 0.973787 0.678091 O\n0.446363 0.451227 0.466295 O\n0.646215 0.137452 0.668859 O\n0.508595 0.225607 0.410737 O\n0.548012 0.526484 0.970342 O\n0.621726 0.740988 0.854962 O\n0.935143 0.556513 0.766006 O\n0.946363 0.048773 0.533705 O\n0.968062 0.536224 0.179650 O\n0.121726 0.759012 0.145038 O\n0.086898 0.834037 0.814049 O\n0.185039 0.902156 0.369835 O\n0.344696 0.568139 0.807256 O\n0.284873 0.710850 0.013082 O\n0.113810 0.661632 0.585292 O\n0.269946 0.544322 0.688528 O\n0.818490 0.317350 0.139374 O\n0.588319 0.254338 0.293565 O\n0.088319 0.245662 0.706435 O\n0.181510 0.682650 0.860626 O\n0.031938 0.463776 0.820350 O\n0.655304 0.431861 0.192744 O\n0.008595 0.274393 0.589263 O\n0.111384 0.157383 0.088622 O\n0.230054 0.044322 0.688528 O\n0.048012 0.973516 0.029658 O\n0.715127 0.289150 0.986918 O\n0.991405 0.725607 0.410737 O\n0.491405 0.774393 0.589263 O\n0.215127 0.210850 0.013082 O\n0.553637 0.548773 0.533705 O\n0.878274 0.240988 0.854962 O\n0.681510 0.817350 0.139374 O\n0.951988 0.026484 0.970342 O\n0.853785 0.637452 0.668859 O\n0.378274 0.259012 0.145038 O\n0.784873 0.789150 0.986918 O\n0.814961 0.097844 0.630165 O\n0.265351 0.026213 0.321909 O\n0.411681 0.745662 0.706435 O\n0.468062 0.963776 0.820350 O\n0.318490 0.182650 0.860626 O\n0.685039 0.597844 0.630165 O\n0.586898 0.665963 0.185951 O\n0.886190 0.338368 0.414708 O\n0.765351 0.473787 0.678091 O\n0.314961 0.402156 0.369835 O\n0.888616 0.842617 0.911378 O\n0.353785 0.862548 0.331141 O\n0.146215 0.362548 0.331141 O\n0.611384 0.342617 0.911378 O\n","nsites":100,"nelements":4,"elements":["Ba","V","I","O"],"chemical_system":"Ba-I-O-V","density":4.84950932583319,"density_atomic":0.059257053933543476,"volume":1687.5628024327627,"volume_molar":10.162740737590168,"formula_full":"Ba8 V4 I20 O68","formula_reduced":"Ba2VI5O17","formula_anonymous":"AB2C5D17","energy":-572.09812659,"energy_per_atom":-5.7209812659,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-518.58212659,"band_gap":2.6429,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0199918,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.692000Z","spacegroup":14},{"id":"mp-771954","created_at":"2022-09-04T14:44:16.490078Z","structure_string":"Na8 V4 C4 S4 O28\n1.0\n0.146788 6.760995 5.337950\n0.146617 -6.760168 5.336894\n9.186179 0.000112 0.022064\nNa V C S O\n8 4 4 4 28\ndirect\n0.614322 0.618110 0.208755 Na\n0.114315 0.118097 0.208742 Na\n0.368157 0.864396 0.208775 Na\n0.868171 0.364400 0.208796 Na\n0.631840 0.135598 0.791220 Na\n0.131837 0.635605 0.791211 Na\n0.385672 0.381889 0.791238 Na\n0.885683 0.881902 0.791256 Na\n0.265366 0.515383 0.357255 V\n0.734633 0.484616 0.642745 V\n0.765365 0.015382 0.357268 V\n0.234639 0.984620 0.642728 V\n0.737043 0.987038 0.082462 C\n0.237052 0.487035 0.082449 C\n0.262953 0.012961 0.917534 C\n0.762947 0.512963 0.917556 C\n0.486148 0.236099 0.419009 S\n0.986134 0.736075 0.419016 S\n0.513855 0.763902 0.580991 S\n0.013865 0.263924 0.580987 S\n0.277365 0.027376 0.053644 O\n0.777343 0.527362 0.053672 O\n0.722640 0.972629 0.946350 O\n0.222658 0.472637 0.946334 O\n0.847727 0.097705 0.141949 O\n0.347733 0.597710 0.141931 O\n0.152270 0.902295 0.858049 O\n0.652263 0.402290 0.858075 O\n0.641675 0.891688 0.177548 O\n0.141681 0.391686 0.177533 O\n0.358323 0.108311 0.822446 O\n0.858318 0.608313 0.822472 O\n0.460676 0.710690 0.431803 O\n0.960673 0.210709 0.431807 O\n0.539323 0.289308 0.568199 O\n0.039330 0.789295 0.568193 O\n0.345707 0.095498 0.433448 O\n0.845692 0.595476 0.433483 O\n0.654298 0.904502 0.566550 O\n0.154308 0.404523 0.566520 O\n0.440992 0.368580 0.336743 O\n0.940976 0.868561 0.336761 O\n0.618680 0.191113 0.336697 O\n0.118662 0.691093 0.336690 O\n0.381324 0.808891 0.663301 O\n0.881336 0.308904 0.663312 O\n0.559009 0.631421 0.663258 O\n0.059024 0.131436 0.663239 O\n","nsites":48,"nelements":5,"elements":["Na","V","C","S","O"],"chemical_system":"C-Na-O-S-V","density":2.534924229946781,"density_atomic":0.07240847791404341,"volume":662.9058002984281,"volume_molar":8.316900083369967,"formula_full":"Na8 V4 C4 S4 O28","formula_reduced":"Na2VCSO7","formula_anonymous":"ABCD2E7","energy":-339.86511459,"energy_per_atom":-7.080523220625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.82911459,"band_gap":2.643,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0001698,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.870000Z","spacegroup":11},{"id":"mp-1227145","created_at":"2022-09-04T14:42:51.628878Z","structure_string":"Ca2 Pr2 Cr2 O8\n1.0\n2.725106 -6.005225 0.000000\n2.725106 6.005225 0.000000\n0.000000 0.000000 5.610689\nCa Pr Cr O\n2 2 2 8\ndirect\n0.896371 0.103629 0.518611 Ca\n0.103629 0.896371 0.018611 Ca\n0.612000 0.388000 0.483295 Pr\n0.388000 0.612000 0.983295 Pr\n0.249045 0.750955 0.498750 Cr\n0.750955 0.249045 0.998750 Cr\n0.081591 0.918409 0.442304 O\n0.421382 0.578618 0.553830 O\n0.918409 0.081591 0.942304 O\n0.578618 0.421382 0.053830 O\n0.521354 0.984324 0.251605 O\n0.478646 0.015676 0.751605 O\n0.984324 0.521354 0.751605 O\n0.015676 0.478646 0.251605 O\n","nsites":14,"nelements":4,"elements":["Ca","Pr","Cr","O"],"chemical_system":"Ca-Cr-O-Pr","density":5.370892618512727,"density_atomic":0.07623759011087566,"volume":183.63644469400447,"volume_molar":7.899175132951786,"formula_full":"Ca2 Pr2 Cr2 O8","formula_reduced":"CaPrCrO4","formula_anonymous":"ABCD4","energy":-116.28678447999998,"energy_per_atom":-8.30619889142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.79278448,"band_gap":2.643,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0004304,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.340000Z","spacegroup":36},{"id":"mp-8255","created_at":"2022-09-04T14:45:35.961546Z","structure_string":"Ca1 Pt1 F6\n1.0\n5.203135 -2.715519 0.000000\n5.203135 2.715519 0.000000\n3.785904 0.000000 4.484818\nCa Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pt\n0.093648 0.363242 0.775542 F\n0.775542 0.093648 0.363242 F\n0.636758 0.224458 0.906352 F\n0.224458 0.906352 0.636758 F\n0.906352 0.636758 0.224458 F\n0.363242 0.775542 0.093648 F\n","nsites":8,"nelements":3,"elements":["Ca","Pt","F"],"chemical_system":"Ca-F-Pt","density":4.574792430185248,"density_atomic":0.06312439486457665,"volume":126.73388817687248,"volume_molar":9.540116420790325,"formula_full":"Ca1 Pt1 F6","formula_reduced":"CaPtF6","formula_anonymous":"ABC6","energy":-40.98738364,"energy_per_atom":-5.123422955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.21538364,"band_gap":2.643,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.55e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.791000Z","spacegroup":148},{"id":"mp-1232393","created_at":"2022-09-04T14:46:27.605560Z","structure_string":"Ho8 Mg4 S16\n1.0\n7.175507 -0.028337 0.651369\n-0.090406 8.235061 1.295967\n0.095052 0.125244 12.876761\nHo Mg S\n8 4 16\ndirect\n0.135503 0.700425 0.694179 Ho\n0.864497 0.299575 0.305821 Ho\n0.241198 0.872890 0.000662 Ho\n0.758802 0.127110 0.999338 Ho\n0.367892 0.554916 0.304150 Ho\n0.632108 0.445084 0.695850 Ho\n0.366543 0.042937 0.307567 Ho\n0.633457 0.957063 0.692433 Ho\n0.133707 0.200510 0.699554 Mg\n0.866293 0.799490 0.300446 Mg\n0.249382 0.377624 0.996004 Mg\n0.750618 0.622376 0.003996 Mg\n0.094795 0.645972 0.896536 S\n0.905205 0.354028 0.103464 S\n0.106652 0.154987 0.892085 S\n0.893348 0.845013 0.107915 S\n0.170941 0.781239 0.372355 S\n0.829059 0.218761 0.627645 S\n0.191034 0.281838 0.375097 S\n0.808966 0.718162 0.624903 S\n0.304245 0.978400 0.628932 S\n0.695755 0.021600 0.371068 S\n0.305787 0.457267 0.628792 S\n0.694213 0.542733 0.371208 S\n0.395093 0.102375 0.104668 S\n0.604907 0.897625 0.895332 S\n0.403393 0.593635 0.102165 S\n0.596607 0.406365 0.897835 S\n","nsites":28,"nelements":3,"elements":["Ho","Mg","S"],"chemical_system":"Ho-Mg-S","density":4.220805414767339,"density_atomic":0.03688195145672228,"volume":759.1789179825674,"volume_molar":16.3281510932697,"formula_full":"Ho8 Mg4 S16","formula_reduced":"Ho2MgS4","formula_anonymous":"AB2C4","energy":-164.68435498,"energy_per_atom":-5.881584106428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.63635498,"band_gap":2.6431,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016529,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.156000Z","spacegroup":2},{"id":"mp-554429","created_at":"2022-09-04T14:45:23.827283Z","structure_string":"Mn12 Si4 O16 F8\n1.0\n4.926294 0.000000 0.000000\n0.000000 9.323303 0.000000\n0.000000 0.000000 10.960641\nMn Si O F\n12 4 16 8\ndirect\n0.993489 0.750000 0.911877 Mn\n0.985505 0.429942 0.362466 Mn\n0.485505 0.929942 0.137534 Mn\n0.985505 0.070058 0.362466 Mn\n0.014495 0.929942 0.637534 Mn\n0.006511 0.250000 0.088123 Mn\n0.514495 0.429942 0.862466 Mn\n0.485505 0.570058 0.137534 Mn\n0.014495 0.570058 0.637534 Mn\n0.506511 0.750000 0.411877 Mn\n0.514495 0.070058 0.862466 Mn\n0.493489 0.250000 0.588123 Mn\n0.421416 0.250000 0.278804 Si\n0.578584 0.750000 0.721196 Si\n0.078584 0.250000 0.778804 Si\n0.921416 0.750000 0.221196 Si\n0.246601 0.750000 0.722992 O\n0.753399 0.250000 0.277008 O\n0.215371 0.250000 0.917209 O\n0.220967 0.110132 0.709415 O\n0.279033 0.389868 0.209415 O\n0.284629 0.250000 0.417209 O\n0.220967 0.389868 0.709415 O\n0.779033 0.889868 0.290585 O\n0.720967 0.889868 0.790585 O\n0.715371 0.750000 0.582791 O\n0.720967 0.610132 0.790585 O\n0.746601 0.250000 0.777008 O\n0.253399 0.750000 0.222992 O\n0.279033 0.110132 0.209415 O\n0.784629 0.750000 0.082791 O\n0.779033 0.610132 0.290585 O\n0.768428 0.417171 0.532206 F\n0.268428 0.582829 0.967794 F\n0.268428 0.917171 0.967794 F\n0.731572 0.417171 0.032206 F\n0.768428 0.082829 0.532206 F\n0.231572 0.582829 0.467794 F\n0.231572 0.917171 0.467794 F\n0.731572 0.082829 0.032206 F\n","nsites":40,"nelements":4,"elements":["Mn","Si","O","F"],"chemical_system":"F-Mn-O-Si","density":3.8908904866727205,"density_atomic":0.07945731995582278,"volume":503.414915356313,"volume_molar":7.579088702398006,"formula_full":"Mn12 Si4 O16 F8","formula_reduced":"Mn3Si(O2F)2","formula_anonymous":"AB2C3D4","energy":-334.9711818100001,"energy_per_atom":-8.374279545250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.26718181,"band_gap":2.6431,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0000002,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.544000Z","spacegroup":62},{"id":"mp-757092","created_at":"2022-09-04T14:45:29.927452Z","structure_string":"Nd1 Al11 O18\n1.0\n5.608419 -0.082208 -0.006644\n-2.880587 1.903846 11.150978\n2.866166 -5.009158 -0.083442\nNd Al O\n1 11 18\ndirect\n0.500019 0.499994 0.999983 Nd\n0.086365 0.782176 0.093474 Al\n0.000000 0.999997 0.000004 Al\n0.084915 0.774988 0.586708 Al\n0.586471 0.792689 0.096775 Al\n0.350820 0.056608 0.353950 Al\n0.462598 0.373160 0.457901 Al\n0.537395 0.626843 0.542097 Al\n0.649179 0.943388 0.646050 Al\n0.413527 0.207309 0.903225 Al\n0.915083 0.225011 0.413293 Al\n0.913634 0.217822 0.906528 Al\n0.292590 0.891921 0.290843 O\n0.109818 0.294385 0.100587 O\n0.275219 0.892028 0.807667 O\n0.197340 0.103364 0.185940 O\n0.110549 0.287000 0.604080 O\n0.409796 0.707975 0.379558 O\n0.677607 0.503534 0.555081 O\n0.192522 0.097416 0.726017 O\n0.387892 0.694957 0.908891 O\n0.612106 0.305043 0.091109 O\n0.807479 0.902586 0.273987 O\n0.322388 0.496459 0.444897 O\n0.590202 0.292027 0.620449 O\n0.889453 0.713004 0.395924 O\n0.802659 0.896637 0.814062 O\n0.724781 0.107974 0.192336 O\n0.707409 0.108081 0.709157 O\n0.890182 0.705615 0.899417 O\n","nsites":30,"nelements":3,"elements":["Nd","Al","O"],"chemical_system":"Al-Nd-O","density":3.9087359775744175,"density_atomic":0.09686440398309391,"volume":309.7112950308971,"volume_molar":6.217083378793169,"formula_full":"Nd1 Al11 O18","formula_reduced":"NdAl11O18","formula_anonymous":"AB11C18","energy":-236.28017747,"energy_per_atom":-7.876005915666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.91417747,"band_gap":2.6431000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003493,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.221000Z","spacegroup":2},{"id":"mp-674341","created_at":"2022-09-04T14:43:54.198840Z","structure_string":"Sc6 Ta2 O14\n1.0\n3.579826 -6.872558 0.000000\n3.579826 6.872558 0.000000\n0.000000 0.000000 5.102931\nSc Ta O\n6 2 14\ndirect\n0.374255 0.625745 0.527630 Sc\n0.500000 0.000000 0.000000 Sc\n0.874255 0.125745 0.472370 Sc\n0.625745 0.374255 0.472370 Sc\n0.000000 0.500000 0.000000 Sc\n0.125745 0.874255 0.527630 Sc\n0.750000 0.750000 0.000000 Ta\n0.250000 0.250000 0.000000 Ta\n0.521538 0.478462 0.219747 O\n0.668962 0.923652 0.757860 O\n0.978462 0.021538 0.219747 O\n0.021538 0.978462 0.780253 O\n0.750000 0.250000 0.235973 O\n0.076348 0.331038 0.757860 O\n0.168962 0.423652 0.242140 O\n0.831038 0.576348 0.757860 O\n0.478462 0.521538 0.780253 O\n0.250000 0.750000 0.764027 O\n0.576348 0.831038 0.242140 O\n0.423652 0.168962 0.757860 O\n0.331038 0.076348 0.242140 O\n0.923652 0.668962 0.242140 O\n","nsites":22,"nelements":3,"elements":["Sc","Ta","O"],"chemical_system":"O-Sc-Ta","density":5.658501550073514,"density_atomic":0.08761786319581667,"volume":251.09035072942058,"volume_molar":6.873188343501542,"formula_full":"Sc6 Ta2 O14","formula_reduced":"Sc3TaO7","formula_anonymous":"AB3C7","energy":-210.45127164,"energy_per_atom":-9.565966892727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.83327164,"band_gap":2.6432,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004434,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.510000Z","spacegroup":67},{"id":"mp-1192037","created_at":"2022-09-04T14:41:16.953227Z","structure_string":"La2 P6 O14\n1.0\n6.935167 0.000000 0.000000\n-1.143784 8.218889 0.000000\n-0.877519 -3.999148 8.145088\nLa P O\n2 6 14\ndirect\n0.619392 0.836429 0.774301 La\n0.380608 0.163571 0.225699 La\n0.172865 0.868041 0.808655 P\n0.827135 0.131959 0.191345 P\n0.956151 0.787400 0.176761 P\n0.043849 0.212600 0.823239 P\n0.484135 0.340982 0.695801 P\n0.515865 0.659018 0.304199 P\n0.958176 0.791049 0.796361 O\n0.041824 0.208951 0.203639 O\n0.314711 0.883384 0.956704 O\n0.685289 0.116616 0.043296 O\n0.812600 0.905949 0.140178 O\n0.187400 0.094051 0.859822 O\n0.161075 0.897002 0.251718 O\n0.838925 0.102998 0.748282 O\n0.393771 0.267127 0.515215 O\n0.606229 0.732873 0.484785 O\n0.566202 0.544849 0.775764 O\n0.433798 0.455151 0.224236 O\n0.269524 0.800629 0.657216 O\n0.730476 0.199371 0.342784 O\n","nsites":22,"nelements":3,"elements":["La","P","O"],"chemical_system":"La-O-P","density":2.4595045953428007,"density_atomic":0.04738674319538737,"volume":464.26486642663986,"volume_molar":12.708492616108288,"formula_full":"La2 P6 O14","formula_reduced":"LaP3O7","formula_anonymous":"AB3C7","energy":-170.30015669,"energy_per_atom":-7.740916213181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.68215669,"band_gap":2.6432,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.811000Z","spacegroup":2},{"id":"mp-1523132","created_at":"2022-09-04T14:44:58.692743Z","structure_string":"Ba1 Y1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.230557 -4.230557\n4.230557 -0.000000 -4.230557\n4.230557 -4.230557 -0.000000\nBa Y Sn Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Sn\n-0.000000 0.000000 -0.000000 Sb\n0.763359 0.236641 0.236641 O\n0.236641 0.763359 0.763359 O\n0.763359 0.236641 0.763359 O\n0.236641 0.763359 0.236641 O\n0.763359 0.763359 0.236641 O\n0.236641 0.236641 0.763359 O\n","nsites":10,"nelements":5,"elements":["Ba","Y","Sn","Sb","O"],"chemical_system":"Ba-O-Sb-Sn-Y","density":6.1702503530790205,"density_atomic":0.0660354819444359,"volume":151.43373994626526,"volume_molar":9.119552977696442,"formula_full":"Ba1 Y1 Sn1 Sb1 O6","formula_reduced":"BaYSnSbO6","formula_anonymous":"ABCDE6","energy":-72.24181702,"energy_per_atom":-7.224181702,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.11981702,"band_gap":2.6432,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.096000Z","spacegroup":216},{"id":"mp-1028850","created_at":"2022-09-04T14:42:52.879499Z","structure_string":"Te2 Mo1 W3 Se4 S2\n1.0\n1.671471 -2.895073 0.000000\n1.671471 2.895073 0.000000\n0.000000 0.000000 38.688311\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.000000 0.000000 0.706813 Te\n0.000000 0.000000 0.608223 Te\n0.000000 0.000000 0.469666 Mo\n0.000000 0.000000 0.093948 W\n0.333333 0.666667 0.281805 W\n0.333333 0.666667 0.657550 W\n0.333333 0.666667 0.050676 Se\n0.333333 0.666667 0.426573 Se\n0.333333 0.666667 0.137209 Se\n0.333333 0.666667 0.512717 Se\n0.000000 0.000000 0.321144 S\n0.000000 0.000000 0.242424 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.688298259412185,"density_atomic":0.03204889904170139,"volume":374.4278386719568,"volume_molar":18.79047624120913,"formula_full":"Te2 Mo1 W3 Se4 S2","formula_reduced":"Te2MoW3(Se2S)2","formula_anonymous":"AB2C2D3E4","energy":-87.03572511,"energy_per_atom":-7.2529770925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.14172511,"band_gap":2.6432,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032969,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.571000Z","spacegroup":156},{"id":"mp-1216291","created_at":"2022-09-04T14:43:36.085383Z","structure_string":"Y3 Ho1 Fe4 Ge8 O28\n1.0\n-6.755515 0.000000 0.000000\n-0.000482 -8.651851 0.000000\n-1.797628 -0.000709 9.654467\nY Ho Fe Ge O\n3 1 4 8 28\ndirect\n0.755257 0.958927 0.252825 Y\n0.244847 0.458814 0.747146 Y\n0.244797 0.041519 0.747271 Y\n0.755094 0.542726 0.252763 Ho\n0.255819 0.055925 0.248055 Fe\n0.744194 0.555687 0.751975 Fe\n0.744159 0.944257 0.751950 Fe\n0.255683 0.444486 0.248072 Fe\n0.545850 0.250034 0.966916 Ge\n0.454219 0.749839 0.033255 Ge\n0.045654 0.749827 0.469806 Ge\n0.954282 0.250066 0.530019 Ge\n0.481563 0.250408 0.447004 Ge\n0.519273 0.749769 0.552570 Ge\n0.020470 0.250478 0.050350 Ge\n0.979010 0.749745 0.950185 Ge\n0.032344 0.426323 0.140303 O\n0.965455 0.925861 0.861116 O\n0.965380 0.573888 0.860914 O\n0.034459 0.074102 0.139358 O\n0.045062 0.914570 0.361004 O\n0.955036 0.414543 0.638857 O\n0.955271 0.085610 0.639008 O\n0.043172 0.585651 0.360557 O\n0.353684 0.250200 0.618392 O\n0.647608 0.749048 0.380827 O\n0.473065 0.072416 0.359966 O\n0.527152 0.572235 0.639769 O\n0.526912 0.927559 0.639591 O\n0.475174 0.427806 0.358938 O\n0.537336 0.415484 0.861146 O\n0.462717 0.915457 0.139056 O\n0.463873 0.584605 0.139372 O\n0.537103 0.084638 0.860977 O\n0.352593 0.250470 0.119129 O\n0.646363 0.750040 0.880709 O\n0.750893 0.249048 0.059335 O\n0.248475 0.749469 0.941401 O\n0.160318 0.250574 0.384936 O\n0.840373 0.750081 0.615074 O\n0.156688 0.250306 0.881260 O\n0.842568 0.749004 0.119621 O\n0.756896 0.249066 0.430425 O\n0.243857 0.749440 0.568797 O\n","nsites":44,"nelements":5,"elements":["Y","Ho","Fe","Ge","O"],"chemical_system":"Fe-Ge-Ho-O-Y","density":4.955975936187165,"density_atomic":0.07797526868577152,"volume":564.2814797767907,"volume_molar":7.723142044265742,"formula_full":"Y3 Ho1 Fe4 Ge8 O28","formula_reduced":"Y3HoFe4(Ge2O7)4","formula_anonymous":"AB3C4D8E28","energy":-342.25209381,"energy_per_atom":-7.7784566775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.99209381,"band_gap":2.6432,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0002678,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.095000Z","spacegroup":1}]}