{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=44","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=42","results":[{"id":"mp-1332857","created_at":"2022-09-04T14:41:54.576092Z","structure_string":"Mn16 Zn8 O32\n1.0\n3.029449 5.275987 0.000000\n-3.029449 5.275987 0.000000\n0.000000 3.393974 19.845024\nMn Zn O\n16 8 32\ndirect\n0.375121 0.874701 0.874811 Mn\n0.248987 0.248987 0.749844 Mn\n0.874701 0.375121 0.874811 Mn\n0.350161 0.350161 0.466218 Mn\n0.125792 0.626203 0.625098 Mn\n0.901366 0.901366 0.780473 Mn\n0.099440 0.099440 0.218714 Mn\n0.626203 0.125792 0.625098 Mn\n0.874883 0.375058 0.375239 Mn\n0.650258 0.650258 0.532319 Mn\n0.375058 0.874883 0.375239 Mn\n0.123525 0.624473 0.124882 Mn\n0.624473 0.123525 0.124882 Mn\n0.399901 0.399901 0.283499 Mn\n0.501093 0.501093 0.999584 Mn\n0.150946 0.150946 0.031218 Mn\n0.849693 0.849693 0.970129 Zn\n0.375378 0.375378 0.874908 Zn\n0.601105 0.601105 0.718217 Zn\n0.125686 0.125686 0.623355 Zn\n0.874836 0.874836 0.375174 Zn\n0.999190 0.999190 0.500024 Zn\n0.624645 0.624645 0.126721 Zn\n0.750680 0.750680 0.250282 Zn\n0.683070 0.225681 0.936582 O\n0.568967 0.568967 0.821434 O\n0.225681 0.683070 0.936582 O\n0.681493 0.681493 0.937036 O\n0.070621 0.070621 0.813071 O\n0.433778 0.977642 0.686530 O\n0.520720 0.067496 0.813173 O\n0.319257 0.319257 0.571044 O\n0.977642 0.433778 0.686530 O\n0.180626 0.180626 0.927015 O\n0.428819 0.428819 0.685015 O\n0.067496 0.520720 0.813173 O\n0.190488 0.721955 0.431690 O\n0.815771 0.815771 0.570963 O\n0.280562 0.807217 0.569352 O\n0.070404 0.070404 0.320982 O\n0.721955 0.190488 0.431690 O\n0.930041 0.930041 0.678322 O\n0.179946 0.179946 0.429905 O\n0.807217 0.280562 0.569352 O\n0.569855 0.569855 0.320429 O\n0.942786 0.468339 0.180714 O\n0.028268 0.559107 0.318650 O\n0.819548 0.819548 0.071212 O\n0.468339 0.942786 0.180714 O\n0.679426 0.679426 0.429733 O\n0.934340 0.934340 0.179734 O\n0.559107 0.028268 0.318650 O\n0.324071 0.324071 0.064685 O\n0.768691 0.317526 0.063301 O\n0.430307 0.430307 0.178699 O\n0.317526 0.768691 0.063301 O\n","nsites":56,"nelements":3,"elements":["Mn","Zn","O"],"chemical_system":"Mn-O-Zn","density":5.010734367702087,"density_atomic":0.0882752671268852,"volume":634.3792754487694,"volume_molar":6.822002307105896,"formula_full":"Mn16 Zn8 O32","formula_reduced":"Mn2ZnO4","formula_anonymous":"AB2C4","energy":-421.25299563,"energy_per_atom":-7.5223749219642855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.58099563,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":63.9999117,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.600000Z","spacegroup":8},{"id":"mp-1216406","created_at":"2022-09-04T14:41:53.248429Z","structure_string":"V2 Ni10 B4 O20\n1.0\n0.000000 0.000000 3.020801\n9.254403 0.000000 0.000000\n0.000000 12.363200 0.000000\nV Ni B O\n2 10 4 20\ndirect\n0.000000 0.256362 0.614722 V\n0.000000 0.243638 0.114722 V\n0.500000 0.504875 0.496642 Ni\n0.500000 0.995125 0.996642 Ni\n0.500000 0.510450 0.219735 Ni\n0.500000 0.501689 0.783345 Ni\n0.500000 0.998311 0.283345 Ni\n0.500000 0.989550 0.719735 Ni\n0.000000 0.991639 0.498373 Ni\n0.000000 0.508361 0.998373 Ni\n0.000000 0.741337 0.385210 Ni\n0.000000 0.758663 0.885210 Ni\n0.000000 0.780430 0.139154 B\n0.000000 0.225986 0.861033 B\n0.000000 0.274014 0.361033 B\n0.000000 0.719570 0.639154 B\n0.000000 0.629083 0.140239 O\n0.000000 0.374872 0.859222 O\n0.000000 0.125128 0.359222 O\n0.000000 0.870917 0.640239 O\n0.000000 0.644943 0.542050 O\n0.000000 0.349049 0.458999 O\n0.000000 0.150951 0.958999 O\n0.000000 0.855057 0.042050 O\n0.000000 0.855693 0.235832 O\n0.000000 0.150093 0.763364 O\n0.000000 0.349907 0.263364 O\n0.000000 0.644307 0.735832 O\n0.500000 0.887568 0.422198 O\n0.500000 0.117598 0.579800 O\n0.500000 0.382402 0.079799 O\n0.500000 0.612432 0.922198 O\n0.500000 0.610255 0.356827 O\n0.500000 0.383045 0.643256 O\n0.500000 0.116955 0.143256 O\n0.500000 0.889745 0.856827 O\n","nsites":36,"nelements":4,"elements":["V","Ni","B","O"],"chemical_system":"B-Ni-O-V","density":5.054563376948131,"density_atomic":0.10416002650887014,"volume":345.6220318543629,"volume_molar":5.78162368217827,"formula_full":"V2 Ni10 B4 O20","formula_reduced":"VNi5(BO5)2","formula_anonymous":"AB2C5D10","energy":-269.15485739,"energy_per_atom":-7.476523816388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.60485739,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9999282,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.041000Z","spacegroup":26},{"id":"mp-1016566","created_at":"2022-09-04T14:41:54.662557Z","structure_string":"Ba2 Mg12 Bi2\n1.0\n5.201486 0.000000 0.000000\n0.000000 7.226757 0.000000\n0.000000 0.000000 12.234102\nBa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.330028 Ba\n0.000000 0.000000 0.830028 Ba\n0.000000 0.249152 0.077619 Mg\n0.000000 0.750848 0.077619 Mg\n0.000000 0.500000 0.843194 Mg\n0.500000 0.284400 0.927855 Mg\n0.500000 0.715600 0.927855 Mg\n0.500000 0.500000 0.668642 Mg\n0.000000 0.749152 0.577619 Mg\n0.000000 0.250848 0.577619 Mg\n0.000000 0.000000 0.343194 Mg\n0.500000 0.784400 0.427855 Mg\n0.500000 0.215600 0.427855 Mg\n0.500000 0.000000 0.168642 Mg\n0.500000 0.500000 0.147186 Bi\n0.500000 0.000000 0.647186 Bi\n","nsites":16,"nelements":3,"elements":["Ba","Mg","Bi"],"chemical_system":"Ba-Bi-Mg","density":3.554041387165054,"density_atomic":0.03479180815401555,"volume":459.8783693325619,"volume_molar":17.309076703749717,"formula_full":"Ba2 Mg12 Bi2","formula_reduced":"BaMg6Bi","formula_anonymous":"ABC6","energy":-30.94803468,"energy_per_atom":-1.9342521675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.94803468,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040696,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.828000Z","spacegroup":38},{"id":"mp-1192307","created_at":"2022-09-04T14:41:54.636362Z","structure_string":"Na4 S4 O16\n1.0\n6.864210 0.000000 0.000000\n0.210710 7.039352 0.000000\n0.887482 1.461601 6.847019\nNa S O\n4 4 16\ndirect\n0.451401 0.314787 0.727177 Na\n0.548599 0.685213 0.272823 Na\n0.852653 0.183283 0.324551 Na\n0.147347 0.816717 0.675449 Na\n0.383095 0.206331 0.273834 S\n0.616905 0.793669 0.726166 S\n0.957984 0.296974 0.786400 S\n0.042016 0.703026 0.213600 S\n0.353399 0.302847 0.070055 O\n0.646601 0.697153 0.929945 O\n0.485188 0.337539 0.368376 O\n0.514812 0.662461 0.631624 O\n0.192930 0.142890 0.388730 O\n0.807070 0.857110 0.611270 O\n0.514389 0.036216 0.255009 O\n0.485611 0.963784 0.744991 O\n0.849249 0.319233 0.975521 O\n0.150751 0.680767 0.024479 O\n0.105779 0.454185 0.715606 O\n0.894221 0.545815 0.284394 O\n0.062994 0.107812 0.817223 O\n0.937006 0.892188 0.182777 O\n0.816837 0.305599 0.641709 O\n0.183163 0.694401 0.358291 O\n","nsites":24,"nelements":3,"elements":["Na","S","O"],"chemical_system":"Na-O-S","density":2.390134575984087,"density_atomic":0.07254148881173741,"volume":330.84515348569374,"volume_molar":8.301650350227717,"formula_full":"Na4 S4 O16","formula_reduced":"NaSO4","formula_anonymous":"ABC4","energy":-144.4793824,"energy_per_atom":-6.019974266666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.4873824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0011053,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.503000Z","spacegroup":2},{"id":"mp-1111888","created_at":"2022-09-04T14:41:55.391281Z","structure_string":"Na3 Nb1 F6\n1.0\n0.000000 4.287422 4.287422\n4.287422 0.000000 4.287422\n4.287422 4.287422 0.000000\nNa Nb F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nb\n0.243806 0.243806 0.756194 F\n0.243806 0.756194 0.756194 F\n0.756194 0.756194 0.243806 F\n0.243806 0.756194 0.243806 F\n0.756194 0.243806 0.756194 F\n0.756194 0.243806 0.243806 F\n","nsites":10,"nelements":3,"elements":["Na","Nb","F"],"chemical_system":"F-Na-Nb","density":2.906221770343082,"density_atomic":0.06344264895249685,"volume":157.62267441713496,"volume_molar":9.492259323076375,"formula_full":"Na3 Nb1 F6","formula_reduced":"Na3NbF6","formula_anonymous":"AB3C6","energy":-53.90191297,"energy_per_atom":-5.390191296999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.12991297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9919783,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.035000Z","spacegroup":225},{"id":"mp-1522715","created_at":"2022-09-04T14:41:55.567005Z","structure_string":"Ba4 Na4 Tb4 Bi4 O24\n1.0\n8.680044 0.000000 0.000000\n0.000000 8.607387 0.000000\n0.000000 0.000000 8.680561\nBa Na Tb Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\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\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992301 0.218168 0.280273 O\n0.007699 0.781832 0.280273 O\n0.007699 0.218168 0.719727 O\n0.992301 0.781832 0.719727 O\n0.273361 0.993345 0.214171 O\n0.273361 0.006655 0.785829 O\n0.726639 0.006655 0.214171 O\n0.726639 0.993345 0.785829 O\n0.214885 0.271306 0.992329 O\n0.785115 0.271306 0.007671 O\n0.214885 0.728694 0.007671 O\n0.785115 0.728694 0.992329 O\n0.507699 0.281832 0.219727 O\n0.492301 0.718168 0.219727 O\n0.492301 0.281832 0.780273 O\n0.507699 0.718168 0.780273 O\n0.226639 0.506655 0.285829 O\n0.226639 0.493345 0.714171 O\n0.773361 0.493345 0.285829 O\n0.773361 0.506655 0.714171 O\n0.285115 0.228694 0.507671 O\n0.714885 0.228694 0.492329 O\n0.285115 0.771306 0.492329 O\n0.714885 0.771306 0.507671 O\n","nsites":40,"nelements":5,"elements":["Ba","Na","Tb","Bi","O"],"chemical_system":"Ba-Bi-Na-O-Tb","density":6.393003856018778,"density_atomic":0.06167638936333343,"volume":648.5463953533566,"volume_molar":9.764094205521308,"formula_full":"Ba4 Na4 Tb4 Bi4 O24","formula_reduced":"BaNaTbBiO6","formula_anonymous":"ABCDE6","energy":-260.02097288,"energy_per_atom":-6.5005243219999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.53297288,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.025000Z","spacegroup":48},{"id":"mp-1246625","created_at":"2022-09-04T14:41:53.914129Z","structure_string":"K12 Os2 N8\n1.0\n8.780073 0.000000 0.000000\n0.000000 8.780073 0.000000\n0.000000 0.000000 7.698018\nK Os N\n12 2 8\ndirect\n0.000000 0.500000 0.770085 K\n0.500000 0.000000 0.729915 K\n0.500000 0.000000 0.229915 K\n0.000000 0.500000 0.270085 K\n0.225701 0.225701 0.500000 K\n0.774299 0.774299 0.500000 K\n0.725701 0.725701 0.000000 K\n0.274299 0.274299 0.000000 K\n0.774299 0.225701 0.500000 K\n0.225701 0.774299 0.500000 K\n0.274299 0.725701 0.000000 K\n0.725701 0.274299 0.000000 K\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.327226 0.500000 0.367562 N\n0.672774 0.500000 0.367562 N\n0.827226 0.000000 0.132438 N\n0.172774 0.000000 0.132438 N\n0.500000 0.327226 0.632438 N\n0.500000 0.672774 0.632438 N\n0.000000 0.827226 0.867562 N\n0.000000 0.172774 0.867562 N\n","nsites":22,"nelements":3,"elements":["K","Os","N"],"chemical_system":"K-N-Os","density":2.69097998078198,"density_atomic":0.03707212706803497,"volume":593.4377587675366,"volume_molar":16.244389616350137,"formula_full":"K12 Os2 N8","formula_reduced":"K6OsN4","formula_anonymous":"AB4C6","energy":-102.10522871,"energy_per_atom":-4.641146759545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.21722871,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007385,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.837000Z","spacegroup":137},{"id":"mp-680636","created_at":"2022-09-04T14:41:53.256642Z","structure_string":"Er2 Al40 Cr4\n1.0\n0.000000 7.231931 7.231931\n7.231931 0.000000 7.231931\n7.231931 7.231931 0.000000\nEr Al Cr\n2 40 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 Er\n0.067797 0.799796 0.799796 Al\n0.450204 0.917390 0.182203 Al\n0.799796 0.332610 0.799796 Al\n0.450204 0.917390 0.450204 Al\n0.182203 0.450204 0.450204 Al\n0.182203 0.917390 0.450204 Al\n0.332610 0.067797 0.799796 Al\n0.799796 0.067797 0.332610 Al\n0.612072 0.887928 0.612072 Al\n0.362072 0.637928 0.637928 Al\n0.917390 0.182203 0.450204 Al\n0.917390 0.450204 0.450204 Al\n0.450204 0.450204 0.182203 Al\n0.637928 0.362072 0.362072 Al\n0.887928 0.612072 0.887928 Al\n0.362072 0.637928 0.362072 Al\n0.887928 0.612072 0.612072 Al\n0.332610 0.799796 0.067797 Al\n0.067797 0.799796 0.332610 Al\n0.637928 0.362072 0.637928 Al\n0.450204 0.450204 0.917390 Al\n0.799796 0.799796 0.332610 Al\n0.067797 0.332610 0.799796 Al\n0.637928 0.637928 0.362072 Al\n0.125000 0.125000 0.625000 Al\n0.332610 0.799796 0.799796 Al\n0.362072 0.362072 0.637928 Al\n0.612072 0.887928 0.887928 Al\n0.612072 0.612072 0.887928 Al\n0.917390 0.450204 0.182203 Al\n0.799796 0.067797 0.799796 Al\n0.887928 0.887928 0.612072 Al\n0.799796 0.332610 0.067797 Al\n0.125000 0.125000 0.125000 Al\n0.450204 0.182203 0.450204 Al\n0.450204 0.182203 0.917390 Al\n0.182203 0.450204 0.917390 Al\n0.625000 0.125000 0.125000 Al\n0.799796 0.799796 0.067797 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.125000 0.625000 0.625000 Cr\n","nsites":46,"nelements":3,"elements":["Er","Al","Cr"],"chemical_system":"Al-Cr-Er","density":3.5599501851759943,"density_atomic":0.06080860135165415,"volume":756.4719295874528,"volume_molar":9.903435741227062,"formula_full":"Er2 Al40 Cr4","formula_reduced":"Er(Al10Cr)2","formula_anonymous":"AB2C20","energy":-203.8773601,"energy_per_atom":-4.432116523913043,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.8773601,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.644489,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.647000Z","spacegroup":227},{"id":"mp-631465","created_at":"2022-09-04T14:41:53.845368Z","structure_string":"Y1 Rh1 W2\n1.0\n0.000000 3.268476 3.268476\n3.268476 0.000000 3.268476\n3.268476 3.268476 0.000000\nY Rh W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Rh\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n","nsites":4,"nelements":3,"elements":["Y","Rh","W"],"chemical_system":"Rh-W-Y","density":13.303826647877376,"density_atomic":0.0572788242376533,"volume":69.83383568426193,"volume_molar":10.513729707533406,"formula_full":"Y1 Rh1 W2","formula_reduced":"YRhW2","formula_anonymous":"ABC2","energy":-37.20373497,"energy_per_atom":-9.3009337425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.20373497,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015055,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.825000Z","spacegroup":225},{"id":"mp-1195070","created_at":"2022-09-04T14:41:54.647716Z","structure_string":"Zr16 Cu4 Sb28\n1.0\n11.290148 0.000000 0.000000\n0.000000 11.290148 0.000000\n0.000000 0.000000 8.772933\nZr Cu Sb\n16 4 28\ndirect\n0.500000 0.500000 0.301278 Zr\n0.000000 0.000000 0.301278 Zr\n0.745741 0.245741 0.293307 Zr\n0.254259 0.754259 0.293307 Zr\n0.245741 0.254259 0.293307 Zr\n0.754259 0.745741 0.293307 Zr\n0.000000 0.500000 0.284848 Zr\n0.500000 0.000000 0.284848 Zr\n0.004926 0.248797 0.820390 Zr\n0.995074 0.751203 0.820390 Zr\n0.504926 0.251203 0.820390 Zr\n0.495074 0.748797 0.820390 Zr\n0.751203 0.004926 0.820390 Zr\n0.248797 0.995074 0.820390 Zr\n0.748797 0.504926 0.820390 Zr\n0.251203 0.495074 0.820390 Zr\n0.874119 0.374119 0.552089 Cu\n0.125881 0.625881 0.552089 Cu\n0.374119 0.125881 0.552089 Cu\n0.625881 0.874119 0.552089 Cu\n0.000000 0.500000 0.933094 Sb\n0.500000 0.000000 0.933094 Sb\n0.500000 0.500000 0.947097 Sb\n0.000000 0.000000 0.947097 Sb\n0.253156 0.246844 0.942003 Sb\n0.746844 0.753156 0.942003 Sb\n0.753156 0.253156 0.942003 Sb\n0.246844 0.746844 0.942003 Sb\n0.108047 0.391953 0.557889 Sb\n0.891953 0.608047 0.557889 Sb\n0.608047 0.108047 0.557889 Sb\n0.391953 0.891953 0.557889 Sb\n0.497182 0.250846 0.174884 Sb\n0.502818 0.749154 0.174884 Sb\n0.997182 0.249154 0.174884 Sb\n0.002818 0.750846 0.174884 Sb\n0.749154 0.497182 0.174884 Sb\n0.250846 0.502818 0.174884 Sb\n0.750846 0.997182 0.174884 Sb\n0.249154 0.002818 0.174884 Sb\n0.642780 0.375160 0.556852 Sb\n0.357220 0.624840 0.556852 Sb\n0.142780 0.124840 0.556852 Sb\n0.857220 0.875160 0.556852 Sb\n0.624840 0.642780 0.556852 Sb\n0.375160 0.357220 0.556852 Sb\n0.875160 0.142780 0.556852 Sb\n0.124840 0.857220 0.556852 Sb\n","nsites":48,"nelements":3,"elements":["Zr","Cu","Sb"],"chemical_system":"Cu-Sb-Zr","density":7.607350735408062,"density_atomic":0.042923700380069395,"volume":1118.263327135879,"volume_molar":14.029873255746233,"formula_full":"Zr16 Cu4 Sb28","formula_reduced":"Zr4CuSb7","formula_anonymous":"AB4C7","energy":-299.75998466,"energy_per_atom":-6.244999680416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-294.38398466,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00071,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.547000Z","spacegroup":100},{"id":"mp-1185811","created_at":"2022-09-04T14:41:54.628564Z","structure_string":"Mg5 Ge1\n1.0\n5.314368 -2.707044 0.000000\n5.314368 2.707044 0.000000\n3.935448 0.000000 4.481389\nMg Ge\n5 1\ndirect\n0.161155 0.838845 0.500000 Mg\n0.500000 0.161155 0.838845 Mg\n0.838845 0.500000 0.161155 Mg\n0.332892 0.332892 0.332892 Mg\n0.667108 0.667108 0.667108 Mg\n0.000000 0.000000 0.000000 Ge\n","nsites":6,"nelements":2,"elements":["Mg","Ge"],"chemical_system":"Ge-Mg","density":2.5005207680597943,"density_atomic":0.04653306634181222,"volume":128.94056789480706,"volume_molar":12.941637492281084,"formula_full":"Mg5 Ge1","formula_reduced":"Mg5Ge","formula_anonymous":"AB5","energy":-12.72754158,"energy_per_atom":-2.12125693,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.72754158,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017899,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.983000Z","spacegroup":155},{"id":"mp-12769","created_at":"2022-09-04T14:42:14.327497Z","structure_string":"Y2 Si4\n1.0\n-1.997650 1.997650 7.291126\n1.997650 -1.997650 7.291126\n1.997650 1.997650 -7.291126\nY Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.332433 0.832433 0.500000 Si\n0.417567 0.417567 0.000000 Si\n0.167567 0.667567 0.500000 Si\n0.582433 0.582433 0.000000 Si\n","nsites":6,"nelements":2,"elements":["Y","Si"],"chemical_system":"Si-Y","density":4.139842478163755,"density_atomic":0.05155346453209773,"volume":116.38403072337334,"volume_molar":11.681350253871983,"formula_full":"Y2 Si4","formula_reduced":"YSi2","formula_anonymous":"AB2","energy":-37.63751639,"energy_per_atom":-6.272919398333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.92151639,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002643,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.927000Z","spacegroup":141}]}