{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=9","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=7","results":[{"id":"mp-1100640","created_at":"2022-09-04T14:40:09.961243Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n1.444469 7.659283 0.000000\n-1.444469 7.659283 0.000000\n0.000000 0.565911 13.056447\nLi Mn Co O\n9 2 5 16\ndirect\n0.437482 0.437482 0.195963 Li\n0.311538 0.311538 0.558619 Li\n0.192469 0.192469 0.938717 Li\n0.064219 0.064219 0.328129 Li\n0.940207 0.940207 0.666932 Li\n0.810382 0.810382 0.070560 Li\n0.686378 0.686378 0.435322 Li\n0.558057 0.558057 0.805726 Li\n0.499456 0.499456 0.499086 Li\n0.000359 0.000359 0.000229 Mn\n0.747242 0.747242 0.749111 Mn\n0.880894 0.880894 0.388634 Co\n0.627920 0.627920 0.128495 Co\n0.375148 0.375148 0.872557 Co\n0.253305 0.253305 0.251444 Co\n0.115775 0.115775 0.610428 Co\n0.416185 0.416185 0.025796 O\n0.289749 0.289749 0.398182 O\n0.165892 0.165892 0.779346 O\n0.033199 0.033199 0.142133 O\n0.902049 0.902049 0.523495 O\n0.781707 0.781707 0.893354 O\n0.660311 0.660311 0.276342 O\n0.535389 0.535389 0.656916 O\n0.460775 0.460775 0.346439 O\n0.332387 0.332387 0.722857 O\n0.216602 0.216602 0.095959 O\n0.099231 0.099231 0.476235 O\n0.969232 0.969232 0.857787 O\n0.839405 0.839405 0.221047 O\n0.713391 0.713391 0.610292 O\n0.583665 0.583665 0.973869 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.155630515691088,"density_atomic":0.11076399982981058,"volume":288.9025319523325,"volume_molar":5.4369116041791985,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-204.38594687,"energy_per_atom":-6.3870608396875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.86794687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8610407,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.207000Z","spacegroup":8},{"id":"mp-1390540","created_at":"2022-09-04T14:40:10.177780Z","structure_string":"Ca2 Ag1 W1 O6\n1.0\n-5.543943 0.000000 0.000000\n-0.004624 -5.803266 0.000000\n2.772507 2.672708 4.344256\nCa Ag W O\n2 1 1 6\ndirect\n0.766141 0.661246 0.444532 Ca\n0.274306 0.147938 0.443039 Ca\n0.502233 0.485290 0.988405 Ag\n0.984685 0.019917 0.018090 W\n0.189096 0.282229 0.925000 O\n0.730403 0.816573 0.147365 O\n0.319607 0.808297 0.922392 O\n0.055751 0.856566 0.614388 O\n0.887549 0.267785 0.438875 O\n0.626370 0.298814 0.180513 O\n","nsites":10,"nelements":4,"elements":["Ca","Ag","W","O"],"chemical_system":"Ag-Ca-O-W","density":5.558516861479126,"density_atomic":0.07154731765878272,"volume":139.7676436689232,"volume_molar":8.417004238677785,"formula_full":"Ca2 Ag1 W1 O6","formula_reduced":"Ca2AgWO6","formula_anonymous":"ABC2D6","energy":-32.92896352,"energy_per_atom":-3.2928963520000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.70096352,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9635441,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.385000Z","spacegroup":1},{"id":"mp-1022478","created_at":"2022-09-04T14:40:09.846829Z","structure_string":"Mg12 Zr2 Nb2\n1.0\n4.983143 0.000000 0.000000\n0.000000 6.174596 0.000000\n0.000000 0.000000 11.288632\nMg Zr Nb\n12 2 2\ndirect\n0.000000 0.256765 0.072552 Mg\n0.000000 0.743235 0.072552 Mg\n0.000000 0.000000 0.327827 Mg\n0.500000 0.745474 0.427302 Mg\n0.500000 0.254526 0.427302 Mg\n0.500000 0.000000 0.173216 Mg\n0.000000 0.756765 0.572552 Mg\n0.000000 0.243235 0.572552 Mg\n0.000000 0.500000 0.827827 Mg\n0.500000 0.245474 0.927302 Mg\n0.500000 0.754526 0.927302 Mg\n0.500000 0.500000 0.673216 Mg\n0.000000 0.500000 0.301601 Zr\n0.000000 0.000000 0.801601 Zr\n0.500000 0.500000 0.197649 Nb\n0.500000 0.000000 0.697649 Nb\n","nsites":16,"nelements":3,"elements":["Mg","Zr","Nb"],"chemical_system":"Mg-Nb-Zr","density":3.154915088752755,"density_atomic":0.046064543280942394,"volume":347.3387308415895,"volume_molar":13.073267053298784,"formula_full":"Mg12 Zr2 Nb2","formula_reduced":"Mg6ZrNb","formula_anonymous":"ABC6","energy":-54.48484202,"energy_per_atom":-3.40530262625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.48484202,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0105015,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.175000Z","spacegroup":38},{"id":"mp-1075013","created_at":"2022-09-04T14:40:10.116906Z","structure_string":"Mg6 Si8\n1.0\n5.341191 0.000000 0.000000\n-1.182624 6.317713 0.000000\n-0.383838 -1.434734 8.181638\nMg Si\n6 8\ndirect\n0.113035 0.858053 0.470289 Mg\n0.405300 0.582136 0.780489 Mg\n0.908352 0.318070 0.812414 Mg\n0.479898 0.280254 0.063595 Mg\n0.556817 0.561996 0.408039 Mg\n0.647590 0.090492 0.400131 Mg\n0.016800 0.449382 0.510466 Si\n0.418243 0.140334 0.733184 Si\n0.538489 0.733738 0.125194 Si\n0.095562 0.695120 0.039893 Si\n0.075263 0.922182 0.837658 Si\n0.880006 0.036048 0.085780 Si\n0.694034 0.885963 0.663312 Si\n0.177147 0.192854 0.316286 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.2285144708138445,"density_atomic":0.05070955204663245,"volume":276.08210751153183,"volume_molar":11.87575223394213,"formula_full":"Mg6 Si8","formula_reduced":"Mg3Si4","formula_anonymous":"A3B4","energy":-50.85240167,"energy_per_atom":-3.632314405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.42040167,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.7e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.923000Z","spacegroup":1},{"id":"mp-1232447","created_at":"2022-09-04T14:40:09.967135Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n1.432358 2.689079 0.000000\n-1.432358 2.689079 0.000000\n0.000000 2.006064 29.701748\nLi Mn Co O\n7 4 1 12\ndirect\n0.666910 0.666910 0.082773 Li\n0.000132 0.000132 0.249893 Li\n0.333151 0.333151 0.416935 Li\n0.673121 0.673121 0.588392 Li\n0.990995 0.990995 0.747976 Li\n0.333616 0.333616 0.914037 Li\n0.332689 0.332689 0.667123 Li\n0.998344 0.998344 0.999361 Mn\n0.003288 0.003288 0.500036 Mn\n0.333199 0.333199 0.166576 Mn\n0.666575 0.666575 0.333403 Mn\n0.666014 0.666014 0.833076 Co\n0.356652 0.356652 0.037894 O\n0.689659 0.689659 0.205104 O\n0.023016 0.023016 0.371639 O\n0.347784 0.347784 0.535905 O\n0.671022 0.671022 0.709783 O\n0.990166 0.990166 0.871735 O\n0.977051 0.977051 0.128332 O\n0.310684 0.310684 0.294776 O\n0.649189 0.649189 0.461581 O\n0.996013 0.996013 0.624929 O\n0.347293 0.347293 0.797383 O\n0.643437 0.643437 0.961357 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.7685228314642067,"density_atomic":0.10489241820398512,"volume":228.8058604324195,"volume_molar":5.741254575987269,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy":-162.70651516,"energy_per_atom":-6.779438131666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.15251516,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.4305513,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.225000Z","spacegroup":8},{"id":"mp-1079553","created_at":"2022-09-04T14:40:10.120718Z","structure_string":"Ce3 In3 Rh3\n1.0\n3.788631 -6.562101 0.000000\n3.788631 6.562101 0.000000\n0.000000 0.000000 4.026483\nCe In Rh\n3 3 3\ndirect\n0.413691 0.000000 0.500000 Ce\n0.000000 0.413691 0.500000 Ce\n0.586309 0.586309 0.500000 Ce\n0.750111 0.000000 0.000000 In\n0.000000 0.750111 0.000000 In\n0.249889 0.249889 0.000000 In\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n","nsites":9,"nelements":3,"elements":["Ce","In","Rh"],"chemical_system":"Ce-In-Rh","density":8.903844075838535,"density_atomic":0.044953284096631387,"volume":200.20784200446042,"volume_molar":13.396442286741124,"formula_full":"Ce3 In3 Rh3","formula_reduced":"CeInRh","formula_anonymous":"ABC","energy":-54.46559147,"energy_per_atom":-6.051732385555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.46559147,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4914656,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.026000Z","spacegroup":189},{"id":"mp-1063607","created_at":"2022-09-04T14:40:09.979622Z","structure_string":"Cr4 Pd4 O8\n1.0\n-1.503022 -2.603315 0.000005\n8.985856 -5.187996 0.012441\n-1.491374 0.861036 6.093128\nCr Pd O\n4 4 8\ndirect\n0.999998 0.749496 0.500213 Cr\n0.500001 0.000502 0.499787 Cr\n0.999996 0.249364 0.500093 Cr\n0.500001 0.500637 0.499904 Cr\n0.000000 0.499668 0.998970 Pd\n0.500001 0.750322 0.001029 Pd\n0.000000 0.999678 0.998974 Pd\n0.500002 0.250332 0.001030 Pd\n0.500003 0.695076 0.668465 O\n0.000005 0.944455 0.666158 O\n0.500001 0.195051 0.668467 O\n0.000005 0.444454 0.666142 O\n0.499996 0.805545 0.333846 O\n0.999998 0.054924 0.331534 O\n0.499994 0.305546 0.333858 O\n0.999999 0.554949 0.331532 O\n","nsites":16,"nelements":3,"elements":["Cr","Pd","O"],"chemical_system":"Cr-O-Pd","density":6.652695484937658,"density_atomic":0.08416036488227784,"volume":190.11324419019027,"volume_molar":7.155554480334864,"formula_full":"Cr4 Pd4 O8","formula_reduced":"CrPdO2","formula_anonymous":"ABC2","energy":-125.88322988,"energy_per_atom":-7.8677018675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.39122988,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.84e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.895000Z","spacegroup":166},{"id":"mp-1078628","created_at":"2022-09-04T14:40:10.382166Z","structure_string":"Na4 Hg2 Pb2\n1.0\n3.890621 -4.895621 0.000000\n3.890621 4.895621 0.000000\n0.000000 0.000000 6.169308\nNa Hg Pb\n4 2 2\ndirect\n0.509263 0.131673 0.250000 Na\n0.868327 0.490737 0.750000 Na\n0.490737 0.868327 0.750000 Na\n0.131673 0.509263 0.250000 Na\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.661400 0.661400 0.250000 Pb\n0.338600 0.338600 0.750000 Pb\n","nsites":8,"nelements":3,"elements":["Na","Hg","Pb"],"chemical_system":"Hg-Na-Pb","density":6.412409775473534,"density_atomic":0.034040569946226604,"volume":235.013691387585,"volume_molar":17.69106912579046,"formula_full":"Na4 Hg2 Pb2","formula_reduced":"Na2HgPb","formula_anonymous":"ABC2","energy":-14.73009354,"energy_per_atom":-1.8412616925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.73009354,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009839,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.941000Z","spacegroup":63},{"id":"mp-781080","created_at":"2022-09-04T14:40:09.970608Z","structure_string":"Fe8 O10 F6\n1.0\n4.723752 0.000000 0.000000\n0.000000 6.092902 0.000000\n0.000000 3.039312 9.438895\nFe O F\n8 10 6\ndirect\n0.449100 0.678497 0.385761 Fe\n0.525144 0.438136 0.866454 Fe\n0.505536 0.940442 0.877106 Fe\n0.517489 0.200034 0.352544 Fe\n0.017489 0.799966 0.647456 Fe\n0.025144 0.561864 0.133546 Fe\n0.949100 0.321503 0.614239 Fe\n0.005536 0.059558 0.122894 Fe\n0.824513 0.268421 0.211075 O\n0.803421 0.514266 0.724095 O\n0.804131 0.015666 0.722916 O\n0.698672 0.141053 0.969079 O\n0.672199 0.391248 0.464741 O\n0.324513 0.731579 0.788925 O\n0.303421 0.485734 0.275905 O\n0.304131 0.984334 0.277084 O\n0.198672 0.858947 0.030921 O\n0.172199 0.608752 0.535259 O\n0.797506 0.762206 0.226333 F\n0.689143 0.891917 0.471844 F\n0.713145 0.634792 0.980713 F\n0.297506 0.237794 0.773667 F\n0.213145 0.365208 0.019287 F\n0.189143 0.108083 0.528156 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.405527830887213,"density_atomic":0.08834435515985041,"volume":271.6642161977906,"volume_molar":6.81666728915903,"formula_full":"Fe8 O10 F6","formula_reduced":"Fe4O5F3","formula_anonymous":"A3B4C5","energy":-169.77971295,"energy_per_atom":-7.07415470625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.08971295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.395000Z","spacegroup":4},{"id":"mp-39207","created_at":"2022-09-04T14:40:10.232184Z","structure_string":"Ca3 La5 Mn7 Ni1 O24\n1.0\n5.495316 0.000000 0.000000\n-0.000634 7.784299 0.000000\n-0.016788 -0.002791 11.058740\nCa La Mn Ni O\n3 5 7 1 24\ndirect\n0.486964 0.751655 0.270171 Ca\n0.989115 0.250970 0.482585 Ca\n0.515876 0.248756 0.727626 Ca\n0.007331 0.753887 0.018871 La\n0.505202 0.247687 0.237860 La\n0.003044 0.749200 0.510818 La\n0.493602 0.751835 0.765245 La\n0.995408 0.246112 0.983398 La\n0.999495 0.502792 0.252437 Mn\n0.498774 0.495361 0.500176 Mn\n0.000437 0.493312 0.747359 Mn\n0.001557 0.998998 0.252315 Mn\n0.499793 0.003662 0.500423 Mn\n0.998522 0.004785 0.747628 Mn\n0.501191 0.500274 0.000514 Mn\n0.500295 0.000635 0.999947 Ni\n0.431737 0.258382 0.014234 O\n0.789563 0.036323 0.113611 O\n0.784865 0.462964 0.109235 O\n0.280407 0.544188 0.141535 O\n0.273202 0.960749 0.145573 O\n0.919665 0.751849 0.248673 O\n0.066521 0.249411 0.256303 O\n0.720476 0.038034 0.361655 O\n0.718044 0.463131 0.361621 O\n0.218871 0.537718 0.388529 O\n0.221385 0.961114 0.390367 O\n0.564607 0.751533 0.498096 O\n0.420316 0.247888 0.503418 O\n0.783668 0.460087 0.608585 O\n0.785837 0.040443 0.606208 O\n0.278418 0.540143 0.639287 O\n0.279434 0.959242 0.638934 O\n0.931934 0.750455 0.740923 O\n0.086055 0.248201 0.758849 O\n0.725658 0.039801 0.853345 O\n0.722270 0.455454 0.857401 O\n0.218700 0.539189 0.891523 O\n0.209906 0.961406 0.886906 O\n0.571855 0.742370 0.987817 O\n","nsites":40,"nelements":5,"elements":["Ca","La","Mn","Ni","O"],"chemical_system":"Ca-La-Mn-Ni-O","density":5.763763938227478,"density_atomic":0.08455555874473364,"volume":473.06174299855024,"volume_molar":7.122111011270535,"formula_full":"Ca3 La5 Mn7 Ni1 O24","formula_reduced":"Ca3La5Mn7NiO24","formula_anonymous":"AB3C5D7E24","energy":-330.74310433,"energy_per_atom":-8.26857760825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.03810433,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9994836,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.341000Z","spacegroup":1},{"id":"mp-18345","created_at":"2022-09-04T14:40:09.994850Z","structure_string":"La20 Si16\n1.0\n8.044392 0.000000 0.000000\n0.000000 8.044392 0.000000\n0.000000 0.000000 15.547280\nLa Si\n20 16\ndirect\n0.374445 0.479452 0.373624 La\n0.874445 0.020548 0.376376 La\n0.979452 0.125555 0.123624 La\n0.020548 0.874445 0.623624 La\n0.625555 0.520548 0.873624 La\n0.479452 0.374445 0.626376 La\n0.520548 0.625555 0.126376 La\n0.125555 0.979452 0.876376 La\n0.988755 0.620228 0.052958 La\n0.011245 0.379772 0.552958 La\n0.620228 0.988755 0.947042 La\n0.120228 0.511245 0.802958 La\n0.879772 0.488755 0.302958 La\n0.511245 0.120228 0.197042 La\n0.488755 0.879772 0.697042 La\n0.379772 0.011245 0.447042 La\n0.692836 0.692836 0.500000 La\n0.807164 0.192836 0.750000 La\n0.192836 0.807164 0.250000 La\n0.307164 0.307164 0.000000 La\n0.079972 0.711055 0.440753 Si\n0.920028 0.288945 0.940753 Si\n0.711055 0.079972 0.559247 Si\n0.211056 0.420028 0.190753 Si\n0.788945 0.579972 0.690753 Si\n0.420028 0.211056 0.809247 Si\n0.579972 0.788945 0.309247 Si\n0.288945 0.920028 0.059247 Si\n0.829121 0.805305 0.795699 Si\n0.170879 0.194695 0.295699 Si\n0.805305 0.829121 0.204301 Si\n0.305305 0.670879 0.545699 Si\n0.694695 0.329121 0.045699 Si\n0.670879 0.305305 0.454301 Si\n0.329121 0.694695 0.954301 Si\n0.194695 0.170879 0.704301 Si\n","nsites":36,"nelements":2,"elements":["La","Si"],"chemical_system":"La-Si","density":5.326861882803151,"density_atomic":0.03578175434543963,"volume":1006.0993559022683,"volume_molar":16.830199832746654,"formula_full":"La20 Si16","formula_reduced":"La5Si4","formula_anonymous":"A4B5","energy":-209.04987779000004,"energy_per_atom":-5.806941049722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.18587779,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.2670412,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.217000Z","spacegroup":92},{"id":"mp-1187990","created_at":"2022-09-04T14:40:10.456301Z","structure_string":"Yb6 Ho2\n1.0\n3.749278 -6.493939 0.000000\n3.749278 6.493939 0.000000\n0.000000 0.000000 6.045311\nYb Ho\n6 2\ndirect\n0.170744 0.341489 0.250000 Yb\n0.658511 0.829256 0.250000 Yb\n0.170744 0.829256 0.250000 Yb\n0.829256 0.658511 0.750000 Yb\n0.341489 0.170744 0.750000 Yb\n0.829256 0.170744 0.750000 Yb\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n","nsites":8,"nelements":2,"elements":["Yb","Ho"],"chemical_system":"Ho-Yb","density":7.717251459280074,"density_atomic":0.02717599756939551,"volume":294.37741814524117,"volume_molar":22.159778107950256,"formula_full":"Yb6 Ho2","formula_reduced":"Yb3Ho","formula_anonymous":"AB3","energy":-17.38671984,"energy_per_atom":-2.17333998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.38671984,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1612789,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.161000Z","spacegroup":194}]}