{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=55","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=band_gap&page=53","results":[{"id":"mp-1218823","created_at":"2022-09-04T14:46:34.646060Z","structure_string":"Sr8 Ca1 Y3 Cu12 Pb8 O32\n1.0\n7.677156 0.000000 0.000000\n-0.070897 7.682236 0.000000\n-3.664982 -3.790627 15.940304\nSr Ca Y Cu Pb O\n8 1 3 12 8 32\ndirect\n0.107253 0.109683 0.218932 Sr\n0.608390 0.611099 0.221364 Sr\n0.391610 0.388901 0.778636 Sr\n0.892747 0.890317 0.781068 Sr\n0.609846 0.109168 0.220835 Sr\n0.109918 0.609125 0.220835 Sr\n0.890082 0.390875 0.779165 Sr\n0.390154 0.890832 0.779165 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.301919 0.301681 0.105288 Cu\n0.803466 0.803239 0.105264 Cu\n0.698081 0.698319 0.894712 Cu\n0.196534 0.196761 0.894736 Cu\n0.749990 0.250021 0.499999 Cu\n0.250010 0.749979 0.500001 Cu\n0.301827 0.803644 0.105753 Cu\n0.803074 0.302308 0.105696 Cu\n0.698173 0.196356 0.894247 Cu\n0.196926 0.697692 0.894304 Cu\n0.249945 0.250004 0.499978 Cu\n0.750055 0.749996 0.500022 Cu\n0.445936 0.947186 0.388403 Pb\n0.946028 0.446899 0.388443 Pb\n0.554064 0.052814 0.611597 Pb\n0.053972 0.553101 0.611557 Pb\n0.441535 0.451143 0.388633 Pb\n0.941999 0.951493 0.388654 Pb\n0.558465 0.548857 0.611367 Pb\n0.058001 0.048507 0.611346 Pb\n0.546556 0.794290 0.092161 O\n0.048008 0.304770 0.095534 O\n0.951992 0.695230 0.904466 O\n0.453444 0.205710 0.907839 O\n0.378588 0.372862 0.251723 O\n0.877200 0.871499 0.251794 O\n0.621412 0.627138 0.748277 O\n0.122800 0.128501 0.748206 O\n0.545552 0.297334 0.091429 O\n0.047195 0.790278 0.094732 O\n0.952805 0.209722 0.905268 O\n0.454448 0.702666 0.908571 O\n0.790446 0.047608 0.095416 O\n0.297497 0.545852 0.092191 O\n0.702503 0.454148 0.907809 O\n0.209554 0.952392 0.904584 O\n0.371553 0.876951 0.251390 O\n0.870091 0.378484 0.251434 O\n0.628447 0.123049 0.748610 O\n0.129909 0.621516 0.748566 O\n0.134322 0.209419 0.386867 O\n0.634325 0.709497 0.386996 O\n0.365675 0.290503 0.613004 O\n0.865678 0.790581 0.613133 O\n0.304251 0.047769 0.094968 O\n0.793712 0.546111 0.091518 O\n0.206288 0.453889 0.908482 O\n0.695749 0.952231 0.905032 O\n0.199276 0.640054 0.386070 O\n0.699265 0.140004 0.386068 O\n0.300735 0.859996 0.613932 O\n0.800724 0.359946 0.613930 O\n","nsites":64,"nelements":6,"elements":["Sr","Ca","Y","Cu","Pb","O"],"chemical_system":"Ca-Cu-O-Pb-Sr-Y","density":6.959025091684077,"density_atomic":0.06807620918533046,"volume":940.122852989164,"volume_molar":8.846175238114895,"formula_full":"Sr8 Ca1 Y3 Cu12 Pb8 O32","formula_reduced":"Sr8CaY3Cu12(PbO4)8","formula_anonymous":"AB3C8D8E12F32","energy":-402.13482566,"energy_per_atom":-6.2833566509375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-380.15082566,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1233617,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.841000Z","spacegroup":2},{"id":"mp-1215608","created_at":"2022-09-04T14:46:35.241045Z","structure_string":"Zn2 Ga1 Cu1 Se4\n1.0\n13.229019 -2.039270 0.000000\n13.229019 2.039270 0.000000\n12.914663 0.000000 3.518103\nZn Ga Cu Se\n2 1 1 4\ndirect\n0.498419 0.498419 0.498419 Zn\n0.747310 0.747310 0.747310 Zn\n0.250008 0.250008 0.250008 Ga\n0.004695 0.004695 0.004695 Cu\n0.939536 0.939536 0.939536 Se\n0.187340 0.187340 0.187340 Se\n0.437259 0.437259 0.437259 Se\n0.685433 0.685433 0.685433 Se\n","nsites":8,"nelements":4,"elements":["Zn","Ga","Cu","Se"],"chemical_system":"Cu-Ga-Se-Zn","density":5.0731944654757095,"density_atomic":0.04214529233438779,"volume":189.81953990321537,"volume_molar":14.288999853694996,"formula_full":"Zn2 Ga1 Cu1 Se4","formula_reduced":"Zn2GaCuSe4","formula_anonymous":"ABC2D4","energy":-29.62817886,"energy_per_atom":-3.7035223575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.74017886,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0257824,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.983000Z","spacegroup":160},{"id":"mp-1208953","created_at":"2022-09-04T14:46:33.177900Z","structure_string":"Sm4 Al18 Co6\n1.0\n3.762250 -6.383635 0.000000\n3.762250 6.383635 0.000000\n0.000000 0.000000 9.399980\nSm Al Co\n4 18 6\ndirect\n0.993596 0.670896 0.250000 Sm\n0.006404 0.329104 0.750000 Sm\n0.670896 0.993596 0.250000 Sm\n0.329104 0.006404 0.750000 Sm\n0.126539 0.126539 0.250000 Al\n0.873461 0.873461 0.750000 Al\n0.000094 0.335213 0.069561 Al\n0.999906 0.664787 0.930439 Al\n0.999906 0.664787 0.569561 Al\n0.335213 0.000094 0.430439 Al\n0.000094 0.335213 0.430439 Al\n0.664787 0.999906 0.569561 Al\n0.664787 0.999906 0.930439 Al\n0.335213 0.000094 0.069561 Al\n0.332750 0.332750 0.541006 Al\n0.667250 0.667250 0.458994 Al\n0.667250 0.667250 0.041006 Al\n0.332750 0.332750 0.958994 Al\n0.338121 0.550818 0.250000 Al\n0.661879 0.449182 0.750000 Al\n0.550818 0.338121 0.250000 Al\n0.449182 0.661879 0.750000 Al\n0.670470 0.329530 0.000000 Co\n0.329530 0.670470 0.000000 Co\n0.329530 0.670470 0.500000 Co\n0.670470 0.329530 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":28,"nelements":3,"elements":["Sm","Al","Co"],"chemical_system":"Al-Co-Sm","density":5.298489764424922,"density_atomic":0.06201338072910401,"volume":451.5154579672688,"volume_molar":9.71103443998127,"formula_full":"Sm4 Al18 Co6","formula_reduced":"Sm2(Al3Co)3","formula_anonymous":"A2B3C9","energy":-144.08971198,"energy_per_atom":-5.146061142142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.08971198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003662,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.821000Z","spacegroup":63},{"id":"mp-1212871","created_at":"2022-09-04T14:46:35.055448Z","structure_string":"Er1 Ga6 Co6\n1.0\n5.045051 0.000000 0.000000\n2.522525 -4.092035 4.316422\n2.522525 -4.092035 -4.316422\nEr Ga Co\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.344847 0.655153 Ga\n0.000000 0.655153 0.344847 Ga\n0.500000 0.188571 0.811429 Ga\n0.500000 0.811429 0.188571 Ga\n0.340086 0.659914 0.659914 Ga\n0.659914 0.340086 0.340086 Ga\n0.262465 0.237535 0.237535 Co\n0.737535 0.762465 0.762465 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":13,"nelements":3,"elements":["Er","Ga","Co"],"chemical_system":"Co-Er-Ga","density":8.750777002384648,"density_atomic":0.0729431575000199,"volume":178.22096609947897,"volume_molar":8.25593649410962,"formula_full":"Er1 Ga6 Co6","formula_reduced":"Er(GaCo)6","formula_anonymous":"AB6C6","energy":-69.74503226,"energy_per_atom":-5.365002481538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.74503226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1517566,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.700000Z","spacegroup":71},{"id":"mp-1214679","created_at":"2022-09-04T14:46:35.956472Z","structure_string":"Ba2 Ca1 Nb1 O6\n1.0\n0.000000 4.309722 4.309722\n4.309722 0.000000 4.309722\n4.309722 4.309722 0.000000\nBa Ca Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Nb\n0.766287 0.233713 0.233713 O\n0.233713 0.766287 0.766287 O\n0.233713 0.766287 0.233713 O\n0.766287 0.233713 0.766287 O\n0.233713 0.233713 0.766287 O\n0.766287 0.766287 0.233713 O\n","nsites":10,"nelements":4,"elements":["Ba","Ca","Nb","O"],"chemical_system":"Ba-Ca-Nb-O","density":5.223806067518879,"density_atomic":0.06246291301091663,"volume":160.09499906372125,"volume_molar":9.641146193337976,"formula_full":"Ba2 Ca1 Nb1 O6","formula_reduced":"Ba2CaNbO6","formula_anonymous":"ABC2D6","energy":-76.51080661,"energy_per_atom":-7.651080661,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.38880661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999739,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.823000Z","spacegroup":225},{"id":"mp-16522","created_at":"2022-09-04T14:46:32.746600Z","structure_string":"Al2 Pd1\n1.0\n0.000000 2.972242 2.972242\n2.972242 0.000000 2.972242\n2.972242 2.972242 0.000000\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n","nsites":3,"nelements":2,"elements":["Al","Pd"],"chemical_system":"Al-Pd","density":5.071368202211684,"density_atomic":0.05712665021131241,"volume":52.514894342709596,"volume_molar":10.54173619094416,"formula_full":"Al2 Pd1","formula_reduced":"Al2Pd","formula_anonymous":"AB2","energy":-14.5228076,"energy_per_atom":-4.840935866666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.5228076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000152,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.559000Z","spacegroup":225},{"id":"mp-1218525","created_at":"2022-09-04T14:46:34.657895Z","structure_string":"Sr3 La1 Ti2 Mn2 O12\n1.0\n9.187681 -2.778229 0.000000\n9.187681 2.778229 0.000000\n8.347583 0.000000 4.738133\nSr La Ti Mn O\n3 1 2 2 12\ndirect\n0.249353 0.249353 0.249353 Sr\n0.000000 0.000000 0.000000 Sr\n0.750647 0.750647 0.750647 Sr\n0.500000 0.500000 0.500000 La\n0.624695 0.624695 0.624695 Ti\n0.375305 0.375305 0.375305 Ti\n0.125148 0.125148 0.125148 Mn\n0.874852 0.874852 0.874852 Mn\n0.000000 0.500000 0.000000 O\n0.745639 0.254381 0.745639 O\n0.500000 0.000000 0.500000 O\n0.254361 0.745619 0.254361 O\n0.254361 0.254361 0.745619 O\n0.000000 0.000000 0.500000 O\n0.745639 0.745639 0.254381 O\n0.500000 0.500000 0.000000 O\n0.745619 0.254361 0.254361 O\n0.500000 0.000000 0.000000 O\n0.254381 0.745639 0.745639 O\n0.000000 0.500000 0.500000 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Ti","Mn","O"],"chemical_system":"La-Mn-O-Sr-Ti","density":5.4876304931599105,"density_atomic":0.08268349095052407,"volume":241.88625528604672,"volume_molar":7.283365386209336,"formula_full":"Sr3 La1 Ti2 Mn2 O12","formula_reduced":"Sr3LaTi2Mn2O12","formula_anonymous":"AB2C2D3E12","energy":-166.23379727000005,"energy_per_atom":-8.311689863500003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.65379727,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0021657,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.171000Z","spacegroup":166},{"id":"mp-1977","created_at":"2022-09-04T14:46:34.662058Z","structure_string":"Nd1 Sn3\n1.0\n4.783301 0.000000 0.000000\n0.000000 4.783301 0.000000\n0.000000 0.000000 4.783301\nNd Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Nd","Sn"],"chemical_system":"Nd-Sn","density":7.592048340340435,"density_atomic":0.03654911448126952,"volume":109.44177599842801,"volume_molar":16.47684450217308,"formula_full":"Nd1 Sn3","formula_reduced":"NdSn3","formula_anonymous":"AB3","energy":-18.79840132,"energy_per_atom":-4.69960033,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.79840132,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035908,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.821000Z","spacegroup":221},{"id":"mp-2327","created_at":"2022-09-04T14:46:35.278747Z","structure_string":"Ti2 Zn32\n1.0\n3.853634 -5.759427 0.000000\n3.853634 5.759427 0.000000\n0.000000 0.000000 11.673307\nTi Zn\n2 32\ndirect\n0.047104 0.952896 0.250000 Ti\n0.952896 0.047104 0.750000 Ti\n0.353377 0.982912 0.430752 Zn\n0.646623 0.017089 0.930752 Zn\n0.982911 0.353377 0.569248 Zn\n0.017088 0.646623 0.069248 Zn\n0.646623 0.017089 0.569248 Zn\n0.353377 0.982912 0.069248 Zn\n0.017088 0.646623 0.430752 Zn\n0.982911 0.353377 0.930752 Zn\n0.652727 0.758654 0.364968 Zn\n0.347273 0.241346 0.864968 Zn\n0.758654 0.652727 0.635032 Zn\n0.241346 0.347273 0.135032 Zn\n0.347273 0.241346 0.635032 Zn\n0.652727 0.758654 0.135032 Zn\n0.241346 0.347273 0.364968 Zn\n0.758654 0.652727 0.864968 Zn\n0.477212 0.192067 0.250000 Zn\n0.522788 0.807933 0.750000 Zn\n0.192067 0.477212 0.750000 Zn\n0.807933 0.522788 0.250000 Zn\n0.175974 0.824026 0.859131 Zn\n0.824026 0.175974 0.359131 Zn\n0.824026 0.175974 0.140869 Zn\n0.175974 0.824026 0.640869 Zn\n0.620674 0.379326 0.469238 Zn\n0.379326 0.620674 0.969238 Zn\n0.379326 0.620674 0.530762 Zn\n0.620674 0.379326 0.030762 Zn\n0.288759 0.711241 0.250000 Zn\n0.711241 0.288759 0.750000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n","nsites":34,"nelements":2,"elements":["Ti","Zn"],"chemical_system":"Ti-Zn","density":7.014325195498221,"density_atomic":0.06561532299393392,"volume":518.1716472407409,"volume_molar":9.177948816249433,"formula_full":"Ti2 Zn32","formula_reduced":"TiZn16","formula_anonymous":"AB16","energy":-58.28922282,"energy_per_atom":-1.7143889064705882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.28922282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010675,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.792000Z","spacegroup":63},{"id":"mp-675156","created_at":"2022-09-04T14:46:34.959141Z","structure_string":"K15 N5 O5\n1.0\n5.218731 0.000000 0.000000\n0.000000 5.199099 0.000000\n0.000000 0.776631 25.786118\nK N O\n15 5 5\ndirect\n0.029465 0.004474 0.802121 K\n0.974422 0.000000 0.000000 K\n0.029465 0.995526 0.197879 K\n0.998471 0.994605 0.399234 K\n0.998471 0.005395 0.600766 K\n0.491403 0.467097 0.798874 K\n0.509913 0.500000 0.000000 K\n0.491403 0.532903 0.201126 K\n0.499072 0.494779 0.400256 K\n0.499072 0.505221 0.599744 K\n0.995997 0.442644 0.899987 K\n0.995997 0.557356 0.100013 K\n0.050956 0.486609 0.299340 K\n0.938563 0.500000 0.500000 K\n0.050956 0.513391 0.700660 K\n0.612165 0.000000 0.500000 N\n0.500743 0.115198 0.900128 N\n0.500743 0.884802 0.099872 N\n0.382198 0.986758 0.299707 N\n0.382198 0.013242 0.700293 N\n0.981124 0.514245 0.799978 O\n0.017417 0.500000 0.000000 O\n0.981124 0.485755 0.200022 O\n0.000006 0.495089 0.399523 O\n0.000006 0.504911 0.600477 O\n","nsites":25,"nelements":3,"elements":["K","N","O"],"chemical_system":"K-N-O","density":1.7480177261034717,"density_atomic":0.03573230596264817,"volume":699.6469812536895,"volume_molar":16.8534904136752,"formula_full":"K15 N5 O5","formula_reduced":"K3NO","formula_anonymous":"ABC3","energy":-88.06082341,"energy_per_atom":-3.5224329364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.82082341,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.999842,"is_theoretical":true,"updated_at":"2021-11-28T01:37:32.026000Z","spacegroup":3},{"id":"mp-1097184","created_at":"2022-09-04T14:46:35.500861Z","structure_string":"Ta1 Mn2 V1\n1.0\n-5.072119 5.125395 7.408453\n5.072119 -5.125395 7.408453\n5.072119 5.125395 -7.408453\nTa Mn V\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ta\n0.726884 0.000000 0.726884 Mn\n0.273116 0.000000 0.273116 Mn\n0.000000 0.000000 0.000000 V\n","nsites":4,"nelements":3,"elements":["Ta","Mn","V"],"chemical_system":"Mn-Ta-V","density":0.7366699981473097,"density_atomic":0.005192251193832003,"volume":770.3787530063441,"volume_molar":115.98323222793694,"formula_full":"Ta1 Mn2 V1","formula_reduced":"TaMn2V","formula_anonymous":"ABC2","energy":-23.96958878,"energy_per_atom":-5.992397195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.96958878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.1891915,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.890000Z","spacegroup":71},{"id":"mp-1068786","created_at":"2022-09-04T14:46:36.680597Z","structure_string":"In1 Co3 N1\n1.0\n3.852677 0.000000 0.000000\n0.000000 3.852677 0.000000\n0.000000 0.000000 3.852677\nIn Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["In","Co","N"],"chemical_system":"Co-In-N","density":8.874607555449444,"density_atomic":0.08743437372318959,"volume":57.18574728778421,"volume_molar":6.887612392656496,"formula_full":"In1 Co3 N1","formula_reduced":"InCo3N","formula_anonymous":"ABC3","energy":-32.99774041,"energy_per_atom":-6.599548082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.63674041,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9387266,"is_theoretical":false,"updated_at":"2021-11-28T01:37:38.607000Z","spacegroup":221}]}