{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=46","results":[{"id":"mp-146","created_at":"2022-09-04T14:46:42.215982Z","structure_string":"V1\n1.0\n-1.496272 1.496272 1.496272\n1.496272 -1.496272 1.496272\n1.496272 1.496272 -1.496272\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n","nsites":1,"nelements":1,"elements":["V"],"chemical_system":"V","density":6.312904042916114,"density_atomic":0.07462912706526477,"volume":13.399593956465264,"volume_molar":8.069424093267912,"formula_full":"V1","formula_reduced":"V","formula_anonymous":"A","energy":-9.08390607,"energy_per_atom":-9.08390607,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.08390607,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0135813,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.718000Z","spacegroup":229},{"id":"mp-1066989","created_at":"2022-09-04T14:48:05.537059Z","structure_string":"H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.2170027119837974,"density_atomic":0.12965264572492172,"volume":15.425832529814404,"volume_molar":4.644826741736463,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-6.68052013,"energy_per_atom":-3.340260065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.68052013,"band_gap":6.2332,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.242000Z","spacegroup":65},{"id":"mp-1245190","created_at":"2022-09-04T14:39:33.825755Z","structure_string":"C100\n1.0\n10.200650 0.029229 -0.313752\n0.036144 10.418864 -0.129847\n-0.316005 -0.118581 10.532437\nC\n100\ndirect\n0.020024 0.729011 0.744819 C\n0.955536 0.667969 0.645795 C\n0.376616 0.463696 0.726293 C\n0.749409 0.289837 0.867570 C\n0.889802 0.700264 0.956755 C\n0.261149 0.979015 0.626477 C\n0.798091 0.350518 0.431571 C\n0.188686 0.204063 0.873386 C\n0.208484 0.715592 0.105892 C\n0.212851 0.902976 0.256220 C\n0.921236 0.218827 0.599467 C\n0.878308 0.340109 0.553135 C\n0.427934 0.993404 0.446310 C\n0.506316 0.083809 0.382983 C\n0.428863 0.442597 0.861239 C\n0.124388 0.604102 0.909065 C\n0.842864 0.878269 0.279866 C\n0.021187 0.053337 0.203870 C\n0.397207 0.989708 0.574202 C\n0.907903 0.951094 0.772455 C\n0.099002 0.843259 0.714381 C\n0.463010 0.791153 0.774770 C\n0.553394 0.332034 0.645109 C\n0.449876 0.878272 0.008180 C\n0.252522 0.504575 0.727198 C\n0.866657 0.617771 0.192624 C\n0.226071 0.299468 0.341779 C\n0.894511 0.383818 0.312444 C\n0.095922 0.973190 0.311072 C\n0.149650 0.026923 0.539950 C\n0.076216 0.000584 0.086637 C\n0.828917 0.987989 0.348545 C\n0.664153 0.816553 0.928863 C\n0.515837 0.558031 0.170656 C\n0.084888 0.829431 0.948298 C\n0.023434 0.709665 0.888420 C\n0.022456 0.020190 0.575097 C\n0.656889 0.232982 0.803682 C\n0.525916 0.522379 0.911252 C\n0.333594 0.845022 0.949092 C\n0.230591 0.873260 0.715343 C\n0.860512 0.473171 0.995017 C\n0.862426 0.568509 0.429327 C\n0.573739 0.874834 0.000624 C\n0.172618 0.543938 0.808436 C\n0.588130 0.201481 0.397481 C\n0.173914 0.061300 0.404197 C\n0.142572 0.653908 0.302435 C\n0.962101 0.397580 0.646238 C\n0.252282 0.362726 0.007690 C\n0.373159 0.071602 0.672175 C\n0.822602 0.372199 0.934757 C\n0.741807 0.484255 0.425142 C\n0.240462 0.481837 0.086142 C\n0.817222 0.752518 0.234674 C\n0.425199 0.487567 0.247246 C\n0.915696 0.107737 0.527964 C\n0.190255 0.595154 0.038172 C\n0.000010 0.947831 0.685776 C\n0.026702 0.185238 0.259851 C\n0.326035 0.231347 0.842111 C\n0.623126 0.513371 0.364341 C\n0.578927 0.748709 0.827384 C\n0.304545 0.002514 0.351650 C\n0.341017 0.826732 0.803795 C\n0.874897 0.592431 0.047655 C\n0.295363 0.472900 0.217151 C\n0.351812 0.345081 0.917484 C\n0.947126 0.285599 0.257792 C\n0.954957 0.962380 0.284901 C\n0.212668 0.830939 0.024023 C\n0.489103 0.304308 0.369415 C\n0.162753 0.260715 0.998268 C\n0.808728 0.805813 0.933949 C\n0.910790 0.627848 0.536163 C\n0.201837 0.748397 0.238628 C\n0.539621 0.234169 0.731678 C\n0.812264 0.100367 0.429844 C\n0.614964 0.601125 0.256688 C\n0.508390 0.433268 0.348954 C\n0.091288 0.534434 0.308311 C\n0.493543 0.452080 0.652325 C\n0.384305 0.116367 0.316443 C\n0.581418 0.246145 0.093955 C\n0.934991 0.527077 0.306514 C\n0.092718 0.220876 0.784862 C\n0.544513 0.493541 0.047463 C\n0.408097 0.174299 0.752912 C\n0.008185 0.270472 0.702622 C\n0.723823 0.213880 0.414181 C\n0.571556 0.553983 0.694617 C\n0.193639 0.427869 0.297721 C\n0.139087 0.195428 0.351952 C\n0.579908 0.607599 0.812874 C\n0.361055 0.247646 0.335424 C\n0.192723 0.938248 0.117528 C\n0.011778 0.935485 0.974420 C\n0.886738 0.920189 0.891818 C\n0.560577 0.364485 0.070283 C\n0.730879 0.660572 0.225830 C\n","nsites":100,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.7836335358794422,"density_atomic":0.08943102584390977,"volume":1118.1801735623271,"volume_molar":6.733838400233564,"formula_full":"C100","formula_reduced":"C","formula_anonymous":"A","energy":-821.37190889,"energy_per_atom":-8.2137190889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-821.37190889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1176063,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.199000Z","spacegroup":1},{"id":"mp-1078638","created_at":"2022-09-04T14:40:12.858396Z","structure_string":"Ca8\n1.0\n4.561378 0.000000 0.000000\n0.000000 4.561378 0.000000\n0.000000 0.000000 16.031352\nCa\n8\ndirect\n0.007130 0.483393 0.687587 Ca\n0.992870 0.516607 0.187587 Ca\n0.983393 0.492870 0.437587 Ca\n0.016607 0.507130 0.937587 Ca\n0.516607 0.992870 0.812413 Ca\n0.483393 0.007130 0.312413 Ca\n0.492870 0.983393 0.562413 Ca\n0.507130 0.016607 0.062413 Ca\n","nsites":8,"nelements":1,"elements":["Ca"],"chemical_system":"Ca","density":1.5961836142621397,"density_atomic":0.02398433656173962,"volume":333.55102316074857,"volume_molar":25.1086401514506,"formula_full":"Ca8","formula_reduced":"Ca","formula_anonymous":"A","energy":-15.89158303,"energy_per_atom":-1.98644787875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.89158303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0661757,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.890000Z","spacegroup":92},{"id":"mp-623511","created_at":"2022-09-04T14:40:56.831383Z","structure_string":"Sn1\n1.0\n-2.338342 -1.726539 1.775547\n-2.338342 1.726539 -1.775547\n2.338342 -1.726539 -1.775547\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n","nsites":1,"nelements":1,"elements":["Sn"],"chemical_system":"Sn","density":6.87479599169771,"density_atomic":0.03487573849936375,"volume":28.673227952384245,"volume_molar":17.26742147728245,"formula_full":"Sn1","formula_reduced":"Sn","formula_anonymous":"A","energy":-3.94816485,"energy_per_atom":-3.94816485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.94816485,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007173,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.372000Z","spacegroup":139},{"id":"mp-10157","created_at":"2022-09-04T14:41:13.641272Z","structure_string":"K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n","nsites":1,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8808036242463018,"density_atomic":0.013566634377869216,"volume":73.71024914117724,"volume_molar":44.38934957828385,"formula_full":"K1","formula_reduced":"K","formula_anonymous":"A","energy":-1.09807417,"energy_per_atom":-1.09807417,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.09807417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009049,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.917000Z","spacegroup":225},{"id":"mp-1008669","created_at":"2022-09-04T14:42:04.436755Z","structure_string":"U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n","nsites":1,"nelements":1,"elements":["U"],"chemical_system":"U","density":18.159589588452988,"density_atomic":0.04594383290806428,"volume":21.76570687955108,"volume_molar":13.107615056955694,"formula_full":"U1","formula_reduced":"U","formula_anonymous":"A","energy":-10.91983266,"energy_per_atom":-10.91983266,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.91983266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0970341,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.974000Z","spacegroup":225},{"id":"mp-1184502","created_at":"2022-09-04T14:42:39.769064Z","structure_string":"In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n","nsites":3,"nelements":1,"elements":["In"],"chemical_system":"In","density":7.020315339450969,"density_atomic":0.03682116668847311,"volume":81.47487626835985,"volume_molar":16.355105776388218,"formula_full":"In3","formula_reduced":"In","formula_anonymous":"A","energy":-8.25505119,"energy_per_atom":-2.75168373,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.25505119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.011167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.063000Z","spacegroup":166},{"id":"mp-568610","created_at":"2022-09-04T14:43:08.370312Z","structure_string":"Bi1\n1.0\n-1.993848 1.993848 1.993848\n1.993848 -1.993848 1.993848\n1.993848 1.993848 -1.993848\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n","nsites":1,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":10.945069438495326,"density_atomic":0.03154015822027858,"volume":31.70561139915447,"volume_molar":19.093565472756875,"formula_full":"Bi1","formula_reduced":"Bi","formula_anonymous":"A","energy":-3.75067891,"energy_per_atom":-3.75067891,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.75067891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.64e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:16.241000Z","spacegroup":229},{"id":"mp-667273","created_at":"2022-09-04T14:43:49.709357Z","structure_string":"C60\n1.0\n0.000000 7.011748 7.011748\n7.011748 0.000000 7.011748\n7.011748 7.011748 0.000000\nC\n60\ndirect\n0.426958 0.202157 0.901457 C\n0.098543 0.530572 0.573042 C\n0.901618 0.265831 0.301438 C\n0.202157 0.901457 0.426958 C\n0.573042 0.530572 0.797843 C\n0.734169 0.098382 0.468887 C\n0.901457 0.426958 0.202157 C\n0.698562 0.098382 0.734169 C\n0.699002 0.200941 0.799059 C\n0.468887 0.098382 0.698562 C\n0.797843 0.530572 0.098543 C\n0.531113 0.901618 0.301438 C\n0.799059 0.200941 0.300998 C\n0.530572 0.573042 0.098543 C\n0.469428 0.202157 0.426958 C\n0.098543 0.573042 0.797843 C\n0.468887 0.734169 0.098382 C\n0.426958 0.901457 0.469428 C\n0.573042 0.098543 0.530572 C\n0.530572 0.098543 0.797843 C\n0.301438 0.265831 0.531113 C\n0.098543 0.797843 0.530572 C\n0.200941 0.799059 0.699002 C\n0.098382 0.468887 0.734169 C\n0.265831 0.901618 0.531113 C\n0.202157 0.469428 0.901457 C\n0.901457 0.469428 0.426958 C\n0.300998 0.799059 0.200941 C\n0.301438 0.901618 0.265831 C\n0.530572 0.797843 0.573042 C\n0.265831 0.531113 0.301438 C\n0.301438 0.531113 0.901618 C\n0.098382 0.698562 0.468887 C\n0.200941 0.699002 0.300998 C\n0.468887 0.698562 0.734169 C\n0.573042 0.797843 0.098543 C\n0.300998 0.200941 0.699002 C\n0.531113 0.265831 0.901618 C\n0.734169 0.468887 0.698562 C\n0.265831 0.301438 0.901618 C\n0.202157 0.426958 0.469428 C\n0.901618 0.301438 0.531113 C\n0.799059 0.300998 0.699002 C\n0.698562 0.468887 0.098382 C\n0.300998 0.699002 0.799059 C\n0.734169 0.698562 0.098382 C\n0.901457 0.202157 0.469428 C\n0.469428 0.426958 0.901457 C\n0.698562 0.734169 0.468887 C\n0.699002 0.300998 0.200941 C\n0.799059 0.699002 0.200941 C\n0.797843 0.573042 0.530572 C\n0.797843 0.098543 0.573042 C\n0.531113 0.301438 0.265831 C\n0.901618 0.531113 0.265831 C\n0.426958 0.469428 0.202157 C\n0.098382 0.734169 0.698562 C\n0.699002 0.799059 0.300998 C\n0.469428 0.901457 0.202157 C\n0.200941 0.300998 0.799059 C\n","nsites":60,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.735640492677213,"density_atomic":0.08702466433488479,"volume":689.4597118939802,"volume_molar":6.920039055624326,"formula_full":"C60","formula_reduced":"C","formula_anonymous":"A","energy":-530.27934925,"energy_per_atom":-8.837989154166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-530.27934925,"band_gap":1.0093,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014353,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.488000Z","spacegroup":202},{"id":"mp-1056376","created_at":"2022-09-04T14:44:18.360723Z","structure_string":"Zr1\n1.0\n1.505662 -2.607883 0.000000\n1.505662 2.607883 0.000000\n0.000000 0.000000 3.037038\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n","nsites":1,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.35129659555715,"density_atomic":0.04192800372727767,"volume":23.850408106823757,"volume_molar":14.363051480273777,"formula_full":"Zr1","formula_reduced":"Zr","formula_anonymous":"A","energy":-8.18592099,"energy_per_atom":-8.18592099,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.18592099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00604,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.285000Z","spacegroup":191},{"id":"mp-1102666","created_at":"2022-09-04T14:39:09.732781Z","structure_string":"Pb12\n1.0\n0.000000 0.000000 7.691092\n7.273267 0.000000 0.000000\n0.000000 7.273267 0.000000\nPb\n12\ndirect\n0.750000 0.341156 0.342564 Pb\n0.750000 0.158844 0.842564 Pb\n0.750000 0.658844 0.657436 Pb\n0.750000 0.841156 0.157436 Pb\n0.250000 0.657436 0.341156 Pb\n0.250000 0.842564 0.841156 Pb\n0.250000 0.342564 0.658844 Pb\n0.250000 0.157436 0.158844 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n","nsites":12,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":10.14782634610308,"density_atomic":0.029494034114569554,"volume":406.8619420926282,"volume_molar":20.418165709739803,"formula_full":"Pb12","formula_reduced":"Pb","formula_anonymous":"A","energy":-43.16065786,"energy_per_atom":-3.5967214883333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.16065786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.797000Z","spacegroup":140}]}