{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=57","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=55","results":[{"id":"mp-22046","created_at":"2022-09-04T14:45:19.124824Z","structure_string":"B50\n1.0\n8.866250 0.000000 0.000000\n0.000000 8.866250 0.000000\n0.000000 0.000000 4.925572\nB\n50\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.628527 0.628527 0.392525 B\n0.128527 0.871473 0.892525 B\n0.871473 0.128527 0.892525 B\n0.371473 0.371473 0.392525 B\n0.371473 0.628527 0.607475 B\n0.628527 0.371473 0.607475 B\n0.128527 0.128527 0.107475 B\n0.871473 0.871473 0.107475 B\n0.745630 0.745630 0.573989 B\n0.245630 0.754370 0.073989 B\n0.754370 0.245630 0.073989 B\n0.254370 0.254370 0.573989 B\n0.254370 0.745630 0.426011 B\n0.745630 0.254370 0.426011 B\n0.245630 0.245630 0.926011 B\n0.754370 0.754370 0.926011 B\n0.585770 0.829762 0.405751 B\n0.329762 0.914230 0.905751 B\n0.670238 0.085770 0.905751 B\n0.414230 0.170238 0.405751 B\n0.414230 0.829762 0.594249 B\n0.585770 0.170238 0.594249 B\n0.329762 0.085770 0.094249 B\n0.670238 0.914230 0.094249 B\n0.914230 0.670238 0.094249 B\n0.170238 0.585770 0.594249 B\n0.829762 0.414230 0.594249 B\n0.085770 0.329762 0.094249 B\n0.085770 0.670238 0.905751 B\n0.914230 0.329762 0.905751 B\n0.170238 0.414230 0.405751 B\n0.829762 0.585770 0.405751 B\n0.582957 0.728505 0.087703 B\n0.228505 0.917043 0.587703 B\n0.771495 0.082957 0.587703 B\n0.417043 0.271495 0.087703 B\n0.417043 0.728505 0.912297 B\n0.582957 0.271495 0.912297 B\n0.228505 0.082957 0.412297 B\n0.771495 0.917043 0.412297 B\n0.917043 0.771495 0.412297 B\n0.271495 0.582957 0.912297 B\n0.728505 0.417043 0.912297 B\n0.082957 0.228505 0.412297 B\n0.082957 0.771495 0.587703 B\n0.917043 0.228505 0.587703 B\n0.271495 0.417043 0.087703 B\n0.728505 0.582957 0.087703 B\n","nsites":50,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.318186389316881,"density_atomic":0.12913185412271622,"volume":387.2011312753563,"volume_molar":4.663559429942868,"formula_full":"B50","formula_reduced":"B","formula_anonymous":"A","energy":-329.05199891,"energy_per_atom":-6.5810399782,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.05199891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0060458,"is_theoretical":false,"updated_at":"2021-11-28T01:37:04.699000Z","spacegroup":134},{"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-1271198","created_at":"2022-09-04T14:45:56.326871Z","structure_string":"Fe4\n1.0\n2.328461 -0.193624 -0.710011\n1.145816 1.988610 3.247448\n0.349508 -3.784728 2.192002\nFe\n4\ndirect\n0.375904 0.999967 0.466148 Fe\n0.374125 0.500032 0.783829 Fe\n0.875893 0.999966 0.966157 Fe\n0.874077 0.500035 0.283866 Fe\n","nsites":4,"nelements":1,"elements":["Fe"],"chemical_system":"Fe","density":8.705804454618942,"density_atomic":0.09388052622950695,"volume":42.607345321236465,"volume_molar":6.414685773360334,"formula_full":"Fe4","formula_reduced":"Fe","formula_anonymous":"A","energy":-33.6601167,"energy_per_atom":-8.415029175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.6601167,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.734000Z","spacegroup":63},{"id":"mp-1187812","created_at":"2022-09-04T14:40:10.626770Z","structure_string":"Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n","nsites":3,"nelements":1,"elements":["Zn"],"chemical_system":"Zn","density":7.2025879821277154,"density_atomic":0.06631350223921316,"volume":45.23965555578831,"volume_molar":9.08131912302911,"formula_full":"Zn3","formula_reduced":"Zn","formula_anonymous":"A","energy":-3.74668138,"energy_per_atom":-1.2488937933333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74668138,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.328000Z","spacegroup":166},{"id":"mp-611517","created_at":"2022-09-04T14:45:53.284052Z","structure_string":"Xe1\n1.0\n0.000000 3.330738 3.330738\n3.330738 0.000000 3.330738\n3.330738 3.330738 0.000000\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n","nsites":1,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.950117121282437,"density_atomic":0.013531582467449434,"volume":73.90118653199103,"volume_molar":44.504334762666616,"formula_full":"Xe1","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.03039347,"energy_per_atom":-0.03039347,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.03039347,"band_gap":6.2094,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.81e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.257000Z","spacegroup":225},{"id":"mp-1147718","created_at":"2022-09-04T14:46:27.669881Z","structure_string":"C120\n1.0\n9.186669 0.000000 0.000000\n0.000000 10.201967 0.000000\n0.000000 0.000000 14.648839\nC\n120\ndirect\n0.421129 0.162185 0.467487 C\n0.421129 0.837815 0.532513 C\n0.587740 0.939901 0.964512 C\n0.587740 0.060099 0.035488 C\n0.912260 0.439901 0.535488 C\n0.912260 0.560099 0.464512 C\n0.412260 0.060099 0.035488 C\n0.412260 0.939901 0.964512 C\n0.087740 0.560099 0.464512 C\n0.087740 0.439901 0.535488 C\n0.667710 0.966229 0.874788 C\n0.667710 0.033771 0.125212 C\n0.832290 0.466229 0.625212 C\n0.832290 0.533771 0.374788 C\n0.332290 0.033771 0.125212 C\n0.332290 0.966229 0.874788 C\n0.167710 0.533771 0.374788 C\n0.167710 0.466229 0.625212 C\n0.667469 0.816751 0.997059 C\n0.667469 0.183249 0.002941 C\n0.832531 0.316751 0.502941 C\n0.832531 0.683249 0.497059 C\n0.332531 0.183249 0.002941 C\n0.332531 0.816751 0.997059 C\n0.167469 0.683249 0.497059 C\n0.167469 0.316751 0.502941 C\n0.923763 0.218318 0.821094 C\n0.923763 0.781682 0.178906 C\n0.576237 0.718318 0.678906 C\n0.576237 0.281682 0.321094 C\n0.076237 0.781682 0.178906 C\n0.076237 0.218318 0.821094 C\n0.423763 0.281682 0.321094 C\n0.423763 0.718318 0.678906 C\n0.000000 0.783383 0.809367 C\n0.000000 0.216617 0.190633 C\n0.500000 0.283383 0.690633 C\n0.500000 0.716617 0.309367 C\n0.000000 0.694229 0.881886 C\n0.000000 0.305771 0.118114 C\n0.500000 0.194229 0.618114 C\n0.500000 0.805771 0.381886 C\n0.872854 0.863495 0.791602 C\n0.872854 0.136505 0.208398 C\n0.627146 0.363495 0.708398 C\n0.627146 0.636505 0.291602 C\n0.127146 0.136505 0.208398 C\n0.127146 0.863495 0.791602 C\n0.372854 0.636505 0.291602 C\n0.372854 0.363495 0.708398 C\n0.872610 0.681907 0.939715 C\n0.872610 0.318093 0.060285 C\n0.627390 0.181907 0.560285 C\n0.627390 0.818093 0.439715 C\n0.127390 0.318093 0.060285 C\n0.127390 0.681907 0.939715 C\n0.372610 0.818093 0.439715 C\n0.372610 0.181907 0.560285 C\n0.844840 0.102443 0.792038 C\n0.844840 0.897557 0.207962 C\n0.655160 0.602443 0.707962 C\n0.655160 0.397557 0.292038 C\n0.155160 0.897557 0.207962 C\n0.155160 0.102443 0.792038 C\n0.344840 0.397557 0.292038 C\n0.344840 0.602443 0.707962 C\n0.844813 0.721736 0.104063 C\n0.844813 0.278264 0.895937 C\n0.655187 0.221736 0.395937 C\n0.655187 0.778264 0.604063 C\n0.155187 0.278264 0.895937 C\n0.155187 0.721736 0.104063 C\n0.344813 0.778264 0.604063 C\n0.344813 0.221736 0.395937 C\n0.716829 0.089309 0.848868 C\n0.716829 0.910691 0.151132 C\n0.783171 0.589309 0.651132 C\n0.783171 0.410691 0.348868 C\n0.283171 0.910691 0.151132 C\n0.283171 0.089309 0.848868 C\n0.216829 0.410691 0.348868 C\n0.216829 0.589309 0.651132 C\n0.716703 0.800048 0.085850 C\n0.716703 0.199952 0.914150 C\n0.783297 0.300048 0.414150 C\n0.783297 0.699952 0.585850 C\n0.283297 0.199952 0.914150 C\n0.283297 0.800048 0.085850 C\n0.216703 0.699952 0.585850 C\n0.216703 0.300048 0.414150 C\n0.750167 0.853001 0.848119 C\n0.750167 0.146999 0.151881 C\n0.749833 0.353001 0.651881 C\n0.749833 0.646999 0.348119 C\n0.249833 0.146999 0.151881 C\n0.249833 0.853001 0.848119 C\n0.250167 0.646999 0.348119 C\n0.250167 0.353001 0.651881 C\n0.749888 0.760422 0.923474 C\n0.749888 0.239578 0.076526 C\n0.750112 0.260422 0.576526 C\n0.750112 0.739578 0.423474 C\n0.250112 0.239578 0.076526 C\n0.250112 0.760422 0.923474 C\n0.249888 0.739578 0.423474 C\n0.249888 0.260422 0.576526 C\n0.921080 0.991483 0.762534 C\n0.921080 0.008517 0.237466 C\n0.578920 0.491483 0.737466 C\n0.578920 0.508517 0.262534 C\n0.078920 0.008517 0.237466 C\n0.078920 0.991483 0.762534 C\n0.421080 0.508517 0.262534 C\n0.421080 0.491483 0.737466 C\n0.921129 0.662185 0.032513 C\n0.921129 0.337815 0.967487 C\n0.578871 0.162185 0.467487 C\n0.578871 0.837815 0.532513 C\n0.078871 0.337815 0.967487 C\n0.078871 0.662185 0.032513 C\n","nsites":120,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.74322511337822,"density_atomic":0.0874049556874992,"volume":1372.9198654254635,"volume_molar":6.889930568160333,"formula_full":"C120","formula_reduced":"C","formula_anonymous":"A","energy":-1060.79670803,"energy_per_atom":-8.839972566916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1060.79670803,"band_gap":0.9669,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.379000Z","spacegroup":58},{"id":"mp-632286","created_at":"2022-09-04T14:48:23.896242Z","structure_string":"Sb2\n1.0\n4.343764 0.000000 0.000000\n0.000000 3.164641 0.000000\n0.000000 0.127652 4.405890\nSb\n2\ndirect\n0.750000 0.043352 0.763535 Sb\n0.250000 0.956648 0.236465 Sb\n","nsites":2,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":6.676662298315999,"density_atomic":0.033022174918970935,"volume":60.56536266637659,"volume_molar":18.236656957868437,"formula_full":"Sb2","formula_reduced":"Sb","formula_anonymous":"A","energy":-8.14023186,"energy_per_atom":-4.07011593,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.14023186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003521,"is_theoretical":true,"updated_at":"2021-11-28T01:38:55.648000Z","spacegroup":11},{"id":"mp-998883","created_at":"2022-09-04T14:46:38.095288Z","structure_string":"Ge1\n1.0\n-1.696005 1.696005 1.696005\n1.696005 -1.696005 1.696005\n1.696005 1.696005 -1.696005\nGe\n1\ndirect\n0.000000 0.000000 0.000000 Ge\n","nsites":1,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.181353159225227,"density_atomic":0.05124584089343222,"volume":19.5137787294688,"volume_molar":11.75147222683551,"formula_full":"Ge1","formula_reduced":"Ge","formula_anonymous":"A","energy":-4.28353805,"energy_per_atom":-4.28353805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.28353805,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.72e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.813000Z","spacegroup":229},{"id":"mp-1202723","created_at":"2022-09-04T14:46:27.254364Z","structure_string":"B12\n1.0\n0.000000 3.704281 3.704281\n3.704281 0.000000 3.704281\n3.704281 3.704281 0.000000\nB\n12\ndirect\n0.500000 0.500000 0.838175 B\n0.838175 0.161825 0.500000 B\n0.500000 0.500000 0.161825 B\n0.161825 0.838175 0.500000 B\n0.838175 0.500000 0.500000 B\n0.500000 0.838175 0.161825 B\n0.161825 0.500000 0.500000 B\n0.500000 0.161825 0.838175 B\n0.500000 0.838175 0.500000 B\n0.161825 0.500000 0.838175 B\n0.500000 0.161825 0.500000 B\n0.838175 0.500000 0.161825 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.1191145971533185,"density_atomic":0.11804279340521799,"volume":101.65804835544962,"volume_molar":5.101658971528368,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","energy":-76.29553201,"energy_per_atom":-6.357961000833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.29553201,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001184,"is_theoretical":true,"updated_at":"2021-11-28T01:37:41.762000Z","spacegroup":225},{"id":"mp-1191484","created_at":"2022-09-04T14:39:29.957704Z","structure_string":"Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n","nsites":22,"nelements":1,"elements":["Mn"],"chemical_system":"Mn","density":5.789877363368063,"density_atomic":0.06346686795532967,"volume":346.6375560786206,"volume_molar":9.488637070035667,"formula_full":"Mn22","formula_reduced":"Mn","formula_anonymous":"A","energy":-183.81946655,"energy_per_atom":-8.355430297727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.81946655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9884061,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.072000Z","spacegroup":216},{"id":"mp-44","created_at":"2022-09-04T14:41:52.105492Z","structure_string":"U2\n1.0\n1.404314 -2.898772 0.000000\n1.404314 2.898772 0.000000\n0.000000 0.000000 4.909646\nU\n2\ndirect\n0.900983 0.099017 0.250000 U\n0.099017 0.900983 0.750000 U\n","nsites":2,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.776541402477005,"density_atomic":0.050034727341666925,"volume":39.97223740908606,"volume_molar":12.035922008482698,"formula_full":"U2","formula_reduced":"U","formula_anonymous":"A","energy":-22.58282002,"energy_per_atom":-11.29141001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.58282002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002211,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.361000Z","spacegroup":63},{"id":"mp-1094073","created_at":"2022-09-04T14:46:59.645000Z","structure_string":"S4\n1.0\n4.241282 0.000000 0.000000\n0.000000 4.008472 0.000000\n0.000000 0.090296 6.129514\nS\n4\ndirect\n0.669086 0.283853 0.758376 S\n0.830914 0.783853 0.758376 S\n0.169086 0.216147 0.241624 S\n0.330914 0.716147 0.241624 S\n","nsites":4,"nelements":1,"elements":["S"],"chemical_system":"S","density":2.043799497537599,"density_atomic":0.03838468193869357,"volume":104.20823614973897,"volume_molar":15.688916661126214,"formula_full":"S4","formula_reduced":"S","formula_anonymous":"A","energy":-14.2623216,"energy_per_atom":-3.5655804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.2623216,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.946000Z","spacegroup":14}]}