{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=64","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=62","results":[{"id":"mp-567313","created_at":"2022-09-04T14:43:00.719219Z","structure_string":"Te3\n1.0\n2.253370 -3.902951 0.000000\n2.253370 3.902951 0.000000\n0.000000 0.000000 5.962127\nTe\n3\ndirect\n0.000000 0.269108 0.333333 Te\n0.269108 0.000000 0.666667 Te\n0.730892 0.730892 0.000000 Te\n","nsites":3,"nelements":1,"elements":["Te"],"chemical_system":"Te","density":6.0612779692512415,"density_atomic":0.02860648050856755,"volume":104.87134197097436,"volume_molar":21.051666101310115,"formula_full":"Te3","formula_reduced":"Te","formula_anonymous":"A","energy":-9.42984729,"energy_per_atom":-3.1432824299999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.42984729,"band_gap":0.5124000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.31e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.070000Z","spacegroup":154},{"id":"mp-104","created_at":"2022-09-04T14:41:55.784372Z","structure_string":"Sb2\n1.0\n4.060155 -2.192977 0.000000\n4.060155 2.192977 0.000000\n2.875681 0.000000 3.608942\nSb\n2\ndirect\n0.731830 0.731830 0.731830 Sb\n0.268170 0.268170 0.268170 Sb\n","nsites":2,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":6.292122136443163,"density_atomic":0.03112027365133651,"volume":64.26678706002018,"volume_molar":19.351181893419405,"formula_full":"Sb2","formula_reduced":"Sb","formula_anonymous":"A","energy":-8.25800248,"energy_per_atom":-4.12900124,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.25800248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009531,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.169000Z","spacegroup":166},{"id":"mp-1244913","created_at":"2022-09-04T14:45:59.057073Z","structure_string":"C100\n1.0\n10.676986 0.014026 0.303512\n0.019613 10.737367 -0.470846\n0.291581 -0.474653 10.412325\nC\n100\ndirect\n0.702196 0.589171 0.071799 C\n0.767460 0.916671 0.898162 C\n0.520835 0.607691 0.769295 C\n0.019672 0.660022 0.221917 C\n0.020399 0.516714 0.543864 C\n0.113525 0.533171 0.448133 C\n0.782043 0.427325 0.361170 C\n0.115028 0.084909 0.851911 C\n0.354379 0.273765 0.687861 C\n0.132614 0.971385 0.829185 C\n0.406379 0.565725 0.850047 C\n0.019124 0.415868 0.752921 C\n0.363863 0.608332 0.080727 C\n0.459395 0.046887 0.505807 C\n0.761800 0.039833 0.868420 C\n0.720527 0.335708 0.288976 C\n0.144283 0.746557 0.048066 C\n0.231102 0.803948 0.958270 C\n0.090123 0.504040 0.670205 C\n0.109082 0.976179 0.109517 C\n0.228348 0.682134 0.655826 C\n0.776488 0.363297 0.785772 C\n0.704988 0.255703 0.793188 C\n0.407010 0.191962 0.218213 C\n0.023347 0.198019 0.646223 C\n0.941611 0.704037 0.874220 C\n0.896316 0.498837 0.349688 C\n0.192781 0.284141 0.938651 C\n0.756674 0.875431 0.019570 C\n0.550538 0.519124 0.443429 C\n0.450755 0.461534 0.378664 C\n0.525067 0.605205 0.922271 C\n0.284761 0.292367 0.037738 C\n0.063088 0.730336 0.813732 C\n0.574442 0.559883 0.045293 C\n0.968674 0.778148 0.267151 C\n0.737162 0.805727 0.109162 C\n0.751657 0.141844 0.826556 C\n0.472656 0.983724 0.114346 C\n0.962259 0.560402 0.266078 C\n0.789564 0.034574 0.372854 C\n0.654077 0.682368 0.293993 C\n0.466985 0.552495 0.135016 C\n0.755028 0.813055 0.794913 C\n0.579404 0.017218 0.471965 C\n0.401806 0.666516 0.963094 C\n0.275346 0.349313 0.518641 C\n0.913846 0.651910 0.985793 C\n0.635985 0.492516 0.553664 C\n0.199760 0.527896 0.365559 C\n0.108182 0.869395 0.021982 C\n0.939502 0.884087 0.309842 C\n0.368163 0.353917 0.416223 C\n0.018993 0.080499 0.416608 C\n0.109817 0.216517 0.862195 C\n0.396255 0.227580 0.358511 C\n0.273517 0.387862 0.946048 C\n0.820053 0.703694 0.814604 C\n0.901165 0.505001 0.496537 C\n0.251919 0.048946 0.415122 C\n0.283639 0.536313 0.262050 C\n0.137675 0.663713 0.138711 C\n0.703616 0.701294 0.170024 C\n0.265949 0.929588 0.440660 C\n0.323806 0.457774 0.849778 C\n0.274159 0.749123 0.575097 C\n0.011798 0.139049 0.542033 C\n0.576433 0.253511 0.770274 C\n0.546320 0.854739 0.653403 C\n0.770642 0.578463 0.843555 C\n0.607565 0.120605 0.270629 C\n0.500492 0.087578 0.191358 C\n0.659725 0.238556 0.269489 C\n0.029653 0.275797 0.765844 C\n0.540372 0.735210 0.713873 C\n0.644697 0.808339 0.724191 C\n0.123416 0.642078 0.727267 C\n0.288928 0.828643 0.486564 C\n0.134283 0.069764 0.346157 C\n0.131731 0.028124 0.215355 C\n0.251537 0.599181 0.153239 C\n0.801719 0.583104 0.978278 C\n0.413939 0.509333 0.257974 C\n0.314289 0.231490 0.567700 C\n0.763894 0.464518 0.496066 C\n0.425420 0.896895 0.042948 C\n0.617128 0.517543 0.687098 C\n0.604545 0.614347 0.371356 C\n0.130259 0.847649 0.872974 C\n0.521673 0.950100 0.573167 C\n0.666535 0.046951 0.368625 C\n0.223736 0.435823 0.630170 C\n0.912256 0.362978 0.790000 C\n0.358421 0.134665 0.462494 C\n0.717815 0.484191 0.768747 C\n0.365410 0.804249 0.975335 C\n0.343075 0.245537 0.130130 C\n0.295243 0.397716 0.724953 C\n0.467012 0.243549 0.740035 C\n0.910627 0.007101 0.364217 C\n","nsites":100,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.6754889811328937,"density_atomic":0.08400867967477474,"volume":1190.3531919217505,"volume_molar":7.168474475868077,"formula_full":"C100","formula_reduced":"C","formula_anonymous":"A","energy":-823.44125448,"energy_per_atom":-8.2344125448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-823.44125448,"band_gap":0.1060000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.0000505,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.352000Z","spacegroup":1},{"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-1095086","created_at":"2022-09-04T14:40:20.924558Z","structure_string":"Ta8\n1.0\n2.499592 -4.329421 0.000000\n2.499592 4.329421 0.000000\n0.000000 0.000000 8.617530\nTa\n8\ndirect\n0.000000 0.324161 0.000000 Ta\n0.324161 0.000000 0.000000 Ta\n0.675839 0.675839 0.000000 Ta\n0.000000 0.675839 0.500000 Ta\n0.675839 0.000000 0.500000 Ta\n0.324161 0.324161 0.500000 Ta\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n","nsites":8,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":12.887860858494893,"density_atomic":0.042892192056614264,"volume":186.51413267572428,"volume_molar":14.04017950878159,"formula_full":"Ta8","formula_reduced":"Ta","formula_anonymous":"A","energy":-84.22770651,"energy_per_atom":-10.52846331375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.22770651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.367000Z","spacegroup":182},{"id":"mp-1067758","created_at":"2022-09-04T14:39:46.874350Z","structure_string":"Bi4\n1.0\n4.577571 0.000000 0.000000\n0.000000 4.613294 0.000000\n0.000000 1.512012 6.642218\nBi\n4\ndirect\n0.250000 0.855686 0.214821 Bi\n0.750000 0.144314 0.785179 Bi\n0.250000 0.677167 0.682104 Bi\n0.750000 0.322833 0.317896 Bi\n","nsites":4,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":9.895899999797473,"density_atomic":0.02851679045798503,"volume":140.26823971980178,"volume_molar":21.117877093751737,"formula_full":"Bi4","formula_reduced":"Bi","formula_anonymous":"A","energy":-15.21669958,"energy_per_atom":-3.804174895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.21669958,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001712,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.940000Z","spacegroup":11},{"id":"mp-1080043","created_at":"2022-09-04T14:48:03.619925Z","structure_string":"K8\n1.0\n5.431928 0.000000 0.000000\n0.000000 10.817241 0.000000\n0.000000 0.000000 10.921951\nK\n8\ndirect\n0.250000 0.029858 0.838722 K\n0.250000 0.529858 0.661278 K\n0.750000 0.970142 0.161278 K\n0.750000 0.470142 0.338722 K\n0.250000 0.153668 0.432354 K\n0.250000 0.653668 0.067646 K\n0.750000 0.846332 0.567646 K\n0.750000 0.346332 0.932354 K\n","nsites":8,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8093310919806709,"density_atomic":0.012465774110476478,"volume":641.7571768187781,"volume_molar":48.30940065678613,"formula_full":"K8","formula_reduced":"K","formula_anonymous":"A","energy":-8.37420842,"energy_per_atom":-1.0467760525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.37420842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025668,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.628000Z","spacegroup":62},{"id":"mp-1176403","created_at":"2022-09-04T14:41:59.911255Z","structure_string":"N4\n1.0\n2.174460 0.000000 0.000000\n0.000000 3.349316 0.000000\n0.000000 0.000000 7.727432\nN\n4\ndirect\n0.519546 0.856495 0.750000 N\n0.019546 0.643505 0.750000 N\n0.980454 0.356495 0.250000 N\n0.480454 0.143505 0.250000 N\n","nsites":4,"nelements":1,"elements":["N"],"chemical_system":"N","density":1.6531116117352054,"density_atomic":0.07107506280066113,"volume":56.27852923912988,"volume_molar":8.472930621095397,"formula_full":"N4","formula_reduced":"N","formula_anonymous":"A","energy":-29.19879891,"energy_per_atom":-7.2996997275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.19879891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0071702,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.644000Z","spacegroup":62},{"id":"mp-1057139","created_at":"2022-09-04T14:45:10.298231Z","structure_string":"Mn2\n1.0\n-2.181046 2.181046 1.252428\n2.181046 -2.181046 1.252428\n2.181046 2.181046 -1.252428\nMn\n2\ndirect\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n","nsites":2,"nelements":1,"elements":["Mn"],"chemical_system":"Mn","density":7.656140303944365,"density_atomic":0.0839242725229766,"volume":23.831007882164773,"volume_molar":7.175684195953288,"formula_full":"Mn2","formula_reduced":"Mn","formula_anonymous":"A","energy":-17.00899084,"energy_per_atom":-8.50449542,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.00899084,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.184898,"is_theoretical":false,"updated_at":"2021-11-28T01:36:49.730000Z","spacegroup":141},{"id":"mp-971661","created_at":"2022-09-04T14:41:59.933464Z","structure_string":"Si23\n1.0\n-5.050750 5.050750 5.050750\n5.050750 -5.050750 5.050750\n5.050750 5.050750 -5.050750\nSi\n23\ndirect\n0.830940 0.558540 0.558540 Si\n0.169060 0.727600 0.727600 Si\n0.000000 0.441460 0.272400 Si\n0.558540 0.558540 0.830940 Si\n0.000000 0.272400 0.441460 Si\n0.727600 0.727600 0.169060 Si\n0.441460 0.272400 0.000000 Si\n0.272400 0.441460 0.000000 Si\n0.558540 0.830940 0.558540 Si\n0.272400 0.000000 0.441460 Si\n0.441460 0.000000 0.272400 Si\n0.727600 0.169060 0.727600 Si\n0.000000 0.000000 0.000000 Si\n0.728740 0.728740 0.728740 Si\n0.271260 0.000000 0.000000 Si\n0.000000 0.271260 0.000000 Si\n0.000000 0.000000 0.271260 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.750000 0.500000 0.250000 Si\n0.250000 0.500000 0.750000 Si\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n","nsites":23,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.081284666045754,"density_atomic":0.04462726041868057,"volume":515.3800565891875,"volume_molar":13.494309763812401,"formula_full":"Si23","formula_reduced":"Si","formula_anonymous":"A","energy":-122.90457683,"energy_per_atom":-5.343677253478261,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.90457683,"band_gap":1.3309000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003236,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.090000Z","spacegroup":217},{"id":"mp-1179802","created_at":"2022-09-04T14:46:11.351041Z","structure_string":"Rb8\n1.0\n8.978624 0.000000 0.000000\n-0.417011 9.410338 0.000000\n-4.078497 -2.329584 8.811433\nRb\n8\ndirect\n0.388715 0.794630 0.234057 Rb\n0.974850 0.820843 0.782301 Rb\n0.894549 0.599739 0.269305 Rb\n0.780495 0.299401 0.750595 Rb\n0.273446 0.288511 0.733440 Rb\n0.453472 0.782270 0.726238 Rb\n0.849128 0.088731 0.229780 Rb\n0.364381 0.302596 0.249545 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.5250358697239768,"density_atomic":0.010745544725265654,"volume":744.4945979508938,"volume_molar":56.04314079899862,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.41507832,"energy_per_atom":-0.92688479,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.41507832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0050905,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.537000Z","spacegroup":1},{"id":"mp-567597","created_at":"2022-09-04T14:39:58.656232Z","structure_string":"Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n","nsites":1,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":9.853005953205109,"density_atomic":0.028393183657330765,"volume":35.21972076357181,"volume_molar":21.20981159661241,"formula_full":"Bi1","formula_reduced":"Bi","formula_anonymous":"A","energy":-3.84048913,"energy_per_atom":-3.84048913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.84048913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000492,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.383000Z","spacegroup":221}]}