{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=59","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=57","results":[{"id":"mp-1041914","created_at":"2022-09-04T14:40:03.884003Z","structure_string":"Mg2 Mn4 O8\n1.0\n-3.012599 3.012751 4.315846\n3.012599 -3.012751 4.315846\n3.012599 3.012751 -4.315846\nMg Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.612638 0.862638 0.750000 Mn\n0.387362 0.137362 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.254992 0.274911 0.980081 O\n0.247445 0.278007 0.530562 O\n0.794830 0.274911 0.519919 O\n0.247445 0.716883 0.969438 O\n0.752555 0.283117 0.030562 O\n0.752555 0.721993 0.469438 O\n0.205170 0.725089 0.480081 O\n0.745008 0.725089 0.019919 O\n","nsites":14,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.2005441007489415,"density_atomic":0.08935061330977472,"volume":156.6861097132328,"volume_molar":6.739898627356366,"formula_full":"Mg2 Mn4 O8","formula_reduced":"MgMn2O4","formula_anonymous":"AB2C4","energy":-111.55378692,"energy_per_atom":-7.968127637142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.38578692,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000083,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.199000Z","spacegroup":74},{"id":"mp-766011","created_at":"2022-09-04T14:40:03.897931Z","structure_string":"Li6 V2 Cr2 P4 H4 O20\n1.0\n-0.605841 -1.977738 4.744938\n5.583171 -0.096375 0.080541\n0.384008 12.396596 4.763052\nLi V Cr P H O\n6 2 2 4 4 20\ndirect\n0.363903 0.991564 0.418668 Li\n0.863712 0.491307 0.918774 Li\n0.090638 0.457567 0.157112 Li\n0.590632 0.957772 0.657115 Li\n0.422094 0.759615 0.074026 Li\n0.922183 0.259870 0.573896 Li\n0.251048 0.253452 0.750867 V\n0.751488 0.753418 0.250656 V\n0.504731 0.507203 0.494762 Cr\n0.004875 0.006985 0.994788 Cr\n0.549732 0.244147 0.108600 P\n0.049827 0.744304 0.608489 P\n0.958442 0.257848 0.375973 P\n0.458436 0.757695 0.876039 P\n0.165077 0.914148 0.171568 H\n0.665122 0.414347 0.671601 H\n0.305917 0.619971 0.334120 H\n0.805735 0.119708 0.834149 H\n0.469432 0.690963 0.366289 O\n0.969376 0.190614 0.866332 O\n0.529470 0.024416 0.180892 O\n0.029506 0.524627 0.680694 O\n0.005910 0.017675 0.329740 O\n0.505972 0.517328 0.829911 O\n0.340506 0.200099 0.023402 O\n0.840547 0.700193 0.523346 O\n0.827887 0.278387 0.062819 O\n0.327983 0.778548 0.562766 O\n0.692791 0.242470 0.430643 O\n0.192553 0.742365 0.930549 O\n0.172050 0.299326 0.463578 O\n0.671747 0.799128 0.963800 O\n0.497387 0.482710 0.159704 O\n0.997461 0.982957 0.659563 O\n0.985388 0.466555 0.298038 O\n0.485381 0.966431 0.798168 O\n0.042560 0.812053 0.128325 O\n0.542543 0.312251 0.628369 O\n","nsites":38,"nelements":6,"elements":["Li","V","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P-V","density":3.023037621277486,"density_atomic":0.09947658724153903,"volume":381.9994337736198,"volume_molar":6.053827264276411,"formula_full":"Li6 V2 Cr2 P4 H4 O20","formula_reduced":"Li3VCrP2(HO5)2","formula_anonymous":"ABC2D2E3F10","energy":-274.79256469,"energy_per_atom":-7.2313832813157894,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.65456469,"band_gap":1.1033000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.238000Z","spacegroup":1},{"id":"mp-973883","created_at":"2022-09-04T14:40:03.911660Z","structure_string":"Ge3 Rh1\n1.0\n-2.122561 2.122561 3.737654\n2.122561 -2.122561 3.737654\n2.122561 2.122561 -3.737654\nGe Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":2,"elements":["Ge","Rh"],"chemical_system":"Ge-Rh","density":7.909308762886906,"density_atomic":0.05938551729942496,"volume":67.35648996424138,"volume_molar":10.140756591604724,"formula_full":"Ge3 Rh1","formula_reduced":"Ge3Rh","formula_anonymous":"AB3","energy":-20.87206547,"energy_per_atom":-5.2180163675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.87206547,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009849,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.431000Z","spacegroup":139},{"id":"mp-1220244","created_at":"2022-09-04T14:40:03.917237Z","structure_string":"Nd1 Fe1 Ge1\n1.0\n2.102849 -3.642241 0.000000\n2.102849 3.642241 0.000000\n0.000000 0.000000 4.124289\nNd Fe Ge\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Nd\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.500000 Ge\n","nsites":3,"nelements":3,"elements":["Nd","Fe","Ge"],"chemical_system":"Fe-Ge-Nd","density":7.1683859526311755,"density_atomic":0.047485979654016575,"volume":63.176542252219214,"volume_molar":12.681934339098385,"formula_full":"Nd1 Fe1 Ge1","formula_reduced":"NdFeGe","formula_anonymous":"ABC","energy":-18.91563555,"energy_per_atom":-6.30521185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.91563555,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.928497,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.259000Z","spacegroup":187},{"id":"mp-1094116","created_at":"2022-09-04T14:40:03.917637Z","structure_string":"Mg4 Al8\n1.0\n2.741583 -4.748562 0.000000\n2.741583 4.748562 0.000000\n0.000000 0.000000 8.700496\nMg Al\n4 8\ndirect\n0.333333 0.666667 0.064517 Mg\n0.666667 0.333333 0.564517 Mg\n0.666667 0.333333 0.935483 Mg\n0.333333 0.666667 0.435483 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.170581 0.341162 0.750000 Al\n0.829419 0.170581 0.250000 Al\n0.341162 0.170581 0.250000 Al\n0.658838 0.829419 0.750000 Al\n0.170581 0.829419 0.750000 Al\n0.829419 0.658838 0.250000 Al\n","nsites":12,"nelements":2,"elements":["Mg","Al"],"chemical_system":"Al-Mg","density":2.2948602047569024,"density_atomic":0.05297167763696272,"volume":226.53615168167917,"volume_molar":11.368604938798189,"formula_full":"Mg4 Al8","formula_reduced":"MgAl2","formula_anonymous":"AB2","energy":-36.62919434,"energy_per_atom":-3.0524328616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.62919434,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0376542,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.395000Z","spacegroup":194},{"id":"mp-8475","created_at":"2022-09-04T14:40:03.919996Z","structure_string":"Er2 Co2 C2\n1.0\n3.608729 0.000000 0.000000\n0.000000 3.608729 0.000000\n0.000000 0.000000 6.796651\nEr Co C\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Er\n0.000000 0.000000 0.250000 Er\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n","nsites":6,"nelements":3,"elements":["Er","Co","C"],"chemical_system":"C-Co-Er","density":8.937635092817883,"density_atomic":0.06778720713163283,"volume":88.51227619318905,"volume_molar":8.88388977038969,"formula_full":"Er2 Co2 C2","formula_reduced":"ErCoC","formula_anonymous":"ABC","energy":-43.84928371,"energy_per_atom":-7.308213951666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.84928371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9028492,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.800000Z","spacegroup":131},{"id":"mp-1179749","created_at":"2022-09-04T14:40:03.925992Z","structure_string":"Rb1 Cu3 Ge1 Se4\n1.0\n6.276105 0.000000 0.000000\n0.000000 6.276105 0.000000\n0.000000 0.000000 6.276105\nRb Cu Ge Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ge\n0.215086 0.215086 0.215086 Se\n0.784914 0.784914 0.215086 Se\n0.215086 0.784914 0.784914 Se\n0.784914 0.215086 0.784914 Se\n","nsites":9,"nelements":4,"elements":["Rb","Cu","Ge","Se"],"chemical_system":"Cu-Ge-Rb-Se","density":4.464055164438002,"density_atomic":0.0364059113404872,"volume":247.2126000590199,"volume_molar":16.54165639112225,"formula_full":"Rb1 Cu3 Ge1 Se4","formula_reduced":"RbCu3GeSe4","formula_anonymous":"ABC3D4","energy":-35.73399225,"energy_per_atom":-3.970443583333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.84599225,"band_gap":1.0291,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003699,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.755000Z","spacegroup":215},{"id":"mp-766565","created_at":"2022-09-04T14:40:03.880399Z","structure_string":"Li12 V1 Co3 P4 C4 O28\n1.0\n6.515856 0.000000 0.000000\n0.000000 8.447857 0.000000\n0.000000 0.918862 9.956622\nLi V Co P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.902699 0.615044 Li\n0.000000 0.900485 0.115631 Li\n0.229284 0.723697 0.873984 Li\n0.770716 0.723697 0.873984 Li\n0.231235 0.723079 0.374485 Li\n0.768765 0.723079 0.374485 Li\n0.726371 0.277905 0.627804 Li\n0.273629 0.277905 0.627804 Li\n0.727179 0.277106 0.124100 Li\n0.272821 0.277106 0.124100 Li\n0.500000 0.098414 0.884214 Li\n0.500000 0.099707 0.384241 Li\n0.000000 0.328821 0.396058 V\n0.500000 0.668285 0.605168 Co\n0.500000 0.668464 0.106079 Co\n0.000000 0.331752 0.894550 Co\n0.000000 0.588698 0.639279 P\n0.000000 0.587577 0.138916 P\n0.500000 0.413135 0.861378 P\n0.500000 0.412166 0.361016 P\n0.500000 0.963110 0.650740 C\n0.500000 0.963038 0.150449 C\n0.000000 0.037573 0.849218 C\n0.000000 0.034310 0.347798 C\n0.500000 0.927763 0.527435 O\n0.000000 0.891525 0.818421 O\n0.500000 0.927875 0.027349 O\n0.500000 0.845959 0.745397 O\n0.000000 0.888282 0.319796 O\n0.500000 0.845782 0.245172 O\n0.186542 0.692660 0.587282 O\n0.813458 0.692660 0.587282 O\n0.187024 0.691129 0.087480 O\n0.812976 0.691129 0.087480 O\n0.500000 0.579346 0.913572 O\n0.000000 0.566690 0.796146 O\n0.500000 0.578927 0.412922 O\n0.000000 0.569009 0.295627 O\n0.500000 0.434018 0.704190 O\n0.000000 0.421815 0.588098 O\n0.500000 0.434392 0.203855 O\n0.000000 0.421222 0.086048 O\n0.313630 0.308470 0.912508 O\n0.686370 0.308470 0.912508 O\n0.683138 0.306473 0.414315 O\n0.316862 0.306473 0.414315 O\n0.000000 0.154859 0.754322 O\n0.500000 0.109018 0.681601 O\n0.000000 0.149766 0.251791 O\n0.000000 0.072817 0.972211 O\n0.500000 0.109078 0.181325 O\n0.000000 0.072582 0.471028 O\n","nsites":52,"nelements":6,"elements":["Li","V","Co","P","C","O"],"chemical_system":"C-Co-Li-O-P-V","density":2.8206378576315694,"density_atomic":0.09487969772090123,"volume":548.0624543404803,"volume_molar":6.347133164056625,"formula_full":"Li12 V1 Co3 P4 C4 O28","formula_reduced":"Li12VCo3P4(CO7)4","formula_anonymous":"AB3C4D4E12F28","energy":-371.5749908300001,"energy_per_atom":-7.145672900576925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.72499083,"band_gap":0.7799000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.386000Z","spacegroup":6},{"id":"mp-1029741","created_at":"2022-09-04T14:40:03.884636Z","structure_string":"Sr6 Ir2 N6\n1.0\n3.871492 -6.705621 0.000000\n3.871492 6.705621 0.000000\n0.000000 0.000000 5.334834\nSr Ir N\n6 2 6\ndirect\n0.637635 0.733349 0.750000 Sr\n0.095714 0.362365 0.750000 Sr\n0.266651 0.904286 0.750000 Sr\n0.362365 0.266651 0.250000 Sr\n0.904286 0.637635 0.250000 Sr\n0.733349 0.095714 0.250000 Sr\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.750000 Ir\n0.594956 0.699814 0.250000 N\n0.104858 0.405044 0.250000 N\n0.300186 0.895142 0.250000 N\n0.405044 0.300186 0.750000 N\n0.895142 0.594956 0.750000 N\n0.699814 0.104858 0.750000 N\n","nsites":14,"nelements":3,"elements":["Sr","Ir","N"],"chemical_system":"Ir-N-Sr","density":5.960079419855062,"density_atomic":0.05054285380800851,"volume":276.99266949152167,"volume_molar":11.914920322615007,"formula_full":"Sr6 Ir2 N6","formula_reduced":"Sr3IrN3","formula_anonymous":"AB3C3","energy":-87.15089148,"energy_per_atom":-6.225063677142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.98489148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7935867,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.661000Z","spacegroup":176},{"id":"mp-1187362","created_at":"2022-09-04T14:40:03.904982Z","structure_string":"Tb2 Os6\n1.0\n2.948084 -5.106231 0.000000\n2.948084 5.106231 0.000000\n0.000000 0.000000 4.579570\nTb Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.155349 0.310699 0.250000 Os\n0.689301 0.844651 0.250000 Os\n0.155349 0.844651 0.250000 Os\n0.844651 0.689301 0.750000 Os\n0.310699 0.155349 0.750000 Os\n0.844651 0.155349 0.750000 Os\n","nsites":8,"nelements":2,"elements":["Tb","Os"],"chemical_system":"Os-Tb","density":17.574300433586483,"density_atomic":0.05802230504397207,"volume":137.87801077425686,"volume_molar":10.379009857392141,"formula_full":"Tb2 Os6","formula_reduced":"TbOs3","formula_anonymous":"AB3","energy":-73.07163482,"energy_per_atom":-9.1339543525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.07163482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0203268,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.530000Z","spacegroup":194},{"id":"mp-557939","created_at":"2022-09-04T14:40:03.949333Z","structure_string":"La4 Ni3 O8\n1.0\n-1.999874 1.999874 12.992648\n1.999874 -1.999874 12.992648\n1.999874 1.999874 -12.992648\nLa Ni O\n4 3 8\ndirect\n0.298877 0.298877 0.000000 La\n0.701123 0.701123 0.000000 La\n0.433819 0.433819 0.000000 La\n0.566181 0.566181 0.000000 La\n0.124965 0.124965 0.000000 Ni\n0.875035 0.875035 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.874651 0.374651 0.500000 O\n0.750000 0.250000 0.500000 O\n0.374651 0.874651 0.500000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.125349 0.625349 0.500000 O\n0.625349 0.125349 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":15,"nelements":3,"elements":["La","Ni","O"],"chemical_system":"La-Ni-O","density":6.86802263367009,"density_atomic":0.07216528425643104,"volume":207.8561756467171,"volume_molar":8.344927650532098,"formula_full":"La4 Ni3 O8","formula_reduced":"La4Ni3O8","formula_anonymous":"A3B4C8","energy":-116.81849827,"energy_per_atom":-7.787899884666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.69949827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9997473,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.818000Z","spacegroup":139},{"id":"mp-1203881","created_at":"2022-09-04T14:40:00.808940Z","structure_string":"Na2 Tc4 N10 O2 F24\n1.0\n6.252505 0.000000 0.000000\n0.000000 7.481435 0.000000\n0.000000 0.000000 15.475429\nNa Tc N O F\n2 4 10 2 24\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.655759 0.593626 Tc\n0.500000 0.344241 0.406374 Tc\n0.500000 0.155759 0.906374 Tc\n0.500000 0.844241 0.093626 Tc\n0.500000 0.162495 0.637254 N\n0.500000 0.837505 0.362746 N\n0.500000 0.662495 0.862746 N\n0.500000 0.337505 0.137254 N\n0.000000 0.399072 0.787808 N\n0.000000 0.600928 0.212192 N\n0.000000 0.899072 0.712192 N\n0.000000 0.100928 0.287808 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.285688 0.524629 0.649398 F\n0.285688 0.475371 0.350602 F\n0.714312 0.024629 0.850602 F\n0.714312 0.975371 0.149398 F\n0.714312 0.475371 0.350602 F\n0.714312 0.524629 0.649398 F\n0.285688 0.975371 0.149398 F\n0.285688 0.024629 0.850602 F\n0.500000 0.813624 0.687857 F\n0.500000 0.186376 0.312143 F\n0.500000 0.313624 0.812143 F\n0.500000 0.686376 0.187857 F\n0.715815 0.805288 0.541693 F\n0.715815 0.194712 0.458307 F\n0.284185 0.305288 0.958307 F\n0.284185 0.694712 0.041693 F\n0.284185 0.194712 0.458307 F\n0.284185 0.805288 0.541693 F\n0.715815 0.694712 0.041693 F\n0.715815 0.305288 0.958307 F\n0.000000 0.058576 0.671352 F\n0.000000 0.941424 0.328648 F\n0.000000 0.558576 0.828648 F\n0.000000 0.441424 0.171352 F\n","nsites":42,"nelements":5,"elements":["Na","Tc","N","O","F"],"chemical_system":"F-N-Na-O-Tc","density":2.445273877547658,"density_atomic":0.058018652576434813,"volume":723.9051259363262,"volume_molar":10.379663250652579,"formula_full":"Na2 Tc4 N10 O2 F24","formula_reduced":"NaTc2N5OF12","formula_anonymous":"ABC2D5E12","energy":-213.32360756000003,"energy_per_atom":-5.079133513333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.86160756,"band_gap":0.1247,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.691000Z","spacegroup":55}]}