{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10194","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10192","results":[{"id":"mp-1405591","created_at":"2022-09-04T14:41:44.937084Z","structure_string":"Mn2 Al2 O6\n1.0\n-4.862618 0.000000 0.000000\n2.311301 4.422012 0.000000\n-0.075554 -2.601934 -4.545643\nMn Al O\n2 2 6\ndirect\n0.354445 0.654471 0.059287 Mn\n0.645555 0.345529 0.940713 Mn\n0.148701 0.845138 0.454144 Al\n0.851299 0.154862 0.545856 Al\n0.784878 0.974729 0.259639 O\n0.081696 0.568427 0.281488 O\n0.447854 0.241374 0.256610 O\n0.552146 0.758626 0.743390 O\n0.918304 0.431573 0.718512 O\n0.215122 0.025271 0.740361 O\n","nsites":10,"nelements":3,"elements":["Mn","Al","O"],"chemical_system":"Al-Mn-O","density":4.414304637970853,"density_atomic":0.10230918031366423,"volume":97.74293928796551,"volume_molar":5.886217386882625,"formula_full":"Mn2 Al2 O6","formula_reduced":"MnAlO3","formula_anonymous":"ABC3","energy":-33.18865026,"energy_per_atom":-3.318865026,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.73065026,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.810000Z","spacegroup":2},{"id":"mp-1147722","created_at":"2022-09-04T14:41:21.540320Z","structure_string":"Ca2 Cu1 S1 O2\n1.0\n-1.938462 1.938462 8.010780\n1.938462 -1.938462 8.010780\n1.938462 1.938462 -8.010780\nCa Cu S O\n2 1 1 2\ndirect\n0.316926 0.316926 0.000000 Ca\n0.683074 0.683074 0.000000 Ca\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 S\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n","nsites":6,"nelements":4,"elements":["Ca","Cu","S","O"],"chemical_system":"Ca-Cu-O-S","density":2.8653242680323427,"density_atomic":0.049831260210577,"volume":120.40634683219314,"volume_molar":12.085066150347453,"formula_full":"Ca2 Cu1 S1 O2","formula_reduced":"Ca2CuSO2","formula_anonymous":"ABC2D2","energy":-33.18646304,"energy_per_atom":-5.531077173333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.309463040000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7660437,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.834000Z","spacegroup":139},{"id":"mp-3530","created_at":"2022-09-04T14:42:25.463684Z","structure_string":"Au1 O2 F6\n1.0\n5.509899 0.000000 0.000000\n-1.304725 5.420360 0.000000\n-1.015961 -0.283221 5.532278\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.432073 0.550253 0.539822 O\n0.567927 0.449747 0.460178 O\n0.710908 0.082773 0.794443 F\n0.289092 0.917227 0.205557 F\n0.045967 0.818014 0.723071 F\n0.954033 0.181986 0.276929 F\n0.222426 0.300964 0.920981 F\n0.777574 0.699036 0.079019 F\n","nsites":9,"nelements":3,"elements":["Au","O","F"],"chemical_system":"Au-F-O","density":3.4467633726194453,"density_atomic":0.054471175078274404,"volume":165.22500179346437,"volume_molar":11.055646865238831,"formula_full":"Au1 O2 F6","formula_reduced":"Au(OF3)2","formula_anonymous":"AB2C6","energy":-33.18358399,"energy_per_atom":-3.687064887777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.08958399,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0002538,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.462000Z","spacegroup":2},{"id":"mp-1226642","created_at":"2022-09-04T14:42:17.024476Z","structure_string":"Ce1 Cu1 Si2 Ru1\n1.0\n-2.016370 2.016370 5.110711\n2.016370 -2.016370 5.110711\n2.016370 2.016370 -5.110711\nCe Cu Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.619339 0.619339 0.000000 Si\n0.380661 0.380661 0.000000 Si\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":4,"elements":["Ce","Cu","Si","Ru"],"chemical_system":"Ce-Cu-Ru-Si","density":7.210374472659222,"density_atomic":0.060157286059786534,"volume":83.11545163508232,"volume_molar":10.010658981548758,"formula_full":"Ce1 Cu1 Si2 Ru1","formula_reduced":"CeCuSi2Ru","formula_anonymous":"ABCD2","energy":-33.18098713,"energy_per_atom":-6.636197426,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.32298713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4109809,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.450000Z","spacegroup":119},{"id":"mp-1185687","created_at":"2022-09-04T14:45:57.396538Z","structure_string":"Mg1 Sc5\n1.0\n1.651606 -8.553506 0.000000\n1.651606 8.553506 0.000000\n0.000000 0.000000 5.232856\nMg Sc\n1 5\ndirect\n0.223448 0.776552 0.500000 Mg\n0.999144 0.000856 0.000000 Sc\n0.668450 0.331550 0.000000 Sc\n0.333201 0.666799 0.000000 Sc\n0.553551 0.446449 0.500000 Sc\n0.888875 0.111125 0.500000 Sc\n","nsites":6,"nelements":2,"elements":["Mg","Sc"],"chemical_system":"Mg-Sc","density":2.7975413178003943,"density_atomic":0.040581851248102804,"volume":147.84934189714915,"volume_molar":14.839492469633294,"formula_full":"Mg1 Sc5","formula_reduced":"MgSc5","formula_anonymous":"AB5","energy":-33.18054301,"energy_per_atom":-5.530090501666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.18054301,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9278064,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.911000Z","spacegroup":38},{"id":"mp-1205862","created_at":"2022-09-04T14:40:11.386608Z","structure_string":"Rb2 Sr2 I6\n1.0\n2.432273 -8.045275 0.000000\n2.432273 8.045275 0.000000\n0.000000 0.000000 12.274642\nRb Sr I\n2 2 6\ndirect\n0.248572 0.751428 0.250000 Rb\n0.751428 0.248572 0.750000 Rb\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.634659 0.365341 0.055420 I\n0.365341 0.634659 0.944580 I\n0.365341 0.634659 0.555420 I\n0.634659 0.365341 0.444580 I\n0.924637 0.075363 0.250000 I\n0.075363 0.924637 0.750000 I\n","nsites":10,"nelements":3,"elements":["Rb","Sr","I"],"chemical_system":"I-Rb-Sr","density":3.8286084272356327,"density_atomic":0.02081651182353231,"volume":480.38788077334664,"volume_molar":28.92963437415191,"formula_full":"Rb2 Sr2 I6","formula_reduced":"RbSrI3","formula_anonymous":"ABC3","energy":-33.17850925,"energy_per_atom":-3.3178509249999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.90450925,"band_gap":4.0221,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0033456,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.412000Z","spacegroup":63},{"id":"mp-560236","created_at":"2022-09-04T14:43:40.934230Z","structure_string":"Mg2 F4\n1.0\n1.969444 5.229324 0.000000\n-1.969444 5.229324 0.000000\n0.000000 4.243429 5.266902\nMg F\n2 4\ndirect\n0.895403 0.895403 0.849133 Mg\n0.104597 0.104597 0.150867 Mg\n0.648799 0.648799 0.104055 F\n0.000000 0.000000 0.500000 F\n0.351201 0.351201 0.895945 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":2,"elements":["Mg","F"],"chemical_system":"F-Mg","density":1.9072398465790905,"density_atomic":0.05530658332476194,"volume":108.48618083615503,"volume_molar":10.888650858502334,"formula_full":"Mg2 F4","formula_reduced":"MgF2","formula_anonymous":"AB2","energy":-33.17712476,"energy_per_atom":-5.529520793333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.32912476,"band_gap":6.3851,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001889,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.278000Z","spacegroup":12},{"id":"mp-1074733","created_at":"2022-09-04T14:41:51.621843Z","structure_string":"Mg8 Si4\n1.0\n6.035141 0.000000 0.000000\n-1.812842 6.395968 0.000000\n-2.539064 -1.649757 6.050877\nMg Si\n8 4\ndirect\n0.025512 0.827116 0.907994 Mg\n0.795528 0.173612 0.726170 Mg\n0.300188 0.168623 0.754064 Mg\n0.793440 0.510645 0.118593 Mg\n0.298060 0.838762 0.420572 Mg\n0.546752 0.491557 0.563771 Mg\n0.295191 0.510316 0.084583 Mg\n0.995049 0.155176 0.256220 Mg\n0.117476 0.533202 0.636432 Si\n0.819913 0.824244 0.447770 Si\n0.522822 0.845689 0.886729 Si\n0.490179 0.121518 0.197109 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.181056638996724,"density_atomic":0.051377056372706974,"volume":233.56729340326237,"volume_molar":11.721459315055546,"formula_full":"Mg8 Si4","formula_reduced":"Mg2Si","formula_anonymous":"AB2","energy":-33.17640369,"energy_per_atom":-2.7647003075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.46040369,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001882,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.385000Z","spacegroup":1},{"id":"mp-4297","created_at":"2022-09-04T14:48:28.190299Z","structure_string":"U1 Ge2 Pd2\n1.0\n-2.086233 2.086233 5.299246\n2.086233 -2.086233 5.299246\n2.086233 2.086233 -5.299246\nU Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.614498 0.614498 0.000000 Ge\n0.385502 0.385502 0.000000 Ge\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["U","Ge","Pd"],"chemical_system":"Ge-Pd-U","density":10.73010960356996,"density_atomic":0.05419638394143569,"volume":92.25707761984586,"volume_molar":11.111702150659152,"formula_full":"U1 Ge2 Pd2","formula_reduced":"U(GePd)2","formula_anonymous":"AB2C2","energy":-33.17627175,"energy_per_atom":-6.635254349999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.17627175,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.465101,"is_theoretical":false,"updated_at":"2021-11-28T01:39:19.370000Z","spacegroup":139},{"id":"mp-1217969","created_at":"2022-09-04T14:44:27.212379Z","structure_string":"Sr1 Sm1 Cl2 F2\n1.0\n4.017548 0.000000 0.000000\n0.000000 4.017548 0.000000\n0.000000 0.000000 7.154313\nSr Sm Cl F\n1 1 2 2\ndirect\n0.500000 0.500000 0.795695 Sr\n0.000000 0.000000 0.227367 Sm\n0.500000 0.500000 0.344447 Cl\n0.000000 0.000000 0.631711 Cl\n0.500000 0.000000 0.000390 F\n0.000000 0.500000 0.000390 F\n","nsites":6,"nelements":4,"elements":["Sr","Sm","Cl","F"],"chemical_system":"Cl-F-Sm-Sr","density":4.9881762078722645,"density_atomic":0.051959045618245096,"volume":115.47556212027762,"volume_molar":11.5901681571406,"formula_full":"Sr1 Sm1 Cl2 F2","formula_reduced":"SrSm(ClF)2","formula_anonymous":"ABC2D2","energy":-33.17563471,"energy_per_atom":-5.5292724516666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.023634710000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2289912,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.130000Z","spacegroup":99},{"id":"mp-1028114","created_at":"2022-09-04T14:40:38.698617Z","structure_string":"Ca1 Mg14 Mo1\n1.0\n6.446874 0.000000 -0.000000\n-3.223437 5.583156 0.000000\n0.000000 0.000000 10.139046\nCa Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176400 0.838199 0.125000 Mg\n0.162224 0.831111 0.625000 Mg\n0.661801 0.323600 0.125000 Mg\n0.668889 0.337776 0.625000 Mg\n0.661801 0.838199 0.125000 Mg\n0.668889 0.831111 0.625000 Mg\n0.329762 0.170238 0.392745 Mg\n0.329762 0.170238 0.857255 Mg\n0.329762 0.659524 0.392745 Mg\n0.329762 0.659524 0.857255 Mg\n0.840476 0.170238 0.392745 Mg\n0.840476 0.170238 0.857255 Mg\n0.833333 0.666667 0.368050 Mg\n0.833333 0.666667 0.881950 Mg\n0.166667 0.333333 0.625000 Mo\n","nsites":16,"nelements":3,"elements":["Ca","Mg","Mo"],"chemical_system":"Ca-Mg-Mo","density":2.1671685955455335,"density_atomic":0.04384236205837429,"volume":364.9438408153435,"volume_molar":13.735894868031448,"formula_full":"Ca1 Mg14 Mo1","formula_reduced":"CaMg14Mo","formula_anonymous":"ABC14","energy":-33.17275849,"energy_per_atom":-2.073297405625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.17275849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1249207,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.061000Z","spacegroup":187},{"id":"mp-1077378","created_at":"2022-09-04T14:39:43.936298Z","structure_string":"Cs2 Mn2 P2\n1.0\n3.881517 0.000000 0.000000\n0.000000 3.881517 0.000000\n0.000000 0.000000 11.650856\nCs Mn P\n2 2 2\ndirect\n0.000000 0.500000 0.709647 Cs\n0.500000 0.000000 0.290353 Cs\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.102632 P\n0.500000 0.000000 0.897368 P\n","nsites":6,"nelements":3,"elements":["Cs","Mn","P"],"chemical_system":"Cs-Mn-P","density":4.139995287071977,"density_atomic":0.03418144596788004,"volume":175.53382632315027,"volume_molar":17.618156837656734,"formula_full":"Cs2 Mn2 P2","formula_reduced":"CsMnP","formula_anonymous":"ABC","energy":-33.1726486,"energy_per_atom":-5.528774766666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.1726486,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0070674,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.415000Z","spacegroup":129}]}