{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=34","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=32","results":[{"id":"mp-640416","created_at":"2022-09-04T14:42:43.700715Z","structure_string":"Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.499989699184075,"density_atomic":0.010569067075738724,"volume":756.9258424297436,"volume_molar":56.978924599918706,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy":-7.39045015,"energy_per_atom":-0.92380626875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.39045015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0140471,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.872000Z","spacegroup":1},{"id":"mp-22063","created_at":"2022-09-04T14:42:43.705530Z","structure_string":"U4 Cr4 S12\n1.0\n6.103442 0.000000 0.000000\n0.000000 7.069347 0.000000\n0.000000 0.000000 8.867984\nU Cr S\n4 4 12\ndirect\n0.943371 0.381332 0.250000 U\n0.443371 0.118668 0.750000 U\n0.556629 0.881332 0.250000 U\n0.056629 0.618668 0.750000 U\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.334124 0.820748 0.942054 S\n0.165876 0.320748 0.942054 S\n0.665876 0.179252 0.057946 S\n0.334124 0.820748 0.557946 S\n0.145272 0.041655 0.250000 S\n0.645272 0.458345 0.750000 S\n0.354728 0.541655 0.250000 S\n0.854728 0.958345 0.750000 S\n0.165876 0.320748 0.557946 S\n0.665876 0.179252 0.442054 S\n0.834124 0.679252 0.057946 S\n0.834124 0.679252 0.442054 S\n","nsites":20,"nelements":3,"elements":["U","Cr","S"],"chemical_system":"Cr-S-U","density":6.704475949221816,"density_atomic":0.05226981624049105,"volume":382.6300040539823,"volume_molar":11.521258717062262,"formula_full":"U4 Cr4 S12","formula_reduced":"UCrS3","formula_anonymous":"ABC3","energy":-161.05541085000002,"energy_per_atom":-8.052770542500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.01941085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9274426,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.182000Z","spacegroup":62},{"id":"mp-1206541","created_at":"2022-09-04T14:42:43.707747Z","structure_string":"Co3 Ni3 P3\n1.0\n2.900320 -5.023501 0.000000\n2.900320 5.023501 0.000000\n0.000000 0.000000 3.323371\nCo Ni P\n3 3 3\ndirect\n0.606615 0.000000 0.000000 Co\n0.000000 0.606615 0.000000 Co\n0.393385 0.393385 0.000000 Co\n0.259444 0.000000 0.500000 Ni\n0.000000 0.259444 0.500000 Ni\n0.740556 0.740556 0.500000 Ni\n0.333333 0.666667 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n","nsites":9,"nelements":3,"elements":["Co","Ni","P"],"chemical_system":"Co-Ni-P","density":7.644145994462596,"density_atomic":0.09293542245908401,"volume":96.84143851567859,"volume_molar":6.479919712692244,"formula_full":"Co3 Ni3 P3","formula_reduced":"CoNiP","formula_anonymous":"ABC","energy":-59.30832958,"energy_per_atom":-6.589814397777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.30832958,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2540472,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.806000Z","spacegroup":189},{"id":"mp-1227402","created_at":"2022-09-04T14:42:43.708240Z","structure_string":"Ca2 Ir1 Pt1 O6\n1.0\n1.603707 4.962362 0.000000\n-1.603707 4.962362 0.000000\n0.000000 0.028388 7.414161\nCa Ir Pt O\n2 1 1 6\ndirect\n0.749457 0.749457 0.253926 Ca\n0.250543 0.250543 0.746074 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n0.370566 0.370566 0.044754 O\n0.629434 0.629434 0.955246 O\n0.375480 0.375480 0.449676 O\n0.624520 0.624520 0.550324 O\n0.081355 0.081355 0.253239 O\n0.918645 0.918645 0.746761 O\n","nsites":10,"nelements":4,"elements":["Ca","Ir","Pt","O"],"chemical_system":"Ca-Ir-O-Pt","density":7.928693428712237,"density_atomic":0.0847411833651065,"volume":118.00637662699499,"volume_molar":7.106510106253379,"formula_full":"Ca2 Ir1 Pt1 O6","formula_reduced":"Ca2IrPtO6","formula_anonymous":"ABC2D6","energy":-69.07846696,"energy_per_atom":-6.907846696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.95646696,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.999902,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.139000Z","spacegroup":12},{"id":"mp-1206310","created_at":"2022-09-04T14:42:43.709672Z","structure_string":"Nd1 Cr2 Si2 C1\n1.0\n3.988175 0.000000 0.000000\n0.000000 3.988175 0.000000\n0.000000 0.000000 5.359601\nNd Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.266583 Si\n0.500000 0.500000 0.733417 Si\n0.000000 0.000000 0.000000 C\n","nsites":6,"nelements":4,"elements":["Nd","Cr","Si","C"],"chemical_system":"C-Cr-Nd-Si","density":6.163487552558536,"density_atomic":0.07038342187009386,"volume":85.24734718175758,"volume_molar":8.556192069085558,"formula_full":"Nd1 Cr2 Si2 C1","formula_reduced":"NdCr2Si2C","formula_anonymous":"ABC2D2","energy":-46.59098987,"energy_per_atom":-7.765164978333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.73298987,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.246615,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.212000Z","spacegroup":123},{"id":"mp-866376","created_at":"2022-09-04T14:42:43.537825Z","structure_string":"Ti1 Mn2 Ge1\n1.0\n0.000000 2.935991 2.935991\n2.935991 0.000000 2.935991\n2.935991 2.935991 0.000000\nTi Mn Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["Ti","Mn","Ge"],"chemical_system":"Ge-Mn-Ti","density":7.55797656308807,"density_atomic":0.07902524224226086,"volume":50.61673822824289,"volume_molar":7.620528060563792,"formula_full":"Ti1 Mn2 Ge1","formula_reduced":"TiMn2Ge","formula_anonymous":"ABC2","energy":-32.20298668,"energy_per_atom":-8.05074667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.20298668,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9891151,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.802000Z","spacegroup":225},{"id":"mp-867195","created_at":"2022-09-04T14:42:43.547898Z","structure_string":"Sr1 Os1 O3\n1.0\n3.992358 0.000000 0.000000\n0.000000 3.992358 0.000000\n0.000000 0.000000 3.992358\nSr Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Os","O"],"chemical_system":"O-Os-Sr","density":8.503074601842126,"density_atomic":0.0785744898433844,"volume":63.63388435567394,"volume_molar":7.6642441739086085,"formula_full":"Sr1 Os1 O3","formula_reduced":"SrOsO3","formula_anonymous":"ABC3","energy":-38.09549387,"energy_per_atom":-7.619098773999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.03449387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0549489,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.328000Z","spacegroup":221},{"id":"mp-2012","created_at":"2022-09-04T14:42:43.560617Z","structure_string":"Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Li","Hg"],"chemical_system":"Hg-Li","density":9.209102945277461,"density_atomic":0.05344600491392296,"volume":37.420944806278484,"volume_molar":11.26770984978,"formula_full":"Li1 Hg1","formula_reduced":"LiHg","formula_anonymous":"AB","energy":-2.96021147,"energy_per_atom":-1.480105735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.96021147,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001743,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.928000Z","spacegroup":221},{"id":"mp-1208742","created_at":"2022-09-04T14:42:43.570187Z","structure_string":"Sr8 Mn6 B2 O20\n1.0\n7.634125 -0.000013 0.000034\n3.817059 -8.053390 -3.864153\n-0.000035 -0.000114 -7.728103\nSr Mn B O\n8 6 2 20\ndirect\n0.878052 0.743928 0.856311 Sr\n0.378007 0.743930 0.856299 Sr\n0.121949 0.256033 0.600253 Sr\n0.621986 0.256042 0.600250 Sr\n0.118424 0.263168 0.115958 Sr\n0.618404 0.263182 0.115959 Sr\n0.881583 0.736855 0.379119 Sr\n0.381594 0.736859 0.379111 Sr\n0.499989 0.000005 0.488630 Mn\n0.250420 0.499173 0.240437 Mn\n0.749579 0.500836 0.739605 Mn\n0.999979 0.000013 0.488538 Mn\n0.750406 0.499199 0.240423 Mn\n0.249584 0.500828 0.739597 Mn\n0.500006 0.999993 0.958662 B\n0.000007 0.999992 0.958653 B\n0.500008 0.999991 0.775232 O\n0.000013 0.999989 0.775221 O\n0.249984 0.000008 0.447972 O\n0.749980 0.000009 0.447965 O\n0.076258 0.847448 0.119104 O\n0.576266 0.847444 0.119107 O\n0.423746 0.152538 0.966564 O\n0.923755 0.152537 0.966562 O\n0.380334 0.239296 0.362258 O\n0.880320 0.239311 0.362225 O\n0.119655 0.760712 0.601521 O\n0.619661 0.760714 0.601552 O\n0.985267 0.529489 0.224537 O\n0.485269 0.529481 0.224536 O\n0.014752 0.470493 0.754014 O\n0.514750 0.470495 0.754009 O\n0.242363 0.515266 0.983167 O\n0.742352 0.515289 0.983160 O\n0.257653 0.484721 0.498445 O\n0.757645 0.484733 0.498445 O\n","nsites":36,"nelements":4,"elements":["Sr","Mn","B","O"],"chemical_system":"B-Mn-O-Sr","density":4.795771581445423,"density_atomic":0.07576960543355721,"volume":475.1245541534277,"volume_molar":7.947963732344956,"formula_full":"Sr8 Mn6 B2 O20","formula_reduced":"Sr4Mn3BO10","formula_anonymous":"AB3C4D10","energy":-279.24395089,"energy_per_atom":-7.756776413611111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.49595089,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.997000Z","spacegroup":38},{"id":"mp-1111156","created_at":"2022-09-04T14:42:43.582376Z","structure_string":"Na2 Hg1 Rh1 F6\n1.0\n0.000000 4.425221 4.425221\n4.425221 0.000000 4.425221\n4.425221 4.425221 0.000000\nNa Hg Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n0.230287 0.230287 0.769713 F\n0.230287 0.769713 0.769713 F\n0.769713 0.769713 0.230287 F\n0.230287 0.769713 0.230287 F\n0.769713 0.230287 0.769713 F\n0.769713 0.230287 0.230287 F\n","nsites":10,"nelements":4,"elements":["Na","Hg","Rh","F"],"chemical_system":"F-Hg-Na-Rh","density":4.440496983053773,"density_atomic":0.057698578044610246,"volume":173.31449645550012,"volume_molar":10.437242934035428,"formula_full":"Na2 Hg1 Rh1 F6","formula_reduced":"Na2HgRhF6","formula_anonymous":"ABC2D6","energy":-41.79476708,"energy_per_atom":-4.179476708,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.02276708,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.76e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.136000Z","spacegroup":225},{"id":"mp-24152","created_at":"2022-09-04T14:42:43.585928Z","structure_string":"Ho1 H2\n1.0\n0.000000 2.580550 2.580550\n2.580550 0.000000 2.580550\n2.580550 2.580550 0.000000\nHo H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n","nsites":3,"nelements":2,"elements":["Ho","H"],"chemical_system":"H-Ho","density":8.066010912136269,"density_atomic":0.08728797618879668,"volume":34.368994803032756,"volume_molar":6.899164149452391,"formula_full":"Ho1 H2","formula_reduced":"HoH2","formula_anonymous":"AB2","energy":-13.78782873,"energy_per_atom":-4.59594291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.42982873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046258,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.375000Z","spacegroup":225},{"id":"mp-23911","created_at":"2022-09-04T14:42:43.661263Z","structure_string":"Mg2 H40 S4 N4 O28\n1.0\n12.666198 0.000000 0.000000\n0.000000 6.271767 0.000000\n0.000000 2.806238 8.954355\nMg H S N O\n2 40 4 4 28\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.644220 0.670656 0.528895 H\n0.144220 0.329344 0.971105 H\n0.355780 0.329344 0.471105 H\n0.855780 0.670656 0.028895 H\n0.562205 0.660688 0.403926 H\n0.062205 0.339312 0.096074 H\n0.437795 0.339312 0.596074 H\n0.937795 0.660688 0.903926 H\n0.314368 0.995376 0.358299 H\n0.814368 0.004624 0.141701 H\n0.685632 0.004624 0.641701 H\n0.185632 0.995376 0.858299 H\n0.401304 0.055221 0.232320 H\n0.901304 0.944779 0.267680 H\n0.598696 0.944779 0.767680 H\n0.098696 0.055221 0.732320 H\n0.374744 0.901616 0.747245 H\n0.874744 0.098384 0.752755 H\n0.625256 0.098384 0.252755 H\n0.125256 0.901616 0.247245 H\n0.408894 0.671221 0.719325 H\n0.908894 0.328779 0.780675 H\n0.591106 0.328779 0.280675 H\n0.091106 0.671221 0.219325 H\n0.070813 0.637527 0.668287 H\n0.570813 0.362473 0.831713 H\n0.929187 0.362473 0.331713 H\n0.429187 0.637527 0.168287 H\n0.156752 0.521563 0.575046 H\n0.656752 0.478437 0.924954 H\n0.843248 0.478437 0.424954 H\n0.343248 0.521563 0.075046 H\n0.199820 0.596964 0.722123 H\n0.699820 0.403036 0.777877 H\n0.800180 0.403036 0.277877 H\n0.300180 0.596964 0.222123 H\n0.165960 0.794864 0.557538 H\n0.665960 0.205136 0.942462 H\n0.334040 0.794864 0.057538 H\n0.834040 0.205136 0.442462 H\n0.139525 0.257320 0.404849 S\n0.639525 0.742680 0.095151 S\n0.860475 0.742680 0.595151 S\n0.360475 0.257320 0.904849 S\n0.148848 0.638900 0.631577 N\n0.648848 0.361100 0.868423 N\n0.851152 0.361100 0.368423 N\n0.351152 0.638900 0.131577 N\n0.105592 0.831562 0.169826 O\n0.069709 0.297283 0.003116 O\n0.430291 0.297283 0.503116 O\n0.930291 0.702717 0.996884 O\n0.389485 0.970194 0.338692 O\n0.889485 0.029806 0.161308 O\n0.610515 0.029806 0.661308 O\n0.110515 0.970194 0.838692 O\n0.394408 0.831562 0.669826 O\n0.894408 0.168438 0.830174 O\n0.605592 0.168438 0.330174 O\n0.569709 0.702717 0.496884 O\n0.321822 0.042907 0.882553 O\n0.821822 0.957093 0.617447 O\n0.678178 0.957093 0.117447 O\n0.231017 0.410091 0.402393 O\n0.433510 0.373851 0.779185 O\n0.933510 0.626149 0.720815 O\n0.566490 0.626149 0.220815 O\n0.066490 0.373851 0.279185 O\n0.417668 0.212787 0.048094 O\n0.917668 0.787213 0.451906 O\n0.582332 0.787213 0.951906 O\n0.082332 0.212787 0.548094 O\n0.268983 0.410091 0.902393 O\n0.768983 0.589909 0.597607 O\n0.731017 0.589909 0.097607 O\n0.178178 0.042907 0.382553 O\n","nsites":78,"nelements":5,"elements":["Mg","H","S","N","O"],"chemical_system":"H-Mg-N-O-S","density":1.6835765721536389,"density_atomic":0.10965390593335264,"volume":711.3289703278623,"volume_molar":5.4919528025387825,"formula_full":"Mg2 H40 S4 N4 O28","formula_reduced":"MgH20S2(NO7)2","formula_anonymous":"AB2C2D14E20","energy":-435.36966054,"energy_per_atom":-5.581662314615384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-414.68966054,"band_gap":5.2087,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005186,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.396000Z","spacegroup":14}]}