{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=98","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=96","results":[{"id":"mp-1185123","created_at":"2022-09-04T14:47:11.424908Z","structure_string":"K3 Tb1\n1.0\n-2.905376 2.905376 6.671850\n2.905376 -2.905376 6.671850\n2.905376 2.905376 -6.671850\nK Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tb\n","nsites":4,"nelements":2,"elements":["K","Tb"],"chemical_system":"K-Tb","density":2.0360744636054617,"density_atomic":0.01775615947333464,"volume":225.27393978450186,"volume_molar":33.915784373550856,"formula_full":"K3 Tb1","formula_reduced":"K3Tb","formula_anonymous":"AB3","energy":-5.62079305,"energy_per_atom":-1.4051982625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.62079305,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1874981,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.567000Z","spacegroup":139},{"id":"mp-1096835","created_at":"2022-09-04T14:45:36.957617Z","structure_string":"Ba4\n1.0\n-3.561742 -4.641180 0.000000\n-3.561742 4.641180 0.000000\n0.000000 0.000000 -6.578505\nBa\n4\ndirect\n0.355844 0.144156 0.250000 Ba\n0.644156 0.855844 0.750000 Ba\n0.986551 0.513449 0.250000 Ba\n0.013449 0.486551 0.750000 Ba\n","nsites":4,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":4.193889148209845,"density_atomic":0.018391278329159006,"volume":217.4943975296203,"volume_molar":32.74454691086924,"formula_full":"Ba4","formula_reduced":"Ba","formula_anonymous":"A","energy":-5.62188725,"energy_per_atom":-1.4054718125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.62188725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0134804,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.727000Z","spacegroup":63},{"id":"mp-1180981","created_at":"2022-09-04T14:41:03.989835Z","structure_string":"I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n","nsites":1,"nelements":1,"elements":["I"],"chemical_system":"I","density":4.5737451578813175,"density_atomic":0.02170430809147089,"volume":46.073802297018105,"volume_molar":27.746292278105436,"formula_full":"I1","formula_reduced":"I","formula_anonymous":"A","energy":-1.40693406,"energy_per_atom":-1.40693406,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.40693406,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011815,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.706000Z","spacegroup":69},{"id":"mp-1185120","created_at":"2022-09-04T14:42:15.254865Z","structure_string":"K3 Tl1\n1.0\n-2.955148 2.955148 5.824672\n2.955148 -2.955148 5.824672\n2.955148 2.955148 -5.824672\nK Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["K","Tl"],"chemical_system":"K-Tl","density":2.625311188802059,"density_atomic":0.019659390687006492,"volume":203.46510548995425,"volume_molar":30.632387625218833,"formula_full":"K3 Tl1","formula_reduced":"K3Tl","formula_anonymous":"AB3","energy":-5.62835643,"energy_per_atom":-1.4070891075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.62835643,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4088242,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.133000Z","spacegroup":139},{"id":"mp-1360281","created_at":"2022-09-04T14:39:59.552427Z","structure_string":"Mg18 Si10\n1.0\n-7.964695 0.000000 0.000000\n3.888399 7.079754 0.000000\n-0.348493 -4.395605 -9.627426\nMg Si\n18 10\ndirect\n0.353772 0.362146 0.385597 Mg\n0.758656 0.623254 0.554871 Mg\n0.057935 0.695594 0.379439 Mg\n0.023722 0.268932 0.550351 Mg\n0.656602 0.988541 0.373933 Mg\n0.510050 0.988182 0.592403 Mg\n0.182039 0.205414 0.873185 Mg\n0.290577 0.503581 0.040565 Mg\n0.881266 0.501599 0.881232 Mg\n0.937035 0.795043 0.031422 Mg\n0.245910 0.862760 0.884579 Mg\n0.564132 0.130740 0.039986 Mg\n0.460060 0.260734 0.708827 Mg\n0.671761 0.756033 0.207186 Mg\n0.166317 0.599734 0.699946 Mg\n0.969409 0.387169 0.207782 Mg\n0.553823 0.605348 0.821320 Mg\n0.290130 0.096982 0.205130 Mg\n0.900143 0.888150 0.728677 Si\n0.135295 0.956851 0.586323 Si\n0.000450 0.029163 0.335994 Si\n0.918728 0.148119 0.018214 Si\n0.826769 0.254831 0.741890 Si\n0.311403 0.747862 0.213363 Si\n0.617788 0.933366 0.887393 Si\n0.628204 0.438265 0.131228 Si\n0.700341 0.352705 0.395538 Si\n0.387683 0.618932 0.523846 Si\n","nsites":28,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.1972762646375803,"density_atomic":0.05157752818592249,"volume":542.8720798536112,"volume_molar":11.675900284115741,"formula_full":"Mg18 Si10","formula_reduced":"Mg9Si5","formula_anonymous":"A5B9","energy":-39.40246398,"energy_per_atom":-1.4072308564285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.11246398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.51e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.355000Z","spacegroup":1},{"id":"mp-977062","created_at":"2022-09-04T14:40:58.792567Z","structure_string":"Na3 Ca1\n1.0\n0.000000 4.235120 4.235120\n4.235120 0.000000 4.235120\n4.235120 4.235120 0.000000\nNa Ca\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n","nsites":4,"nelements":2,"elements":["Na","Ca"],"chemical_system":"Ca-Na","density":1.1918919564211454,"density_atomic":0.026328907249290226,"volume":151.92426947790747,"volume_molar":22.872733391403262,"formula_full":"Na3 Ca1","formula_reduced":"Na3Ca","formula_anonymous":"AB3","energy":-5.63193754,"energy_per_atom":-1.407984385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63193754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1431593,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.614000Z","spacegroup":225},{"id":"mp-978282","created_at":"2022-09-04T14:44:49.776425Z","structure_string":"Mg3 Hg1\n1.0\n4.410621 0.000000 0.000000\n0.000000 4.410621 0.000000\n0.000000 0.000000 4.410621\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":5.293161498815855,"density_atomic":0.04661876546651414,"volume":85.8023579125699,"volume_molar":12.917846922234894,"formula_full":"Mg3 Hg1","formula_reduced":"Mg3Hg","formula_anonymous":"AB3","energy":-5.63217233,"energy_per_atom":-1.4080430825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63217233,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005231,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.675000Z","spacegroup":221},{"id":"mp-1185432","created_at":"2022-09-04T14:39:26.726954Z","structure_string":"Li1 Zn1 Cd2\n1.0\n0.000000 3.303506 3.303506\n3.303506 0.000000 3.303506\n3.303506 3.303506 0.000000\nLi Zn Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Zn","Cd"],"chemical_system":"Cd-Li-Zn","density":6.843869017406848,"density_atomic":0.055475943332574884,"volume":72.10332550850455,"volume_molar":10.855409386907825,"formula_full":"Li1 Zn1 Cd2","formula_reduced":"LiZnCd2","formula_anonymous":"ABC2","energy":-5.63274844,"energy_per_atom":-1.40818711,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63274844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006059,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.354000Z","spacegroup":225},{"id":"mp-1094432","created_at":"2022-09-04T14:47:17.057986Z","structure_string":"Mg2 Zn4\n1.0\n1.472613 5.319645 0.000000\n-1.472613 5.319645 0.000000\n0.000000 1.692257 6.418808\nMg Zn\n2 4\ndirect\n0.525660 0.525660 0.205322 Mg\n0.474340 0.474340 0.794678 Mg\n0.802509 0.802509 0.142354 Zn\n0.147682 0.147682 0.468692 Zn\n0.852318 0.852318 0.531308 Zn\n0.197491 0.197491 0.857646 Zn\n","nsites":6,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":5.122708293938455,"density_atomic":0.059661695098427336,"volume":100.5670387021598,"volume_molar":10.093814381346233,"formula_full":"Mg2 Zn4","formula_reduced":"MgZn2","formula_anonymous":"AB2","energy":-8.44935682,"energy_per_atom":-1.4082261366666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.44935682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.41e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.201000Z","spacegroup":12},{"id":"mp-1028061","created_at":"2022-09-04T14:45:27.465884Z","structure_string":"Rb1 Mg14 Zn1\n1.0\n6.565521 0.022760 0.000000\n-3.263050 5.651768 0.000000\n0.000000 0.000000 10.613983\nRb Mg Zn\n1 14 1\ndirect\n0.158390 0.829195 0.125000 Rb\n0.163542 0.331770 0.625000 Mg\n0.167015 0.833507 0.625000 Mg\n0.653037 0.336043 0.125000 Mg\n0.666410 0.329581 0.625000 Mg\n0.653037 0.816993 0.125000 Mg\n0.666410 0.836828 0.625000 Mg\n0.338464 0.179252 0.389417 Mg\n0.338464 0.179252 0.860583 Mg\n0.338464 0.659213 0.389417 Mg\n0.338464 0.659213 0.860583 Mg\n0.839624 0.169812 0.363548 Mg\n0.839624 0.169812 0.886452 Mg\n0.820629 0.660315 0.392887 Mg\n0.820629 0.660315 0.857113 Mg\n0.197800 0.348899 0.125000 Zn\n","nsites":16,"nelements":3,"elements":["Rb","Mg","Zn"],"chemical_system":"Mg-Rb-Zn","density":2.0666177833906096,"density_atomic":0.04054335915208514,"volume":394.63922907771996,"volume_molar":14.853581168274465,"formula_full":"Rb1 Mg14 Zn1","formula_reduced":"RbMg14Zn","formula_anonymous":"ABC14","energy":-22.54813744,"energy_per_atom":-1.40925859,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.54813744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.784000Z","spacegroup":38},{"id":"mp-694932","created_at":"2022-09-04T14:39:44.955873Z","structure_string":"Na2 Co6 O12\n1.0\n4.137365 -2.692479 0.000000\n4.137365 2.692479 0.000000\n2.385177 0.000000 4.321824\nNa Co O\n2 6 12\ndirect\n0.185091 0.185091 0.185091 Na\n0.814909 0.814909 0.814909 Na\n0.412208 0.737907 0.098661 Co\n0.587792 0.901339 0.262093 Co\n0.737907 0.098661 0.412208 Co\n0.098661 0.412208 0.737907 Co\n0.901339 0.262093 0.587792 Co\n0.262093 0.587792 0.901339 Co\n0.051609 0.051609 0.051609 O\n0.674942 0.674942 0.674942 O\n0.433237 0.060525 0.763548 O\n0.566763 0.236452 0.939475 O\n0.566193 0.566193 0.566193 O\n0.433807 0.433807 0.433807 O\n0.763548 0.433237 0.060525 O\n0.939475 0.566763 0.236452 O\n0.325058 0.325058 0.325058 O\n0.948391 0.948391 0.948391 O\n0.060525 0.763548 0.433237 O\n0.236452 0.939475 0.566763 O\n","nsites":20,"nelements":3,"elements":["Na","Co","O"],"chemical_system":"Co-Na-O","density":10.201948179036288,"density_atomic":0.20770969221004137,"volume":96.28823665953675,"volume_molar":2.8993065734796124,"formula_full":"Na2 Co6 O12","formula_reduced":"Na(CoO2)3","formula_anonymous":"AB3C6","energy":-28.18594455,"energy_per_atom":-1.4092972275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.42594455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0487167,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.612000Z","spacegroup":155},{"id":"mp-974627","created_at":"2022-09-04T14:47:43.993207Z","structure_string":"K3 Tl1\n1.0\n5.906420 0.000000 0.000000\n0.000000 5.906420 0.000000\n0.000000 0.000000 5.906420\nK Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["K","Tl"],"chemical_system":"K-Tl","density":2.5923745510613614,"density_atomic":0.019412747838713815,"volume":206.05017039488928,"volume_molar":31.0215782435002,"formula_full":"K3 Tl1","formula_reduced":"K3Tl","formula_anonymous":"AB3","energy":-5.63942527,"energy_per_atom":-1.4098563175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.63942527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0151086,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.058000Z","spacegroup":221}]}