{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10169","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=10167","results":[{"id":"mp-867828","created_at":"2022-09-04T14:40:16.835087Z","structure_string":"Be1 Nb1 Ru2\n1.0\n0.000000 3.026837 3.026837\n3.026837 0.000000 3.026837\n3.026837 3.026837 0.000000\nBe Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Be","Nb","Ru"],"chemical_system":"Be-Nb-Ru","density":9.103517609590318,"density_atomic":0.07212119154209137,"volume":55.46220069957552,"volume_molar":8.350029486805356,"formula_full":"Be1 Nb1 Ru2","formula_reduced":"BeNbRu2","formula_anonymous":"ABC2","energy":-33.49308192,"energy_per_atom":-8.37327048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.49308192,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035173,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.877000Z","spacegroup":225},{"id":"mp-1220340","created_at":"2022-09-04T14:41:57.037230Z","structure_string":"Nd2 Ge3 Pd1\n1.0\n4.195079 0.000000 0.000000\n0.000000 4.348099 0.000000\n0.000000 0.000000 7.381423\nNd Ge Pd\n2 3 1\ndirect\n0.000000 0.500000 0.996938 Nd\n0.000000 0.000000 0.501232 Nd\n0.500000 0.000000 0.835499 Ge\n0.500000 0.000000 0.173233 Ge\n0.500000 0.500000 0.662231 Ge\n0.500000 0.500000 0.330867 Pd\n","nsites":6,"nelements":3,"elements":["Nd","Ge","Pd"],"chemical_system":"Ge-Nd-Pd","density":7.557970656603963,"density_atomic":0.04456270952483691,"volume":134.64172318013823,"volume_molar":13.51385681932912,"formula_full":"Nd2 Ge3 Pd1","formula_reduced":"Nd2Ge3Pd","formula_anonymous":"AB2C3","energy":-33.49127025,"energy_per_atom":-5.581878375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.49127025,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.163000Z","spacegroup":25},{"id":"mp-1025440","created_at":"2022-09-04T14:47:06.728856Z","structure_string":"Cu2 Ge6\n1.0\n2.172719 -3.763260 0.000000\n2.172719 3.763260 0.000000\n0.000000 0.000000 8.934916\nCu Ge\n2 6\ndirect\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.575610 Ge\n0.666667 0.333333 0.424390 Ge\n0.666667 0.333333 0.075610 Ge\n0.333333 0.666667 0.924390 Ge\n0.000000 0.000000 0.250000 Ge\n0.000000 0.000000 0.750000 Ge\n","nsites":8,"nelements":2,"elements":["Cu","Ge"],"chemical_system":"Cu-Ge","density":6.397595510938242,"density_atomic":0.05475221974338413,"volume":146.11279757231512,"volume_molar":10.99889792272335,"formula_full":"Cu2 Ge6","formula_reduced":"CuGe3","formula_anonymous":"AB3","energy":-33.49079382,"energy_per_atom":-4.1863492275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.49079382,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025021,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.625000Z","spacegroup":194},{"id":"mp-1113536","created_at":"2022-09-04T14:45:30.516571Z","structure_string":"Cs2 Tl1 Au1 Cl6\n1.0\n0.000000 5.400225 5.400225\n5.400225 0.000000 5.400225\n5.400225 5.400225 0.000000\nCs Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.740554 0.259446 0.259446 Cl\n0.259446 0.259446 0.740554 Cl\n0.259446 0.740554 0.740554 Cl\n0.259446 0.740554 0.259446 Cl\n0.740554 0.259446 0.740554 Cl\n0.740554 0.740554 0.259446 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Tl","Au","Cl"],"chemical_system":"Au-Cl-Cs-Tl","density":4.638807782065763,"density_atomic":0.03174932081034215,"volume":314.96736764027276,"volume_molar":18.967778227363915,"formula_full":"Cs2 Tl1 Au1 Cl6","formula_reduced":"Cs2TlAuCl6","formula_anonymous":"ABC2D6","energy":-33.49055545,"energy_per_atom":-3.349055545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.806555450000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003773,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.151000Z","spacegroup":225},{"id":"mp-1406711","created_at":"2022-09-04T14:40:09.204668Z","structure_string":"Ca2 Ni4 O8\n1.0\n6.078134 0.000000 0.000000\n-2.866237 5.361902 0.000000\n-0.328813 -3.444257 5.020033\nCa Ni O\n2 4 8\ndirect\n0.249711 0.877498 0.877454 Ca\n0.750289 0.122502 0.122546 Ca\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500149 0.688656 0.237822 O\n0.072111 0.306159 0.688783 O\n0.427230 0.233706 0.258584 O\n0.004645 0.738280 0.689382 O\n0.572770 0.766294 0.741416 O\n0.927889 0.693841 0.311217 O\n0.995355 0.261720 0.310618 O\n0.499851 0.311344 0.762178 O\n","nsites":14,"nelements":3,"elements":["Ca","Ni","O"],"chemical_system":"Ca-Ni-O","density":4.495555676297741,"density_atomic":0.08557212583493386,"volume":163.60467691319943,"volume_molar":7.037502809754352,"formula_full":"Ca2 Ni4 O8","formula_reduced":"Ca(NiO2)2","formula_anonymous":"AB2C4","energy":-33.48917232,"energy_per_atom":-2.3920837371428574,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.82917232,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9270282,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.369000Z","spacegroup":2},{"id":"mp-669913","created_at":"2022-09-04T14:44:17.598372Z","structure_string":"Sr4 Pb6\n1.0\n8.418496 0.000000 0.000000\n0.000000 8.418496 0.000000\n0.000000 0.000000 4.999754\nSr Pb\n4 6\ndirect\n0.673076 0.173076 0.000000 Sr\n0.173076 0.326924 0.000000 Sr\n0.826924 0.673076 0.000000 Sr\n0.326924 0.826924 0.000000 Sr\n0.128900 0.628900 0.500000 Pb\n0.871100 0.371100 0.500000 Pb\n0.628900 0.871100 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.371100 0.128900 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n","nsites":10,"nelements":2,"elements":["Sr","Pb"],"chemical_system":"Pb-Sr","density":7.4684858696581955,"density_atomic":0.028221646244349873,"volume":354.33794022565405,"volume_molar":21.33872952647355,"formula_full":"Sr4 Pb6","formula_reduced":"Sr2Pb3","formula_anonymous":"A2B3","energy":-33.48543241,"energy_per_atom":-3.3485432410000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.48543241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009285,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.670000Z","spacegroup":127},{"id":"mp-20899","created_at":"2022-09-04T14:47:06.259340Z","structure_string":"U1 Ga3 Pd2\n1.0\n2.667764 -4.620702 0.000000\n2.667764 4.620702 0.000000\n0.000000 0.000000 4.307727\nU Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["U","Ga","Pd"],"chemical_system":"Ga-Pd-U","density":10.320112735627264,"density_atomic":0.05649600178980035,"volume":106.20220564144816,"volume_molar":10.659410523254449,"formula_full":"U1 Ga3 Pd2","formula_reduced":"UGa3Pd2","formula_anonymous":"AB2C3","energy":-33.48471722,"energy_per_atom":-5.580786203333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.48471722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.294485,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.519000Z","spacegroup":191},{"id":"mp-1112892","created_at":"2022-09-04T14:40:00.125437Z","structure_string":"Cs2 In1 Bi1 Br6\n1.0\n0.000000 5.975294 5.975294\n5.975294 0.000000 5.975294\n5.975294 5.975294 0.000000\nCs In Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.758464 0.241536 0.241536 Br\n0.241536 0.241536 0.758464 Br\n0.241536 0.758464 0.758464 Br\n0.241536 0.758464 0.241536 Br\n0.758464 0.241536 0.758464 Br\n0.758464 0.758464 0.241536 Br\n","nsites":10,"nelements":4,"elements":["Cs","In","Bi","Br"],"chemical_system":"Bi-Br-Cs-In","density":4.160375222103025,"density_atomic":0.023436468369619875,"volume":426.6854477512814,"volume_molar":25.69559826601842,"formula_full":"Cs2 In1 Bi1 Br6","formula_reduced":"Cs2InBiBr6","formula_anonymous":"ABC2D6","energy":-33.48455591,"energy_per_atom":-3.3484555909999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.280555910000004,"band_gap":0.8533999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003258,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.892000Z","spacegroup":225},{"id":"mp-552537","created_at":"2022-09-04T14:45:07.318973Z","structure_string":"Sr2 Cu1 Br1 O2\n1.0\n9.621541 -2.037541 0.000000\n9.621541 2.037541 0.000000\n9.190054 0.000000 3.502647\nSr Cu Br O\n2 1 1 2\ndirect\n0.252999 0.252999 0.252999 Sr\n0.747001 0.747001 0.747001 Sr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n0.436388 0.436388 0.436388 O\n0.563612 0.563612 0.563612 O\n","nsites":6,"nelements":4,"elements":["Sr","Cu","Br","O"],"chemical_system":"Br-Cu-O-Sr","density":4.2402712131238625,"density_atomic":0.04368917989083036,"volume":137.333774975696,"volume_molar":13.784055400096783,"formula_full":"Sr2 Cu1 Br1 O2","formula_reduced":"Sr2CuBrO2","formula_anonymous":"ABC2D2","energy":-33.48367882,"energy_per_atom":-5.580613136666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.57567882,"band_gap":2.3439,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002904,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.562000Z","spacegroup":166},{"id":"mp-1110743","created_at":"2022-09-04T14:44:25.215130Z","structure_string":"Rb2 Na1 Bi1 Br6\n1.0\n0.000000 5.778543 5.778543\n5.778543 0.000000 5.778543\n5.778543 5.778543 0.000000\nRb Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.752171 0.247829 0.247829 Br\n0.247829 0.247829 0.752171 Br\n0.247829 0.752171 0.752171 Br\n0.247829 0.752171 0.247829 Br\n0.752171 0.247829 0.752171 Br\n0.752171 0.752171 0.247829 Br\n","nsites":10,"nelements":4,"elements":["Rb","Na","Bi","Br"],"chemical_system":"Bi-Br-Na-Rb","density":3.7966012471250052,"density_atomic":0.025912836587545684,"volume":385.9091213814174,"volume_molar":23.23999049526821,"formula_full":"Rb2 Na1 Bi1 Br6","formula_reduced":"Rb2NaBiBr6","formula_anonymous":"ABC2D6","energy":-33.48288062,"energy_per_atom":-3.3482880620000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.278880619999995,"band_gap":3.136,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027725,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.104000Z","spacegroup":225},{"id":"mp-3668","created_at":"2022-09-04T14:44:49.552443Z","structure_string":"Cd2 Ge2 P4\n1.0\n-2.905468 2.905468 5.486024\n2.905468 -2.905468 5.486024\n2.905468 2.905468 -5.486024\nCd Ge P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.592373 0.625000 0.467373 P\n0.375000 0.842373 0.967373 P\n0.157627 0.125000 0.532627 P\n0.875000 0.407627 0.032627 P\n","nsites":8,"nelements":3,"elements":["Cd","Ge","P"],"chemical_system":"Cd-Ge-P","density":4.428162639132526,"density_atomic":0.04318571349882999,"volume":185.24644730523534,"volume_molar":13.944752262025625,"formula_full":"Cd2 Ge2 P4","formula_reduced":"CdGeP2","formula_anonymous":"ABC2","energy":-33.48056809,"energy_per_atom":-4.18507101125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.48056809,"band_gap":0.6455000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.71e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.444000Z","spacegroup":122},{"id":"mp-1111879","created_at":"2022-09-04T14:42:27.473661Z","structure_string":"Cs2 Cu1 Sb1 Br6\n1.0\n0.000000 5.538944 5.538944\n5.538944 0.000000 5.538944\n5.538944 5.538944 0.000000\nCs Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.742702 0.257298 0.257298 Br\n0.257298 0.257298 0.742702 Br\n0.257298 0.742702 0.742702 Br\n0.257298 0.742702 0.257298 Br\n0.742702 0.257298 0.742702 Br\n0.742702 0.742702 0.257298 Br\n","nsites":10,"nelements":4,"elements":["Cs","Cu","Sb","Br"],"chemical_system":"Br-Cs-Cu-Sb","density":4.546462851936821,"density_atomic":0.02942314427246387,"volume":339.86850308716544,"volume_molar":20.467359654814043,"formula_full":"Cs2 Cu1 Sb1 Br6","formula_reduced":"Cs2CuSbBr6","formula_anonymous":"ABC2D6","energy":-33.47863753,"energy_per_atom":-3.347863753,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.27463753,"band_gap":0.4006000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007288,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.428000Z","spacegroup":225}]}