{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12183","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12181","results":[{"id":"mp-94","created_at":"2022-09-04T14:44:22.695964Z","structure_string":"Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n","nsites":2,"nelements":1,"elements":["Cd"],"chemical_system":"Cd","density":8.018924852597033,"density_atomic":0.04295940274785382,"volume":46.55558206287951,"volume_molar":14.01821341731958,"formula_full":"Cd2","formula_reduced":"Cd","formula_anonymous":"A","energy":-1.8185637,"energy_per_atom":-0.90928185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.8185637,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000265,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.181000Z","spacegroup":194},{"id":"mp-1093971","created_at":"2022-09-04T14:46:24.868291Z","structure_string":"Sr2 Li1 Hg1\n1.0\n-6.599712 7.196462 9.331368\n6.599712 -7.196462 9.331368\n6.599712 7.196462 -9.331368\nSr Li Hg\n2 1 1\ndirect\n0.251407 0.000000 0.251407 Sr\n0.748593 0.000000 0.748593 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Li","Hg"],"chemical_system":"Hg-Li-Sr","density":0.3585409751414802,"density_atomic":0.002256371795434683,"volume":1772.757489742249,"volume_molar":266.89487841430196,"formula_full":"Sr2 Li1 Hg1","formula_reduced":"Sr2LiHg","formula_anonymous":"ABC2","energy":-1.81841803,"energy_per_atom":-0.4546045075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.81841803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031251,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.663000Z","spacegroup":71},{"id":"mp-1097453","created_at":"2022-09-04T14:41:54.930994Z","structure_string":"Ba2 Na1 Cd1\n1.0\n-7.264480 7.392651 10.307039\n7.264480 -7.392651 10.307039\n7.264480 7.392651 -10.307039\nBa Na Cd\n2 1 1\ndirect\n0.735877 0.000000 0.735877 Ba\n0.264123 0.000000 0.264123 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Ba","Na","Cd"],"chemical_system":"Ba-Cd-Na","density":0.3075334198802796,"density_atomic":0.0018065972473044181,"volume":2214.10721507979,"volume_molar":333.3416326735523,"formula_full":"Ba2 Na1 Cd1","formula_reduced":"Ba2NaCd","formula_anonymous":"ABC2","energy":-1.80176149,"energy_per_atom":-0.4504403725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.80176149,"band_gap":0.1648,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9997139,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.740000Z","spacegroup":71},{"id":"mp-1097441","created_at":"2022-09-04T14:44:00.143731Z","structure_string":"Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n","nsites":4,"nelements":3,"elements":["Mg","In","Hg"],"chemical_system":"Hg-In-Mg","density":0.6944248110651797,"density_atomic":0.00309598426136157,"volume":1291.9962319966241,"volume_molar":194.51457926183215,"formula_full":"Mg1 In1 Hg2","formula_reduced":"MgInHg2","formula_anonymous":"ABC2","energy":-1.77012961,"energy_per_atom":-0.4425324025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.77012961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0000375,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.025000Z","spacegroup":71},{"id":"mp-1097282","created_at":"2022-09-04T14:39:40.260156Z","structure_string":"Li1 Cd1 Hg2\n1.0\n-5.757913 5.836900 8.247286\n5.757913 -5.836900 8.247286\n5.757913 5.836900 -8.247286\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.237947 0.237947 Hg\n0.000000 0.762053 0.762053 Hg\n","nsites":4,"nelements":3,"elements":["Li","Cd","Hg"],"chemical_system":"Cd-Hg-Li","density":0.779611312960708,"density_atomic":0.0036077928475945864,"volume":1108.7111064779976,"volume_molar":166.92035863464625,"formula_full":"Li1 Cd1 Hg2","formula_reduced":"LiCdHg2","formula_anonymous":"ABC2","energy":-1.7696006,"energy_per_atom":-0.44240015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.7696006,"band_gap":0.0521,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008699,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.454000Z","spacegroup":71},{"id":"mp-1096533","created_at":"2022-09-04T14:47:24.200500Z","structure_string":"Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Tl","Hg"],"chemical_system":"Hg-Mg-Tl","density":0.5380670646177989,"density_atomic":0.002857526370629769,"volume":1399.8121036126927,"volume_molar":210.74663813768348,"formula_full":"Mg2 Tl1 Hg1","formula_reduced":"Mg2TlHg","formula_anonymous":"ABC2","energy":-1.75022188,"energy_per_atom":-0.43755547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.75022188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998618,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.578000Z","spacegroup":71},{"id":"mp-605790","created_at":"2022-09-04T14:45:37.669797Z","structure_string":"Ba1\n1.0\n2.142620 -3.711126 0.000000\n2.142620 3.711126 0.000000\n0.000000 0.000000 3.975379\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n","nsites":1,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.6069958370046016,"density_atomic":0.015817600805873813,"volume":63.22071294330891,"volume_molar":38.072403229216015,"formula_full":"Ba1","formula_reduced":"Ba","formula_anonymous":"A","energy":-1.74350121,"energy_per_atom":-1.74350121,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.74350121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.24e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.098000Z","spacegroup":191},{"id":"mp-11832","created_at":"2022-09-04T14:39:58.717468Z","structure_string":"Cs2\n1.0\n2.756158 -4.773806 0.000000\n2.756158 4.773806 0.000000\n0.000000 0.000000 8.894133\nCs\n2\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n","nsites":2,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.8859032028740623,"density_atomic":0.008545303739618251,"volume":234.04668352834315,"volume_molar":70.47310363094279,"formula_full":"Cs2","formula_reduced":"Cs","formula_anonymous":"A","energy":-1.72060413,"energy_per_atom":-0.860302065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.72060413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043188,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.956000Z","spacegroup":194},{"id":"mp-1077098","created_at":"2022-09-04T14:43:41.639420Z","structure_string":"Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n","nsites":6,"nelements":1,"elements":["Hg"],"chemical_system":"Hg","density":8.858264989926415,"density_atomic":0.026594405841344038,"volume":225.6113573581823,"volume_molar":22.644389184427254,"formula_full":"Hg6","formula_reduced":"Hg","formula_anonymous":"A","energy":-1.71442074,"energy_per_atom":-0.28573679,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.71442074,"band_gap":1.0394,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003742,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.064000Z","spacegroup":14},{"id":"mp-1095981","created_at":"2022-09-04T14:42:22.932092Z","structure_string":"Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n","nsites":4,"nelements":3,"elements":["Na","Mg","Cd"],"chemical_system":"Cd-Mg-Na","density":0.32292717663534454,"density_atomic":0.0028586447189492066,"volume":1399.2644743451497,"volume_molar":210.6641906243475,"formula_full":"Na1 Mg1 Cd2","formula_reduced":"NaMgCd2","formula_anonymous":"ABC2","energy":-1.71110916,"energy_per_atom":-0.42777729,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.71110916,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0315417,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.610000Z","spacegroup":71},{"id":"mp-971767","created_at":"2022-09-04T14:46:22.711344Z","structure_string":"Zn1 Hg3\n1.0\n-2.193442 2.193442 5.052836\n2.193442 -2.193442 5.052836\n2.193442 2.193442 -5.052836\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Zn","Hg"],"chemical_system":"Hg-Zn","density":11.39315383633264,"density_atomic":0.041135093356619266,"volume":97.24057182323955,"volume_molar":14.639910277560961,"formula_full":"Zn1 Hg3","formula_reduced":"ZnHg3","formula_anonymous":"AB3","energy":-1.71103303,"energy_per_atom":-0.4277582575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.71103303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003372,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.332000Z","spacegroup":139},{"id":"mp-971757","created_at":"2022-09-04T14:40:19.831370Z","structure_string":"Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Zn","Hg"],"chemical_system":"Hg-Zn","density":10.860867411297363,"density_atomic":0.03921326801301141,"volume":102.00629028605202,"volume_molar":15.357405962700648,"formula_full":"Zn1 Hg3","formula_reduced":"ZnHg3","formula_anonymous":"AB3","energy":-1.68375966,"energy_per_atom":-0.420939915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.68375966,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.52e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.854000Z","spacegroup":225}]}