{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10240","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=10238","results":[{"id":"mp-1112156","created_at":"2022-09-04T14:44:04.294943Z","structure_string":"Cs2 Y1 Tl1 I6\n1.0\n0.000000 6.421373 6.421373\n6.421373 0.000000 6.421373\n6.421373 6.421373 0.000000\nCs Y Tl I\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 Y\n0.500000 0.500000 0.500000 Tl\n0.764086 0.235914 0.235914 I\n0.235914 0.235914 0.764086 I\n0.235914 0.764086 0.764086 I\n0.235914 0.764086 0.235914 I\n0.764086 0.235914 0.764086 I\n0.764086 0.764086 0.235914 I\n","nsites":10,"nelements":4,"elements":["Cs","Y","Tl","I"],"chemical_system":"Cs-I-Tl-Y","density":4.14078472705921,"density_atomic":0.01888366604768012,"volume":529.5581893235457,"volume_molar":31.890739567171213,"formula_full":"Cs2 Y1 Tl1 I6","formula_reduced":"Cs2YTlI6","formula_anonymous":"ABC2D6","energy":-35.29391982,"energy_per_atom":-3.529391982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.01991982,"band_gap":3.0866,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000926,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.856000Z","spacegroup":225},{"id":"mp-1112155","created_at":"2022-09-04T14:45:08.528755Z","structure_string":"Cs2 Rb1 Ga1 I6\n1.0\n0.000000 6.320919 6.320919\n6.320919 0.000000 6.320919\n6.320919 6.320919 0.000000\nCs Rb Ga I\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 Rb\n0.000000 0.000000 0.000000 Ga\n0.777072 0.222928 0.222928 I\n0.222928 0.222928 0.777072 I\n0.222928 0.777072 0.777072 I\n0.222928 0.777072 0.222928 I\n0.777072 0.222928 0.777072 I\n0.777072 0.777072 0.222928 I\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Ga","I"],"chemical_system":"Cs-Ga-I-Rb","density":3.887347135280233,"density_atomic":0.019798365117661903,"volume":505.0922104209055,"volume_molar":30.417363879342318,"formula_full":"Cs2 Rb1 Ga1 I6","formula_reduced":"Cs2RbGaI6","formula_anonymous":"ABC2D6","energy":-27.5696886,"energy_per_atom":-2.7569688599999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.2956886,"band_gap":0.9753,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0020645,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.590000Z","spacegroup":225},{"id":"mp-1112152","created_at":"2022-09-04T14:41:28.480451Z","structure_string":"K2 Hg1 Mo1 F6\n1.0\n6.900954 0.000000 0.000000\n3.450477 5.976401 0.000000\n3.450477 1.992134 5.634605\nK Hg Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Mo\n0.203126 0.796874 0.203126 F\n0.796874 0.796874 0.203126 F\n0.796874 0.203126 0.796874 F\n0.796874 0.203126 0.203126 F\n0.203126 0.796874 0.796874 F\n0.203126 0.203126 0.796874 F\n","nsites":10,"nelements":4,"elements":["K","Hg","Mo","F"],"chemical_system":"F-Hg-K-Mo","density":3.492160712695869,"density_atomic":0.043031616558165606,"volume":232.3872724252191,"volume_molar":13.99468865377136,"formula_full":"K2 Hg1 Mo1 F6","formula_reduced":"K2HgMoF6","formula_anonymous":"ABC2D6","energy":-49.25246262,"energy_per_atom":-4.925246262,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.27846262,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0004328,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.128000Z","spacegroup":225},{"id":"mp-1112149","created_at":"2022-09-04T14:39:59.988758Z","structure_string":"Cs2 Na1 In1 I6\n1.0\n0.000000 6.140822 6.140822\n6.140822 0.000000 6.140822\n6.140822 6.140822 0.000000\nCs Na In I\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 Na\n0.000000 0.000000 0.000000 In\n0.759639 0.240361 0.240361 I\n0.240361 0.240361 0.759639 I\n0.240361 0.759639 0.759639 I\n0.240361 0.759639 0.240361 I\n0.759639 0.240361 0.759639 I\n0.759639 0.759639 0.240361 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","In","I"],"chemical_system":"Cs-I-In-Na","density":4.177172970329832,"density_atomic":0.021591880973148753,"volume":463.13704732050934,"volume_molar":27.890764901348884,"formula_full":"Cs2 Na1 In1 I6","formula_reduced":"Cs2NaInI6","formula_anonymous":"ABC2D6","energy":-27.91816368,"energy_per_atom":-2.791816368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.64416368,"band_gap":0.6998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007985,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.476000Z","spacegroup":225},{"id":"mp-1112148","created_at":"2022-09-04T14:46:17.164862Z","structure_string":"Cs2 Na1 Mo1 I6\n1.0\n0.000000 6.018504 6.018504\n6.018504 0.000000 6.018504\n6.018504 6.018504 0.000000\nCs Na Mo I\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 Na\n0.000000 0.000000 0.000000 Mo\n0.765228 0.234772 0.234772 I\n0.234772 0.234772 0.765228 I\n0.234772 0.765228 0.765228 I\n0.234772 0.765228 0.234772 I\n0.765228 0.234772 0.765228 I\n0.765228 0.765228 0.234772 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Mo","I"],"chemical_system":"Cs-I-Mo-Na","density":4.365173684478725,"density_atomic":0.02293529570291901,"volume":436.0092030000418,"volume_molar":26.257087931216656,"formula_full":"Cs2 Na1 Mo1 I6","formula_reduced":"Cs2NaMoI6","formula_anonymous":"ABC2D6","energy":-34.67774259,"energy_per_atom":-3.467774259,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.40374259,"band_gap":1.0847,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.998789,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.542000Z","spacegroup":225},{"id":"mp-1112146","created_at":"2022-09-04T14:43:01.752387Z","structure_string":"Cs2 Na1 Pr1 Br6\n1.0\n0.000000 5.854102 5.854102\n5.854102 0.000000 5.854102\n5.854102 5.854102 0.000000\nCs Na Pr 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 Na\n0.000000 0.000000 0.000000 Pr\n0.751738 0.248262 0.248262 Br\n0.248262 0.248262 0.751738 Br\n0.248262 0.751738 0.751738 Br\n0.248262 0.751738 0.248262 Br\n0.751738 0.248262 0.751738 Br\n0.751738 0.751738 0.248262 Br\n","nsites":10,"nelements":4,"elements":["Cs","Na","Pr","Br"],"chemical_system":"Br-Cs-Na-Pr","density":3.762403286769731,"density_atomic":0.024922359068571143,"volume":401.24612491482424,"volume_molar":24.163606436416146,"formula_full":"Cs2 Na1 Pr1 Br6","formula_reduced":"Cs2NaPrBr6","formula_anonymous":"ABC2D6","energy":-39.25732739,"energy_per_atom":-3.925732739,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.05332739,"band_gap":4.1252,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007279,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.366000Z","spacegroup":225},{"id":"mp-1112145","created_at":"2022-09-04T14:48:21.061837Z","structure_string":"Cs2 Na1 Nd1 Br6\n1.0\n0.000000 5.835226 5.835226\n5.835226 0.000000 5.835226\n5.835226 5.835226 0.000000\nCs Na Nd 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 Na\n0.000000 0.000000 0.000000 Nd\n0.752467 0.247533 0.247533 Br\n0.247533 0.247533 0.752467 Br\n0.247533 0.752467 0.752467 Br\n0.247533 0.752467 0.247533 Br\n0.752467 0.247533 0.752467 Br\n0.752467 0.752467 0.247533 Br\n","nsites":10,"nelements":4,"elements":["Cs","Na","Nd","Br"],"chemical_system":"Br-Cs-Na-Nd","density":3.812967204268593,"density_atomic":0.025165001531284634,"volume":397.3772855752938,"volume_molar":23.930619485611366,"formula_full":"Cs2 Na1 Nd1 Br6","formula_reduced":"Cs2NaNdBr6","formula_anonymous":"ABC2D6","energy":-39.27178393,"energy_per_atom":-3.9271783929999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.06778393,"band_gap":4.1254,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007224,"is_theoretical":true,"updated_at":"2021-11-28T01:38:50.473000Z","spacegroup":225},{"id":"mp-1112144","created_at":"2022-09-04T14:41:11.016581Z","structure_string":"Cs2 Na1 Pr1 I6\n1.0\n0.000000 6.292482 6.292482\n6.292482 0.000000 6.292482\n6.292482 6.292482 0.000000\nCs Na Pr I\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 Na\n0.000000 0.000000 0.000000 Pr\n0.751351 0.248649 0.248649 I\n0.248649 0.248649 0.751351 I\n0.248649 0.751351 0.751351 I\n0.248649 0.751351 0.248649 I\n0.751351 0.248649 0.751351 I\n0.751351 0.751351 0.248649 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Pr","I"],"chemical_system":"Cs-I-Na-Pr","density":3.9693024690124297,"density_atomic":0.02006799844210755,"volume":498.30579909840753,"volume_molar":30.008676636948913,"formula_full":"Cs2 Na1 Pr1 I6","formula_reduced":"Cs2NaPrI6","formula_anonymous":"ABC2D6","energy":-33.91014859,"energy_per_atom":-3.3910148589999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.63614859,"band_gap":3.1147,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015798,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.094000Z","spacegroup":225},{"id":"mp-1112142","created_at":"2022-09-04T14:48:16.485800Z","structure_string":"Cs2 Na1 Sb1 Br6\n1.0\n0.000000 5.776707 5.776707\n5.776707 0.000000 5.776707\n5.776707 5.776707 0.000000\nCs Na 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 Na\n0.000000 0.000000 0.000000 Sb\n0.755790 0.244210 0.244210 Br\n0.244210 0.244210 0.755790 Br\n0.244210 0.755790 0.755790 Br\n0.244210 0.755790 0.244210 Br\n0.755790 0.244210 0.755790 Br\n0.755790 0.755790 0.244210 Br\n","nsites":10,"nelements":4,"elements":["Cs","Na","Sb","Br"],"chemical_system":"Br-Cs-Na-Sb","density":3.8331923121378653,"density_atomic":0.025937551926522247,"volume":385.54139682606575,"volume_molar":23.217845604935853,"formula_full":"Cs2 Na1 Sb1 Br6","formula_reduced":"Cs2NaSbBr6","formula_anonymous":"ABC2D6","energy":-33.49431953,"energy_per_atom":-3.349431953,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.29031953,"band_gap":2.556,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002911,"is_theoretical":true,"updated_at":"2021-11-28T01:38:45.715000Z","spacegroup":225},{"id":"mp-1112141","created_at":"2022-09-04T14:40:40.587918Z","structure_string":"Cs2 Na1 Sc1 I6\n1.0\n0.000000 6.083560 6.083560\n6.083560 0.000000 6.083560\n6.083560 6.083560 0.000000\nCs Na Sc I\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 Na\n0.000000 0.000000 0.000000 Sc\n0.761581 0.238419 0.238419 I\n0.238419 0.238419 0.761581 I\n0.238419 0.761581 0.761581 I\n0.238419 0.761581 0.238419 I\n0.761581 0.238419 0.761581 I\n0.761581 0.761581 0.238419 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Sc","I"],"chemical_system":"Cs-I-Na-Sc","density":4.038616071130141,"density_atomic":0.022207343858147804,"volume":450.3014887271641,"volume_molar":27.117789495525358,"formula_full":"Cs2 Na1 Sc1 I6","formula_reduced":"Cs2NaScI6","formula_anonymous":"ABC2D6","energy":-34.71994257,"energy_per_atom":-3.471994257,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.44594257,"band_gap":2.2294,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003352,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.986000Z","spacegroup":225},{"id":"mp-1112140","created_at":"2022-09-04T14:46:22.364621Z","structure_string":"Cs2 Na1 Sb1 I6\n1.0\n0.000000 6.202072 6.202072\n6.202072 0.000000 6.202072\n6.202072 6.202072 0.000000\nCs Na Sb I\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 Na\n0.000000 0.000000 0.000000 Sb\n0.755624 0.244376 0.244376 I\n0.244376 0.244376 0.755624 I\n0.244376 0.755624 0.755624 I\n0.244376 0.755624 0.244376 I\n0.755624 0.244376 0.755624 I\n0.755624 0.755624 0.244376 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Sb","I"],"chemical_system":"Cs-I-Na-Sb","density":4.0787930246009285,"density_atomic":0.020958470869846327,"volume":477.1340458042358,"volume_molar":28.733683852213957,"formula_full":"Cs2 Na1 Sb1 I6","formula_reduced":"Cs2NaSbI6","formula_anonymous":"ABC2D6","energy":-28.80734428,"energy_per_atom":-2.880734428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.53334428,"band_gap":1.8895,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005174,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.021000Z","spacegroup":225},{"id":"mp-1112139","created_at":"2022-09-04T14:45:23.302927Z","structure_string":"Cs2 Na1 Tl1 I6\n1.0\n0.000000 6.196986 6.196986\n6.196986 0.000000 6.196986\n6.196986 6.196986 0.000000\nCs Na Tl I\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 Na\n0.000000 0.000000 0.000000 Tl\n0.755321 0.244679 0.244679 I\n0.244679 0.244679 0.755321 I\n0.244679 0.755321 0.755321 I\n0.244679 0.755321 0.244679 I\n0.755321 0.244679 0.755321 I\n0.755321 0.755321 0.244679 I\n","nsites":10,"nelements":4,"elements":["Cs","Na","Tl","I"],"chemical_system":"Cs-I-Na-Tl","density":4.377101082603599,"density_atomic":0.021010116439844576,"volume":475.96118891733164,"volume_molar":28.663052759571233,"formula_full":"Cs2 Na1 Tl1 I6","formula_reduced":"Cs2NaTlI6","formula_anonymous":"ABC2D6","energy":-26.45197828,"energy_per_atom":-2.6451978279999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.177978280000005,"band_gap":0.0817,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010778,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.685000Z","spacegroup":225}]}