{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10260","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10258","results":[{"id":"mp-1201873","created_at":"2022-09-04T14:48:27.471212Z","structure_string":"Sr2 Pb4 I12 O14\n1.0\n-5.692952 5.692952 6.700760\n5.692952 -5.692952 6.700760\n5.692952 5.692952 -6.700760\nSr Pb I O\n2 4 12 14\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.375000 0.125000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.071538 0.571538 0.500000 I\n0.678462 0.678462 0.000000 I\n0.428462 0.928462 0.500000 I\n0.321538 0.321538 0.000000 I\n0.547591 0.452409 0.500000 I\n0.952409 0.047591 0.500000 I\n0.797591 0.202409 0.000000 I\n0.202409 0.797591 0.000000 I\n0.547591 0.047591 0.095182 I\n0.952409 0.452409 0.904818 I\n0.797591 0.797591 0.595182 I\n0.202409 0.202409 0.404818 I\n0.930790 0.430790 0.500000 O\n0.819210 0.819210 0.000000 O\n0.569210 0.069210 0.500000 O\n0.180790 0.180790 0.000000 O\n0.538936 0.255376 0.283560 O\n0.971816 0.255376 0.716440 O\n0.778184 0.994624 0.783560 O\n0.211064 0.994624 0.216440 O\n0.744624 0.461064 0.716440 O\n0.744624 0.028184 0.283560 O\n0.005376 0.221816 0.216440 O\n0.005376 0.788936 0.783560 O\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Sr","Pb","I","O"],"chemical_system":"I-O-Pb-Sr","density":5.258507188017803,"density_atomic":0.036837561988193844,"volume":868.6785518068691,"volume_molar":16.347826606793493,"formula_full":"Sr2 Pb4 I12 O14","formula_reduced":"SrPb2I6O7","formula_anonymous":"AB2C6D7","energy":-116.9310755,"energy_per_atom":-3.654096109375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.3130755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005573,"is_theoretical":true,"updated_at":"2021-11-28T01:39:18.494000Z","spacegroup":141},{"id":"mp-21162","created_at":"2022-09-04T14:39:24.612237Z","structure_string":"Sr1 Pb3\n1.0\n5.051975 0.000000 0.000000\n0.000000 5.051975 0.000000\n0.000000 0.000000 5.051975\nSr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n","nsites":4,"nelements":2,"elements":["Sr","Pb"],"chemical_system":"Pb-Sr","density":9.133694752070644,"density_atomic":0.031022472843321436,"volume":128.93878641467248,"volume_molar":19.412188030318333,"formula_full":"Sr1 Pb3","formula_reduced":"SrPb3","formula_anonymous":"AB3","energy":-14.11951311,"energy_per_atom":-3.5298782775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.11951311,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019031,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.444000Z","spacegroup":221},{"id":"mp-1218031","created_at":"2022-09-04T14:39:58.984421Z","structure_string":"Sr1 Pb3 S4\n1.0\n13.945271 -2.137741 0.000000\n13.945271 2.137741 0.000000\n13.617566 0.000000 3.688146\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249808 0.249808 0.249808 Pb\n0.500000 0.500000 0.500000 Pb\n0.750192 0.750192 0.750192 Pb\n0.125090 0.125090 0.125090 S\n0.374800 0.374800 0.374800 S\n0.625200 0.625200 0.625200 S\n0.874910 0.874910 0.874910 S\n","nsites":8,"nelements":3,"elements":["Sr","Pb","S"],"chemical_system":"Pb-S-Sr","density":6.324167969719565,"density_atomic":0.03638059866905098,"volume":219.8974258993052,"volume_molar":16.55316564409107,"formula_full":"Sr1 Pb3 S4","formula_reduced":"SrPb3S4","formula_anonymous":"AB3C4","energy":-38.82134712,"energy_per_atom":-4.85266839,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.80934712,"band_gap":0.9832,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0091312,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.758000Z","spacegroup":166},{"id":"mp-1095778","created_at":"2022-09-04T14:45:01.022691Z","structure_string":"Sr1 Pb1 Au2\n1.0\n-5.731583 6.793039 8.357529\n5.731583 -6.793039 8.357529\n5.731583 6.793039 -8.357529\nSr Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.251013 0.251013 Au\n0.000000 0.748987 0.748987 Au\n","nsites":4,"nelements":3,"elements":["Sr","Pb","Au"],"chemical_system":"Au-Pb-Sr","density":0.8786908633089265,"density_atomic":0.003073147560861458,"volume":1301.5971152646925,"volume_molar":195.9600260233481,"formula_full":"Sr1 Pb1 Au2","formula_reduced":"SrPbAu2","formula_anonymous":"ABC2","energy":-8.83870893,"energy_per_atom":-2.2096772325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.83870893,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001302,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.385000Z","spacegroup":71},{"id":"mp-504677","created_at":"2022-09-04T14:43:51.874503Z","structure_string":"Sr2 Pb2 F12\n1.0\n5.457346 0.000000 0.000000\n0.000000 5.457346 0.000000\n0.000000 0.000000 8.609990\nSr Pb F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.750000 Pb\n0.500000 0.500000 0.250000 Pb\n0.230232 0.230232 0.250000 F\n0.230232 0.230232 0.750000 F\n0.230232 0.769768 0.750000 F\n0.500000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.230232 0.769768 0.250000 F\n0.769768 0.230232 0.750000 F\n0.769768 0.230232 0.250000 F\n0.769768 0.769768 0.750000 F\n0.769768 0.769768 0.250000 F\n","nsites":16,"nelements":3,"elements":["Sr","Pb","F"],"chemical_system":"F-Pb-Sr","density":5.294627652434949,"density_atomic":0.06239565629108192,"volume":256.4281065553412,"volume_molar":9.651538453103397,"formula_full":"Sr2 Pb2 F12","formula_reduced":"SrPbF6","formula_anonymous":"ABC6","energy":-78.53518391,"energy_per_atom":-4.908448994375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.99118391,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001396,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.485000Z","spacegroup":131},{"id":"mp-1246885","created_at":"2022-09-04T14:48:08.244484Z","structure_string":"Sr1 Pb2 N2\n1.0\n3.618663 0.000000 -0.000060\n-1.809331 3.133854 0.000000\n0.000156 0.000090 9.512827\nSr Pb N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666666 0.333333 0.193662 Pb\n0.333334 0.666667 0.806338 Pb\n0.666668 0.333334 0.671397 N\n0.333332 0.666666 0.328603 N\n","nsites":5,"nelements":3,"elements":["Sr","Pb","N"],"chemical_system":"N-Pb-Sr","density":8.158603671137103,"density_atomic":0.0463482676088143,"volume":107.8788972697034,"volume_molar":12.993238087834671,"formula_full":"Sr1 Pb2 N2","formula_reduced":"Sr(PbN)2","formula_anonymous":"AB2C2","energy":-27.06414807,"energy_per_atom":-5.4128296140000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.34214807,"band_gap":0.2680999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010114,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.896000Z","spacegroup":164},{"id":"mp-20489","created_at":"2022-09-04T14:40:18.856600Z","structure_string":"Sr4 Pb4 O12\n1.0\n5.949291 0.000000 0.000000\n0.000000 6.109614 0.000000\n0.000000 0.000000 8.469878\nSr Pb O\n4 4 12\ndirect\n0.486774 0.051540 0.750000 Sr\n0.986774 0.448460 0.250000 Sr\n0.513226 0.948460 0.250000 Sr\n0.013226 0.551540 0.750000 Sr\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.602073 0.458386 0.750000 O\n0.300850 0.797487 0.946414 O\n0.102073 0.041614 0.250000 O\n0.199150 0.297487 0.946414 O\n0.300850 0.797487 0.553586 O\n0.897927 0.958386 0.750000 O\n0.800850 0.702513 0.053586 O\n0.699150 0.202513 0.053586 O\n0.397927 0.541614 0.250000 O\n0.800850 0.702513 0.446414 O\n0.699150 0.202513 0.446414 O\n0.199150 0.297487 0.553586 O\n","nsites":20,"nelements":3,"elements":["Sr","Pb","O"],"chemical_system":"O-Pb-Sr","density":7.396339188472635,"density_atomic":0.06496416426706499,"volume":307.86203787338553,"volume_molar":9.269942633669894,"formula_full":"Sr4 Pb4 O12","formula_reduced":"SrPbO3","formula_anonymous":"ABC3","energy":-124.10684461,"energy_per_atom":-6.2053422304999994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.86284461,"band_gap":0.7941000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000365,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.432000Z","spacegroup":62},{"id":"mp-1218019","created_at":"2022-09-04T14:45:29.859116Z","structure_string":"Sr1 Pb1 S2\n1.0\n7.101774 -2.138472 0.000000\n7.101774 2.138472 0.000000\n6.457842 0.000000 3.647539\nSr Pb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n0.249090 0.249090 0.249090 S\n0.750910 0.750910 0.750910 S\n","nsites":4,"nelements":3,"elements":["Sr","Pb","S"],"chemical_system":"Pb-S-Sr","density":5.3800052505708935,"density_atomic":0.03610435873483599,"volume":110.78994725754602,"volume_molar":16.679816429447953,"formula_full":"Sr1 Pb1 S2","formula_reduced":"SrPbS2","formula_anonymous":"ABC2","energy":-19.99372492,"energy_per_atom":-4.99843123,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.98772492,"band_gap":1.7689,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.378000Z","spacegroup":166},{"id":"mp-999143","created_at":"2022-09-04T14:43:37.293157Z","structure_string":"Sr2 Pd2\n1.0\n2.134984 -5.722146 0.000000\n2.134984 5.722146 0.000000\n0.000000 0.000000 4.551034\nSr Pd\n2 2\ndirect\n0.861076 0.138924 0.750000 Sr\n0.138924 0.861076 0.250000 Sr\n0.572300 0.427700 0.750000 Pd\n0.427700 0.572300 0.250000 Pd\n","nsites":4,"nelements":2,"elements":["Sr","Pd"],"chemical_system":"Pd-Sr","density":5.795310695068505,"density_atomic":0.03597214673850415,"volume":111.19714453178432,"volume_molar":16.74112141201174,"formula_full":"Sr2 Pd2","formula_reduced":"SrPd","formula_anonymous":"AB","energy":-16.16506894,"energy_per_atom":-4.041267235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.16506894,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19.581000Z","spacegroup":63},{"id":"mp-1558","created_at":"2022-09-04T14:40:31.310755Z","structure_string":"Sr2 Pd4\n1.0\n0.000000 3.972151 3.972151\n3.972151 0.000000 3.972151\n3.972151 3.972151 0.000000\nSr Pd\n2 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.625000 0.625000 0.125000 Pd\n0.625000 0.125000 0.625000 Pd\n0.125000 0.625000 0.625000 Pd\n0.625000 0.625000 0.625000 Pd\n","nsites":6,"nelements":2,"elements":["Sr","Pd"],"chemical_system":"Pd-Sr","density":7.960832959085343,"density_atomic":0.047867859278799225,"volume":125.34506640570434,"volume_molar":12.580760557778312,"formula_full":"Sr2 Pd4","formula_reduced":"SrPd2","formula_anonymous":"AB2","energy":-27.91280126,"energy_per_atom":-4.652133543333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.91280126,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003711,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.691000Z","spacegroup":227},{"id":"mp-1187228","created_at":"2022-09-04T14:40:24.347573Z","structure_string":"Sr2 Pd6\n1.0\n3.127416 -5.416844 0.000000\n3.127416 5.416844 0.000000\n0.000000 0.000000 4.715195\nSr Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.149929 0.299858 0.250000 Pd\n0.700142 0.850071 0.250000 Pd\n0.149929 0.850071 0.250000 Pd\n0.850071 0.700142 0.750000 Pd\n0.299858 0.149929 0.750000 Pd\n0.850071 0.149929 0.750000 Pd\n","nsites":8,"nelements":2,"elements":["Sr","Pd"],"chemical_system":"Pd-Sr","density":8.45831393356891,"density_atomic":0.050075852455587946,"volume":159.75763981442282,"volume_molar":12.026037430597931,"formula_full":"Sr2 Pd6","formula_reduced":"SrPd3","formula_anonymous":"AB3","energy":-37.29298104,"energy_per_atom":-4.66162263,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.29298104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028189,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.042000Z","spacegroup":194},{"id":"mp-7561","created_at":"2022-09-04T14:47:05.929072Z","structure_string":"Sr2 Pd6 O8\n1.0\n5.923383 0.000000 0.000000\n0.000000 5.923383 0.000000\n0.000000 0.000000 5.923383\nSr Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n","nsites":16,"nelements":3,"elements":["Sr","Pd","O"],"chemical_system":"O-Pd-Sr","density":7.524500589697134,"density_atomic":0.07698578435758009,"volume":207.83057720999403,"volume_molar":7.822406188691452,"formula_full":"Sr2 Pd6 O8","formula_reduced":"SrPd3O4","formula_anonymous":"AB3C4","energy":-97.71004244,"energy_per_atom":-6.1068776525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.21404244,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.72e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.915000Z","spacegroup":223}]}