{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=548","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=546","results":[{"id":"jvasp-109488","created_at":"2022-09-04T14:38:49.267057Z","updated_at":"2022-09-04T14:38:49.267078Z","structure_string":"K1 Rb2 Gd1 Cl6\n1.0\n6.798114 -0.000000 3.924893\n2.266038 6.409323 3.924893\n-0.000000 -0.000000 7.849786\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.761805 0.238194 0.238194 Cl\n0.238194 0.238194 0.761806 Cl\n0.238195 0.761805 0.761806 Cl\n0.238195 0.761805 0.238194 Cl\n0.761805 0.238194 0.761806 Cl\n0.761806 0.761805 0.238194 Cl\n","nsites":10,"nelements":4,"elements":["K","Rb","Gd","Cl"],"chemical_system":"Cl-Gd-K-Rb","density":2.815918589184606,"density_atomic":0.029237590633117896,"volume":342.0254468120515,"volume_molar":20.597253842040672,"formula_full":"K1 Rb2 Gd1 Cl6","formula_reduced":"KRb2GdCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.2926045904999996,"spacegroup":225},{"id":"jvasp-109489","created_at":"2022-09-04T14:38:20.477941Z","updated_at":"2022-09-04T14:38:20.477965Z","structure_string":"Rb2 Li1 Sb1 Br6\n1.0\n6.710446 -0.000000 3.874278\n2.236815 6.326669 3.874278\n-0.000000 -0.000000 7.748556\nRb Li Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744553 0.255448 0.255448 Br\n0.255448 0.255448 0.744553 Br\n0.255448 0.744553 0.744553 Br\n0.255448 0.744553 0.255448 Br\n0.744553 0.255448 0.744553 Br\n0.744553 0.744553 0.255448 Br\n","nsites":10,"nelements":4,"elements":["Rb","Li","Sb","Br"],"chemical_system":"Br-Li-Rb-Sb","density":3.9325392230429728,"density_atomic":0.030398539925610302,"volume":328.9631681150302,"volume_molar":19.81062503244256,"formula_full":"Rb2 Li1 Sb1 Br6","formula_reduced":"Rb2LiSbBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-109490","created_at":"2022-09-04T14:38:27.177279Z","updated_at":"2022-09-04T14:38:27.177310Z","structure_string":"Rb2 Li1 Ru1 F6\n1.0\n5.058136 -0.000000 2.920316\n1.686045 4.768856 2.920316\n-0.000000 -0.000000 5.840632\nRb Li Ru F\n2 1 1 6\ndirect\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.754410 0.245591 0.245591 F\n0.245591 0.245591 0.754409 F\n0.245591 0.754410 0.754409 F\n0.245591 0.754410 0.245591 F\n0.754410 0.245591 0.754409 F\n0.754410 0.754410 0.245591 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Ru","F"],"chemical_system":"F-Li-Rb-Ru","density":4.631348790459407,"density_atomic":0.07097991019330434,"volume":140.88493452254772,"volume_molar":8.484289066581658,"formula_full":"Rb2 Li1 Ru1 F6","formula_reduced":"Rb2LiRuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0313332195,"spacegroup":225},{"id":"jvasp-109491","created_at":"2022-09-04T14:38:18.505640Z","updated_at":"2022-09-04T14:38:18.505671Z","structure_string":"Ba1 Au1 O2\n1.0\n4.328455 -0.000000 0.000000\n0.000000 4.328455 0.000000\n0.000000 -0.000000 3.709952\nBa Au O\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Au\n0.499999 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n","nsites":4,"nelements":3,"elements":["Ba","Au","O"],"chemical_system":"Au-Ba-O","density":8.75070139108003,"density_atomic":0.05754742386568588,"volume":69.50788986377377,"volume_molar":10.464657417255571,"formula_full":"Ba1 Au1 O2","formula_reduced":"BaAuO2","formula_anonymous":"ABC2","energy_above_hull":0.851097635,"spacegroup":123},{"id":"jvasp-109492","created_at":"2022-09-04T14:38:18.961814Z","updated_at":"2022-09-04T14:38:18.961825Z","structure_string":"K1 Ni1 Te1 O6\n1.0\n5.055826 0.000000 0.000000\n-2.527912 4.378474 0.000000\n0.000000 0.000000 5.960764\nK Ni Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 Te\n0.372441 0.987921 0.681973 O\n0.012078 0.384518 0.681973 O\n0.615482 0.627559 0.681973 O\n0.012078 0.627559 0.318027 O\n0.615482 0.987921 0.318027 O\n0.372441 0.384518 0.318027 O\n","nsites":9,"nelements":4,"elements":["K","Ni","Te","O"],"chemical_system":"K-Ni-O-Te","density":4.04447418753308,"density_atomic":0.06820648797928455,"volume":131.9522565468178,"volume_molar":8.829278472495204,"formula_full":"K1 Ni1 Te1 O6","formula_reduced":"KNiTeO6","formula_anonymous":"ABCD6","energy_above_hull":1.9197765740740744,"spacegroup":149},{"id":"jvasp-109495","created_at":"2022-09-04T14:38:01.775822Z","updated_at":"2022-09-04T14:38:01.775850Z","structure_string":"Y2 O4\n1.0\n4.583272 -0.214188 0.332644\n-1.320139 4.394257 0.332644\n-0.318597 -0.408122 4.229569\nY O\n2 4\ndirect\n0.166506 0.833494 0.749999 Y\n0.833493 0.166506 0.249999 Y\n0.077086 0.322981 0.749892 O\n0.677018 0.922914 0.750106 O\n0.922912 0.677019 0.250106 O\n0.322980 0.077087 0.249892 O\n","nsites":6,"nelements":2,"elements":["Y","O"],"chemical_system":"O-Y","density":4.708541840266205,"density_atomic":0.07035834042668725,"volume":85.27773627992185,"volume_molar":8.559242192864136,"formula_full":"Y2 O4","formula_reduced":"YO2","formula_anonymous":"AB2","energy_above_hull":1.3262741500000006,"spacegroup":63},{"id":"jvasp-109496","created_at":"2022-09-04T14:38:17.175558Z","updated_at":"2022-09-04T14:38:17.175583Z","structure_string":"Rb8\n1.0\n11.743670 -0.107381 3.591959\n9.235135 7.255178 3.591959\n0.220396 0.075092 7.801862\nRb\n8\ndirect\n0.187556 0.687452 0.562538 Rb\n0.312549 0.812444 0.937462 Rb\n0.562346 0.062628 0.687424 Rb\n0.812444 0.312549 0.437462 Rb\n0.437654 0.937372 0.312575 Rb\n0.937372 0.437654 0.812575 Rb\n0.687451 0.187556 0.062538 Rb\n0.062628 0.562346 0.187425 Rb\n","nsites":8,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.7048550356953074,"density_atomic":0.012012567310612862,"volume":665.9692131699575,"volume_molar":50.13200429419913,"formula_full":"Rb8","formula_reduced":"Rb","formula_anonymous":"A","energy_above_hull":0.0,"spacegroup":229},{"id":"jvasp-109497","created_at":"2022-09-04T14:38:07.081247Z","updated_at":"2022-09-04T14:38:07.081279Z","structure_string":"Pb4 O6\n1.0\n8.222548 0.000000 0.000000\n-0.000000 3.280779 0.859629\n-0.000000 0.220215 5.843794\nPb O\n4 6\ndirect\n0.500000 0.000000 -0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.750000 0.730480 0.538076 Pb\n0.250000 0.269522 0.461924 Pb\n0.750000 0.077639 0.844610 O\n0.250000 0.922363 0.155389 O\n0.538888 0.372057 0.256190 O\n0.038888 0.627945 0.743809 O\n0.461112 0.627945 0.743809 O\n0.961112 0.372057 0.256190 O\n","nsites":10,"nelements":2,"elements":["Pb","O"],"chemical_system":"O-Pb","density":9.838443610989929,"density_atomic":0.06406652567546657,"volume":156.08775245056512,"volume_molar":9.399824161693381,"formula_full":"Pb4 O6","formula_reduced":"Pb2O3","formula_anonymous":"A2B3","energy_above_hull":1.4233804279999998,"spacegroup":63},{"id":"jvasp-109498","created_at":"2022-09-04T14:38:19.287750Z","updated_at":"2022-09-04T14:38:19.287775Z","structure_string":"Li4 C1 O4\n1.0\n3.796987 0.006950 -3.113151\n-0.828196 3.693434 -3.127540\n-0.019763 -0.006950 4.910034\nLi C O\n4 1 4\ndirect\n0.843793 0.445081 0.001172 Li\n0.556091 0.554918 0.398711 Li\n0.443909 0.842620 0.998827 Li\n0.156208 0.157379 0.601289 Li\n0.000000 0.000000 0.000000 C\n0.087060 0.698045 0.999887 O\n0.698158 0.087171 0.000112 O\n0.912940 0.912828 0.610985 O\n0.301843 0.301954 0.389014 O\n","nsites":9,"nelements":3,"elements":["Li","C","O"],"chemical_system":"C-Li-O","density":2.5134283994497673,"density_atomic":0.1312739300874018,"volume":68.55892860073456,"volume_molar":4.587461315426816,"formula_full":"Li4 C1 O4","formula_reduced":"Li4CO4","formula_anonymous":"AB4C4","energy_above_hull":2.2159371111111112,"spacegroup":121},{"id":"jvasp-109499","created_at":"2022-09-04T14:38:20.640878Z","updated_at":"2022-09-04T14:38:20.640901Z","structure_string":"Al3 Ag1\n1.0\n4.086767 0.000000 0.000000\n0.000000 4.086767 0.000000\n0.000000 -0.000000 4.086767\nAl Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":2,"elements":["Al","Ag"],"chemical_system":"Ag-Al","density":4.593470513348375,"density_atomic":0.058603068654311016,"volume":68.25581137389378,"volume_molar":10.276152594539933,"formula_full":"Al3 Ag1","formula_reduced":"Al3Ag","formula_anonymous":"AB3","energy_above_hull":1.2042539150000002,"spacegroup":221},{"id":"jvasp-109500","created_at":"2022-09-04T14:38:20.370962Z","updated_at":"2022-09-04T14:38:20.370988Z","structure_string":"Ac1 Pr3\n1.0\n4.845833 -0.013779 -4.334580\n-0.978072 4.746121 -4.334580\n0.011261 0.013779 6.501581\nAc Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n","nsites":4,"nelements":2,"elements":["Ac","Pr"],"chemical_system":"Ac-Pr","density":7.191555551402269,"density_atomic":0.026662785932909026,"volume":150.02183230458778,"volume_molar":22.586314780283566,"formula_full":"Ac1 Pr3","formula_reduced":"AcPr3","formula_anonymous":"AB3","energy_above_hull":1.4527573875000002,"spacegroup":139},{"id":"jvasp-109502","created_at":"2022-09-04T14:38:27.217552Z","updated_at":"2022-09-04T14:38:27.217584Z","structure_string":"Ba3 Sm1\n1.0\n5.829534 -0.000000 0.000000\n0.000000 5.829534 0.000000\n-0.000000 -0.000000 5.829534\nBa Sm\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Sm\n","nsites":4,"nelements":2,"elements":["Ba","Sm"],"chemical_system":"Ba-Sm","density":4.713541416918731,"density_atomic":0.020191029927096833,"volume":198.10777431575724,"volume_molar":29.825822564495066,"formula_full":"Ba3 Sm1","formula_reduced":"Ba3Sm","formula_anonymous":"AB3","energy_above_hull":0.2379241962499999,"spacegroup":221}]}