{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3524","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3522","results":[{"id":"jvasp-2196","created_at":"2022-09-04T14:36:18.077000Z","updated_at":"2022-09-04T14:36:18.077021Z","structure_string":"Sn1 F4\n1.0\n3.758151 -0.000000 -1.707986\n-0.776245 3.677088 -1.708004\n-0.046486 -0.057353 4.886312\nSn F\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.755610 0.755591 0.511222 F\n-0.000001 0.500000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n0.244388 0.244411 0.488778 F\n","nsites":5,"nelements":2,"elements":["Sn","F"],"chemical_system":"F-Sn","density":4.840879343221086,"density_atomic":0.07486367714982689,"volume":66.78806318841849,"volume_molar":8.044142352168612,"formula_full":"Sn1 F4","formula_reduced":"SnF4","formula_anonymous":"AB4","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-65763","created_at":"2022-09-04T14:36:18.072181Z","updated_at":"2022-09-04T14:36:18.072214Z","structure_string":"Ba1 Li1 Bi2\n1.0\n4.223348 -0.000000 -0.000000\n0.000000 4.223348 0.000000\n0.000000 -0.000000 7.312048\nBa Li Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.794362 Bi\n0.000000 0.000000 0.205638 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Li","Bi"],"chemical_system":"Ba-Bi-Li","density":7.158292089333402,"density_atomic":0.030669537083875844,"volume":130.42257498248821,"volume_molar":19.635577620654963,"formula_full":"Ba1 Li1 Bi2","formula_reduced":"BaLiBi2","formula_anonymous":"ABC2","energy_above_hull":0.4266486425,"spacegroup":123},{"id":"jvasp-90189","created_at":"2022-09-04T14:36:18.071653Z","updated_at":"2022-09-04T14:36:18.071673Z","structure_string":"Zr6 Cu1 Bi2\n1.0\n0.000000 0.000000 -3.815986\n-3.926570 -6.801017 0.000000\n-3.926710 6.801098 0.000000\nZr Cu Bi\n6 1 2\ndirect\n0.500001 0.605535 -0.000000 Zr\n0.500001 0.394443 0.394460 Zr\n0.500001 0.999983 0.605540 Zr\n0.000000 0.238036 -0.000000 Zr\n0.000000 0.761948 0.761960 Zr\n0.000000 0.999987 0.238039 Zr\n0.500001 -0.000001 0.000000 Cu\n0.000000 0.333318 0.666666 Bi\n0.000000 0.666652 0.333334 Bi\n","nsites":9,"nelements":3,"elements":["Zr","Cu","Bi"],"chemical_system":"Bi-Cu-Zr","density":8.382377121517544,"density_atomic":0.04415787930763559,"volume":203.81413557701714,"volume_molar":13.637749036916901,"formula_full":"Zr6 Cu1 Bi2","formula_reduced":"Zr6CuBi2","formula_anonymous":"AB2C6","energy_above_hull":3.5509006722222227,"spacegroup":189},{"id":"jvasp-63225","created_at":"2022-09-04T14:36:18.070346Z","updated_at":"2022-09-04T14:36:18.070370Z","structure_string":"Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n","nsites":10,"nelements":3,"elements":["Ca","B","C"],"chemical_system":"B-C-Ca","density":2.6416465966753586,"density_atomic":0.09279110962286868,"volume":107.76894511384813,"volume_molar":6.489997570323077,"formula_full":"Ca2 B4 C4","formula_reduced":"Ca(BC)2","formula_anonymous":"AB2C2","energy_above_hull":4.326955117333334,"spacegroup":131},{"id":"jvasp-64418","created_at":"2022-09-04T14:36:18.065598Z","updated_at":"2022-09-04T14:36:18.065624Z","structure_string":"K1 Ba1 Ti1\n1.0\n0.000000 4.236934 4.236934\n4.236934 -0.000000 4.236934\n4.236934 4.236934 -0.000000\nK Ba Ti\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n","nsites":3,"nelements":3,"elements":["K","Ba","Ti"],"chemical_system":"Ba-K-Ti","density":2.4483774418557873,"density_atomic":0.019721328275950144,"volume":152.11957115781362,"volume_molar":30.536182328773,"formula_full":"K1 Ba1 Ti1","formula_reduced":"KBaTi","formula_anonymous":"ABC","energy_above_hull":1.2056907677777775,"spacegroup":216},{"id":"jvasp-71167","created_at":"2022-09-04T14:36:18.064815Z","updated_at":"2022-09-04T14:36:18.064841Z","structure_string":"Be1 Co1 Mo2\n1.0\n2.659401 0.000000 0.000000\n0.000000 2.659401 0.000000\n0.000000 0.000000 7.017784\nBe Co Mo\n1 1 2\ndirect\n0.000000 0.000000 0.541723 Be\n0.500000 0.500000 0.708679 Co\n0.000000 0.000000 0.958456 Mo\n0.500000 0.500000 0.291141 Mo\n","nsites":4,"nelements":3,"elements":["Be","Co","Mo"],"chemical_system":"Be-Co-Mo","density":8.692866522642852,"density_atomic":0.08059207523110865,"volume":49.63267155647079,"volume_molar":7.472373360197885,"formula_full":"Be1 Co1 Mo2","formula_reduced":"BeCoMo2","formula_anonymous":"ABC2","energy_above_hull":4.252902199999999,"spacegroup":99},{"id":"jvasp-71044","created_at":"2022-09-04T14:36:18.063907Z","updated_at":"2022-09-04T14:36:18.063940Z","structure_string":"Be2 Nb1 Cu1\n1.0\n4.260249 0.000000 -0.000000\n-0.000000 4.260249 0.000000\n-0.000000 0.000000 2.659557\nBe Nb Cu\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Be","Nb","Cu"],"chemical_system":"Be-Cu-Nb","density":6.0021573503684245,"density_atomic":0.08286682938117763,"volume":48.27021897507955,"volume_molar":7.2672513295988,"formula_full":"Be2 Nb1 Cu1","formula_reduced":"Be2NbCu","formula_anonymous":"ABC2","energy_above_hull":2.2233855125,"spacegroup":123},{"id":"jvasp-94850","created_at":"2022-09-04T14:36:18.062013Z","updated_at":"2022-09-04T14:36:18.062037Z","structure_string":"Na5 Sn2\n1.0\n-2.707327 -4.689229 0.000000\n2.707327 -4.689229 0.000000\n-0.000000 -3.126152 7.487023\nNa Sn\n5 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.356082 0.356082 0.931755 Na\n0.643918 0.643918 0.068245 Na\n0.213652 0.213652 0.359044 Na\n0.786348 0.786348 0.640956 Na\n0.067688 0.067688 0.796936 Sn\n0.932312 0.932312 0.203063 Sn\n","nsites":7,"nelements":2,"elements":["Na","Sn"],"chemical_system":"Na-Sn","density":3.0779763780893807,"density_atomic":0.036822792481266346,"volume":190.09965101265095,"volume_molar":16.354383668929437,"formula_full":"Na5 Sn2","formula_reduced":"Na5Sn2","formula_anonymous":"A2B5","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-95378","created_at":"2022-09-04T14:36:18.056244Z","updated_at":"2022-09-04T14:36:18.056269Z","structure_string":"Zr4 V12 Sb18\n1.0\n7.246285 0.000000 0.000000\n-0.000000 9.800931 0.000000\n-0.000000 0.000000 9.800931\nZr V Sb\n4 12 18\ndirect\n0.915909 0.250000 0.250000 Zr\n0.084091 0.750000 0.750000 Zr\n0.415130 0.250000 0.250000 Zr\n0.584869 0.750000 0.750000 Zr\n0.840787 0.614807 0.250000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.159213 0.114807 0.750000 V\n0.159213 0.385193 0.750000 V\n0.159213 0.750000 0.114807 V\n0.840787 0.250000 0.614807 V\n0.840787 0.250000 0.885193 V\n0.840787 0.885193 0.250000 V\n0.159213 0.750000 0.385193 V\n0.655927 0.422147 0.422147 Sb\n0.344072 0.922147 0.922147 Sb\n0.344072 0.577853 0.922147 Sb\n0.344072 0.922147 0.577853 Sb\n0.344072 0.577853 0.577853 Sb\n0.655927 0.422147 0.077853 Sb\n0.655927 0.077853 0.422147 Sb\n0.655927 0.077853 0.077853 Sb\n0.180284 0.496952 0.250000 Sb\n0.819716 0.503048 0.750000 Sb\n0.819716 0.996952 0.750000 Sb\n0.819716 0.750000 0.503048 Sb\n0.180284 0.250000 0.003048 Sb\n0.180284 0.250000 0.496952 Sb\n0.180284 0.003048 0.250000 Sb\n0.500000 0.250000 0.750000 Sb\n0.819716 0.750000 0.996952 Sb\n0.500000 0.750000 0.250000 Sb\n","nsites":34,"nelements":3,"elements":["Zr","V","Sb"],"chemical_system":"Sb-V-Zr","density":7.557304522040598,"density_atomic":0.04884598171719529,"volume":696.0654449909633,"volume_molar":12.328835552669466,"formula_full":"Zr4 V12 Sb18","formula_reduced":"Zr2(V2Sb3)3","formula_anonymous":"A2B6C9","energy_above_hull":3.6169052411764713,"spacegroup":129},{"id":"jvasp-91452","created_at":"2022-09-04T14:36:18.053627Z","updated_at":"2022-09-04T14:36:18.053656Z","structure_string":"Tl4 C4 O8\n1.0\n5.863330 0.000000 0.000000\n0.000000 6.588934 -1.044703\n0.000000 0.007130 6.623484\nTl C O\n4 4 8\ndirect\n0.440508 0.184329 0.825109 Tl\n0.059492 0.184329 0.325109 Tl\n0.940508 0.815670 0.674890 Tl\n0.559492 0.815670 0.174891 Tl\n0.594296 0.428909 0.444667 C\n0.094296 0.571090 0.055333 C\n0.405704 0.571090 0.555333 C\n0.905704 0.428909 0.944667 C\n0.757841 0.512534 0.363071 O\n0.926048 0.239701 0.944030 O\n0.242159 0.487465 0.636928 O\n0.257841 0.487465 0.136929 O\n0.426048 0.760298 0.555969 O\n0.073952 0.760298 0.055971 O\n0.742159 0.512534 0.863071 O\n0.573952 0.239701 0.444030 O\n","nsites":16,"nelements":3,"elements":["Tl","C","O"],"chemical_system":"C-O-Tl","density":6.446559366122935,"density_atomic":0.06251725160134235,"volume":255.92935694019621,"volume_molar":9.632766325688403,"formula_full":"Tl4 C4 O8","formula_reduced":"TlCO2","formula_anonymous":"ABC2","energy_above_hull":2.2684474000000003,"spacegroup":14},{"id":"jvasp-70901","created_at":"2022-09-04T14:36:18.049599Z","updated_at":"2022-09-04T14:36:18.049623Z","structure_string":"Be1 Cd1 Ir2\n1.0\n2.900512 -0.000000 0.000000\n-0.000000 2.900512 -0.000000\n0.000000 0.000000 6.834214\nBe Cd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.448612 Be\n0.500000 0.500000 0.731316 Cd\n0.000000 0.000000 0.020707 Ir\n0.500000 0.500000 0.299363 Ir\n","nsites":4,"nelements":3,"elements":["Be","Cd","Ir"],"chemical_system":"Be-Cd-Ir","density":14.609626423479776,"density_atomic":0.06957001298727435,"volume":57.49603641344259,"volume_molar":8.65623061059592,"formula_full":"Be1 Cd1 Ir2","formula_reduced":"BeCdIr2","formula_anonymous":"ABC2","energy_above_hull":2.2901220125,"spacegroup":99},{"id":"jvasp-15004","created_at":"2022-09-04T14:36:18.049169Z","updated_at":"2022-09-04T14:36:18.049191Z","structure_string":"Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n","nsites":2,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":5.4057661955995275,"density_atomic":0.10194495057432428,"volume":19.618431209517084,"volume_molar":5.907247711704446,"formula_full":"Ti1 O1","formula_reduced":"TiO","formula_anonymous":"AB","energy_above_hull":0.8109859166666666,"spacegroup":225}]}