{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=500","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=498","results":[{"id":"jvasp-87076","created_at":"2022-09-04T14:36:17.954881Z","updated_at":"2022-09-04T14:36:17.954909Z","structure_string":"Ba2 Tb2 F12\n1.0\n4.680974 -0.000000 0.000000\n-0.000000 6.867903 -3.359435\n0.000000 -0.537848 7.626573\nTb Ba F\n2 2 12\ndirect\n0.000000 0.250000 0.250000 Tb\n0.000000 0.749999 0.750000 Tb\n0.674418 0.250000 0.750000 Ba\n0.325582 0.750000 0.250000 Ba\n0.756393 0.460939 0.169709 F\n0.756393 0.039061 0.330291 F\n0.243606 0.169709 0.460939 F\n0.243606 0.330291 0.039061 F\n0.766155 0.451286 0.548713 F\n0.766155 0.048713 0.951286 F\n0.233844 0.548713 0.451287 F\n0.233844 0.951286 0.048714 F\n0.756393 0.669709 0.960939 F\n0.756393 0.830290 0.539061 F\n0.243606 0.960938 0.669709 F\n0.243606 0.539060 0.830291 F\n","nsites":16,"nelements":3,"elements":["Tb","Ba","F"],"chemical_system":"Ba-F-Tb","density":5.755409931561017,"density_atomic":0.0675890304054434,"volume":236.7248043657601,"volume_molar":8.909938082962936,"formula_full":"Ba2 Tb2 F12","formula_reduced":"BaTbF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":67},{"id":"jvasp-87074","created_at":"2022-09-04T14:36:05.661192Z","updated_at":"2022-09-04T14:36:05.661221Z","structure_string":"S1 F6\n1.0\n4.662789 -0.000000 -1.648544\n-2.331394 4.038094 -1.648544\n-0.000000 -0.000000 4.945634\nS F\n1 6\ndirect\n0.000000 0.000000 0.000000 S\n0.000000 0.721247 0.721248 F\n0.000000 0.278752 0.278752 F\n0.278752 0.000000 0.278752 F\n0.721248 0.000000 0.721248 F\n0.721249 0.721247 0.000001 F\n0.278752 0.278752 0.000000 F\n","nsites":7,"nelements":2,"elements":["S","F"],"chemical_system":"F-S","density":2.6044895065098714,"density_atomic":0.0751716146873101,"volume":93.12025595190104,"volume_molar":8.011189842136798,"formula_full":"S1 F6","formula_reduced":"SF6","formula_anonymous":"AB6","energy_above_hull":0.0009442857142856,"spacegroup":229},{"id":"jvasp-87072","created_at":"2022-09-04T14:35:58.749083Z","updated_at":"2022-09-04T14:35:58.749110Z","structure_string":"P2 F10\n1.0\n5.477083 0.000000 -0.000000\n-2.738542 4.743294 -0.000000\n0.000000 -0.000000 6.037741\nP F\n2 10\ndirect\n0.666667 0.333333 0.750000 P\n0.333333 0.666666 0.250000 P\n0.830669 0.661340 0.750000 F\n0.169330 0.830669 0.250000 F\n0.333333 0.666666 0.517118 F\n0.666667 0.333333 0.017118 F\n0.666667 0.333333 0.482882 F\n0.333333 0.666666 0.982882 F\n0.169330 0.338660 0.250000 F\n0.830669 0.169330 0.750000 F\n0.338660 0.169330 0.750000 F\n0.661340 0.830669 0.250000 F\n","nsites":12,"nelements":2,"elements":["P","F"],"chemical_system":"F-P","density":2.667029508972019,"density_atomic":0.07650281230980178,"volume":156.85697868733803,"volume_molar":7.871790040362247,"formula_full":"P2 F10","formula_reduced":"PF5","formula_anonymous":"AB5","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-87071","created_at":"2022-09-04T14:35:48.057870Z","updated_at":"2022-09-04T14:35:48.057889Z","structure_string":"Li6 Ge6\n1.0\n3.997689 -0.000000 -0.685602\n-0.117580 3.995959 -0.685602\n0.014651 0.015089 12.083331\nLi Ge\n6 6\ndirect\n0.375000 0.125000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.462142 0.712143 0.424285 Li\n0.212142 0.962143 0.924285 Li\n0.537858 0.287858 0.575716 Li\n0.787858 0.037858 0.075716 Li\n0.125000 0.375000 0.750000 Ge\n0.875000 0.625000 0.250000 Ge\n0.298336 0.548336 0.096672 Ge\n0.048336 0.798336 0.596672 Ge\n0.701664 0.451665 0.903328 Ge\n0.951664 0.201664 0.403328 Ge\n","nsites":12,"nelements":2,"elements":["Li","Ge"],"chemical_system":"Ge-Li","density":4.105886928307659,"density_atomic":0.06214103626608765,"volume":193.1091066556414,"volume_molar":9.691085185984377,"formula_full":"Li6 Ge6","formula_reduced":"LiGe","formula_anonymous":"AB","energy_above_hull":0.345412975,"spacegroup":141},{"id":"jvasp-87070","created_at":"2022-09-04T14:35:42.667878Z","updated_at":"2022-09-04T14:35:42.667906Z","structure_string":"Ca4 Sb4 Pt4\n1.0\n4.628154 -0.000000 0.000000\n0.000000 7.359112 0.000000\n0.000000 0.000000 7.978440\nCa Sb Pt\n4 4 4\ndirect\n0.749999 0.992818 0.301568 Ca\n0.250000 0.007182 0.698432 Ca\n0.749999 0.492818 0.198432 Ca\n0.250000 0.507182 0.801568 Ca\n0.749999 0.312066 0.590560 Sb\n0.250000 0.187934 0.090560 Sb\n0.250000 0.687934 0.409440 Sb\n0.749999 0.812066 0.909440 Sb\n0.250000 0.800090 0.084958 Pt\n0.250000 0.300090 0.415042 Pt\n0.749999 0.699910 0.584958 Pt\n0.749999 0.199910 0.915042 Pt\n","nsites":12,"nelements":3,"elements":["Ca","Sb","Pt"],"chemical_system":"Ca-Pt-Sb","density":8.724312415985942,"density_atomic":0.044160100039873744,"volume":271.7385148395218,"volume_molar":13.637063218974578,"formula_full":"Ca4 Sb4 Pt4","formula_reduced":"CaSbPt","formula_anonymous":"ABC","energy_above_hull":0.7861326400000003,"spacegroup":62},{"id":"jvasp-8707","created_at":"2022-09-04T14:36:47.645442Z","updated_at":"2022-09-04T14:36:47.645456Z","structure_string":"Sr2 Ag4\n1.0\n4.437432 0.000000 1.891372\n2.053508 5.629316 1.333287\n0.005322 0.031014 6.138629\nSr Ag\n2 4\ndirect\n0.958578 0.791422 0.291422 Sr\n0.041421 0.208578 0.708579 Sr\n0.663469 0.786255 0.886807 Ag\n0.336530 0.213745 0.113194 Ag\n0.336530 0.613193 0.713745 Ag\n0.663469 0.386807 0.286256 Ag\n","nsites":6,"nelements":2,"elements":["Sr","Ag"],"chemical_system":"Ag-Sr","density":6.57525605933217,"density_atomic":0.03915900657051425,"volume":153.22145594259916,"volume_molar":15.378686252307842,"formula_full":"Sr2 Ag4","formula_reduced":"SrAg2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":74},{"id":"jvasp-87069","created_at":"2022-09-04T14:36:19.562851Z","updated_at":"2022-09-04T14:36:19.562861Z","structure_string":"Sr2 Sb4 Pd4\n1.0\n4.720009 -0.000000 -0.000000\n0.000000 4.720009 0.000000\n0.000000 -0.000000 10.731142\nSr Sb Pd\n2 4 4\ndirect\n0.250000 0.250000 0.759302 Sr\n0.750000 0.750000 0.240698 Sr\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.250000 0.250000 0.125652 Sb\n0.750000 0.750000 0.874348 Sb\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.371853 Pd\n0.750000 0.750000 0.628147 Pd\n","nsites":10,"nelements":3,"elements":["Sr","Sb","Pd"],"chemical_system":"Pd-Sb-Sr","density":7.556669541618387,"density_atomic":0.041828125732707964,"volume":239.07358565149357,"volume_molar":14.397347847912107,"formula_full":"Sr2 Sb4 Pd4","formula_reduced":"Sr(SbPd)2","formula_anonymous":"AB2C2","energy_above_hull":1.1221199820000003,"spacegroup":129},{"id":"jvasp-87066","created_at":"2022-09-04T14:36:16.084937Z","updated_at":"2022-09-04T14:36:16.084955Z","structure_string":"Ba4 As4 Pt4\n1.0\n6.808391 -0.000000 0.000000\n0.000000 6.808391 0.000000\n-0.000000 0.000000 6.808391\nBa As Pt\n4 4 4\ndirect\n0.610919 0.389081 0.889081 Ba\n0.389081 0.889081 0.610919 Ba\n0.110919 0.110919 0.110919 Ba\n0.889081 0.610919 0.389081 Ba\n0.173144 0.326856 0.673144 As\n0.673144 0.173144 0.326856 As\n0.326856 0.673144 0.173144 As\n0.826856 0.826856 0.826856 As\n0.595148 0.904852 0.095148 Pt\n0.095148 0.595148 0.904852 Pt\n0.404852 0.404852 0.404852 Pt\n0.904852 0.095148 0.595148 Pt\n","nsites":12,"nelements":3,"elements":["Ba","As","Pt"],"chemical_system":"As-Ba-Pt","density":8.572841440081627,"density_atomic":0.03802312254151064,"volume":315.59743645197335,"volume_molar":15.838101548407819,"formula_full":"Ba4 As4 Pt4","formula_reduced":"BaAsPt","formula_anonymous":"ABC","energy_above_hull":1.0449230399999996,"spacegroup":198},{"id":"jvasp-87064","created_at":"2022-09-04T14:36:08.912078Z","updated_at":"2022-09-04T14:36:08.912102Z","structure_string":"Ca2 B4 Rh4\n1.0\n5.312149 0.033540 -1.429856\n-2.795149 4.517432 -1.429856\n-0.024361 -0.044046 6.067227\nCa B Rh\n2 4 4\ndirect\n0.875000 0.125000 0.249999 Ca\n0.124999 0.874999 0.749999 Ca\n0.551690 0.448310 0.249999 B\n0.801690 0.198309 0.750000 B\n0.198310 0.801689 0.249999 B\n0.448310 0.551689 0.749999 B\n0.505460 0.755459 0.510920 Rh\n0.755460 0.505460 0.010920 Rh\n0.494540 0.244539 0.489078 Rh\n0.244539 0.494539 0.989078 Rh\n","nsites":10,"nelements":3,"elements":["Ca","B","Rh"],"chemical_system":"B-Ca-Rh","density":6.106058818085545,"density_atomic":0.06872903488839309,"volume":145.49891492349172,"volume_molar":8.762149460965318,"formula_full":"Ca2 B4 Rh4","formula_reduced":"Ca(BRh)2","formula_anonymous":"AB2C2","energy_above_hull":2.9192343173333333,"spacegroup":70},{"id":"jvasp-87063","created_at":"2022-09-04T14:36:05.774740Z","updated_at":"2022-09-04T14:36:05.774768Z","structure_string":"Li4 O4\n1.0\n3.126962 -0.000000 0.000000\n-1.563481 2.708029 -0.000000\n0.000000 0.000000 7.638627\nLi O\n4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.648265 O\n0.666667 0.333333 0.148265 O\n0.666667 0.333333 0.351735 O\n0.333333 0.666667 0.851736 O\n","nsites":8,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":2.355693897904938,"density_atomic":0.12367979848266895,"volume":64.68315843125364,"volume_molar":4.869138560929878,"formula_full":"Li4 O4","formula_reduced":"LiO","formula_anonymous":"AB","energy_above_hull":0.2259917499999999,"spacegroup":194},{"id":"jvasp-87062","created_at":"2022-09-04T14:35:59.762384Z","updated_at":"2022-09-04T14:35:59.762403Z","structure_string":"Zr4 Co4 P4\n1.0\n3.710715 0.000000 0.000000\n-0.000000 6.361405 0.000000\n0.000000 0.000000 7.162497\nZr Co P\n4 4 4\ndirect\n0.250000 0.518977 0.315961 Zr\n0.250000 0.018976 0.184040 Zr\n0.749999 0.981025 0.815961 Zr\n0.749999 0.481024 0.684040 Zr\n0.749999 0.361181 0.061373 Co\n0.250000 0.138820 0.561373 Co\n0.749999 0.861181 0.438627 Co\n0.250000 0.638820 0.938627 Co\n0.250000 0.774128 0.612884 P\n0.250000 0.274128 0.887116 P\n0.749999 0.225872 0.387116 P\n0.749999 0.725873 0.112884 P\n","nsites":12,"nelements":3,"elements":["Zr","Co","P"],"chemical_system":"Co-P-Zr","density":7.115848148695358,"density_atomic":0.07097512192745355,"volume":169.07332702106058,"volume_molar":8.484861450686152,"formula_full":"Zr4 Co4 P4","formula_reduced":"ZrCoP","formula_anonymous":"ABC","energy_above_hull":2.743566966666667,"spacegroup":62},{"id":"jvasp-87061","created_at":"2022-09-04T14:35:56.811430Z","updated_at":"2022-09-04T14:35:56.811454Z","structure_string":"Li4 Ce4 O8\n1.0\n5.778141 -0.081028 0.000000\n-1.336379 5.705427 0.000000\n0.000000 0.000000 6.029586\nLi Ce O\n4 4 8\ndirect\n0.182502 0.662954 0.132604 Li\n0.317497 0.337046 0.632605 Li\n0.817497 0.337046 0.867396 Li\n0.682502 0.662954 0.367396 Li\n0.303409 0.200495 0.071539 Ce\n0.803409 0.200495 0.428461 Ce\n0.696590 0.799505 0.928462 Ce\n0.196591 0.799505 0.571539 Ce\n0.986063 0.906145 0.246099 O\n0.696592 0.434650 0.136137 O\n0.513937 0.093855 0.746099 O\n0.013937 0.093855 0.753902 O\n0.303408 0.565351 0.863864 O\n0.803407 0.565350 0.636137 O\n0.196592 0.434650 0.363864 O\n0.486063 0.906145 0.253901 O\n","nsites":16,"nelements":3,"elements":["Li","Ce","O"],"chemical_system":"Ce-Li-O","density":6.00291993623671,"density_atomic":0.08075790639458874,"volume":198.12301623847068,"volume_molar":7.457029322398976,"formula_full":"Li4 Ce4 O8","formula_reduced":"LiCeO2","formula_anonymous":"ABC2","energy_above_hull":1.1793106249999998,"spacegroup":14}]}