{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=3454","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=3452","results":[{"id":"jvasp-17163","created_at":"2022-09-04T14:38:14.382573Z","updated_at":"2022-09-04T14:38:14.382583Z","structure_string":"Y3 Mg3 Al3\n1.0\n3.685437 -6.383365 -0.000000\n3.685437 6.383365 -0.000000\n-0.000000 -0.000000 4.534955\nY Mg Al\n3 3 3\ndirect\n0.431624 0.000000 0.000000 Y\n0.568377 0.568377 0.000000 Y\n0.000000 0.431624 0.000000 Y\n0.241967 0.241967 0.500001 Mg\n0.000001 0.758033 0.500001 Mg\n0.758033 0.000001 0.500001 Mg\n0.666667 0.333334 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.500001 Al\n","nsites":9,"nelements":3,"elements":["Y","Mg","Al"],"chemical_system":"Al-Mg-Y","density":3.2730537716955546,"density_atomic":0.04217944511506346,"volume":213.37407297437036,"volume_molar":14.277430022068556,"formula_full":"Y3 Mg3 Al3","formula_reduced":"YMgAl","formula_anonymous":"ABC","energy_above_hull":0.9837424333333336,"spacegroup":189},{"id":"jvasp-59111","created_at":"2022-09-04T14:37:29.898900Z","updated_at":"2022-09-04T14:37:29.898918Z","structure_string":"Ba6 Cr4 S12\n1.0\n8.053416 -0.025420 -0.657737\n-0.711580 8.021958 -0.657737\n-0.023339 -0.025420 8.080196\nBa Cr S\n6 4 12\ndirect\n0.363519 0.750000 0.136481 Ba\n0.750000 0.136481 0.363519 Ba\n0.636481 0.250000 0.863519 Ba\n0.863519 0.636481 0.250000 Ba\n0.250000 0.863519 0.636481 Ba\n0.136481 0.363519 0.750000 Ba\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.516848 0.409327 0.207399 S\n0.909327 0.016847 0.707399 S\n0.292601 0.090673 0.983153 S\n0.983153 0.292601 0.090673 S\n0.090673 0.983153 0.292601 S\n0.590674 0.792601 0.483152 S\n0.483153 0.590674 0.792601 S\n0.792601 0.483153 0.590673 S\n0.707399 0.909327 0.016847 S\n0.016847 0.707399 0.909327 S\n0.207399 0.516848 0.409326 S\n0.409327 0.207399 0.516847 S\n","nsites":22,"nelements":3,"elements":["Ba","Cr","S"],"chemical_system":"Ba-Cr-S","density":4.510234311822216,"density_atomic":0.042178069788686955,"volume":521.5980747867429,"volume_molar":14.277895575048968,"formula_full":"Ba6 Cr4 S12","formula_reduced":"Ba3(CrS3)2","formula_anonymous":"A2B3C6","energy_above_hull":2.0787193372727275,"spacegroup":167},{"id":"jvasp-31191","created_at":"2022-09-04T14:38:34.973973Z","updated_at":"2022-09-04T14:38:34.974008Z","structure_string":"Sr2 Pr4 S8\n1.0\n7.554718 0.001870 -0.003340\n-2.516477 7.123492 0.003362\n-2.521848 -3.560734 6.167271\nSr Pr S\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.624999 Sr\n0.249999 0.627859 0.377862 Pr\n0.750001 0.872141 0.122139 Pr\n0.622139 0.372141 0.250002 Pr\n0.877862 0.127859 0.749999 Pr\n0.992074 0.847428 0.492643 S\n0.992643 0.347428 0.492074 S\n0.507924 0.000570 0.855354 S\n0.144647 0.152573 0.145216 S\n0.355354 0.500569 0.007924 S\n0.645216 0.652573 0.644647 S\n0.507355 0.999429 0.354784 S\n0.854784 0.499429 0.007355 S\n","nsites":14,"nelements":3,"elements":["Sr","Pr","S"],"chemical_system":"Pr-S-Sr","density":4.979661029235456,"density_atomic":0.04217792244743717,"volume":331.927207117587,"volume_molar":14.277945452398448,"formula_full":"Sr2 Pr4 S8","formula_reduced":"Sr(PrS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.3684637157142858,"spacegroup":122},{"id":"jvasp-90632","created_at":"2022-09-04T14:36:01.609148Z","updated_at":"2022-09-04T14:36:01.609184Z","structure_string":"Tb2 Sb4 Pd2\n1.0\n4.459052 0.000000 0.000000\n-0.000000 4.459052 -0.000000\n-0.000000 0.000000 9.539497\nTb Sb Pd\n2 4 2\ndirect\n0.750000 0.750000 0.744079 Tb\n0.250000 0.250000 0.255922 Tb\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.334512 Sb\n0.250000 0.250000 0.665489 Sb\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n","nsites":8,"nelements":3,"elements":["Tb","Sb","Pd"],"chemical_system":"Pd-Sb-Tb","density":8.909871139305016,"density_atomic":0.04217736434433896,"volume":189.67519958543258,"volume_molar":14.278134382307108,"formula_full":"Tb2 Sb4 Pd2","formula_reduced":"TbSb2Pd","formula_anonymous":"ABC2","energy_above_hull":1.378066575,"spacegroup":129},{"id":"jvasp-94288","created_at":"2022-09-04T14:36:07.858023Z","updated_at":"2022-09-04T14:36:07.858049Z","structure_string":"Ca2 Ge4\n1.0\n-2.022496 -3.503064 -0.000000\n2.022496 -3.503064 -0.000000\n-0.000000 -2.335376 10.039803\nCa Ge\n2 4\ndirect\n0.080541 0.080541 0.758376 Ca\n0.919458 0.919458 0.241624 Ca\n0.185575 0.185575 0.443276 Ge\n0.814424 0.814424 0.556724 Ge\n0.350964 0.350964 0.947107 Ge\n0.649035 0.649035 0.052893 Ge\n","nsites":6,"nelements":2,"elements":["Ca","Ge"],"chemical_system":"Ca-Ge","density":4.327125565816905,"density_atomic":0.04217550780524605,"volume":142.262661725526,"volume_molar":14.278762896723032,"formula_full":"Ca2 Ge4","formula_reduced":"CaGe2","formula_anonymous":"AB2","energy_above_hull":0.3285853166666665,"spacegroup":166},{"id":"jvasp-86331","created_at":"2022-09-04T14:35:48.105721Z","updated_at":"2022-09-04T14:35:48.105750Z","structure_string":"Ca2 Ge4\n1.0\n-2.022496 -3.503064 -0.000000\n2.022496 -3.503064 -0.000000\n-0.000000 -2.335376 10.039803\nCa Ge\n2 4\ndirect\n0.080541 0.080541 0.758376 Ca\n0.919458 0.919458 0.241624 Ca\n0.185575 0.185575 0.443276 Ge\n0.814424 0.814424 0.556724 Ge\n0.350964 0.350964 0.947107 Ge\n0.649035 0.649035 0.052893 Ge\n","nsites":6,"nelements":2,"elements":["Ca","Ge"],"chemical_system":"Ca-Ge","density":4.327125565816905,"density_atomic":0.04217550780524605,"volume":142.262661725526,"volume_molar":14.278762896723032,"formula_full":"Ca2 Ge4","formula_reduced":"CaGe2","formula_anonymous":"AB2","energy_above_hull":0.3285853166666665,"spacegroup":166},{"id":"jvasp-20142","created_at":"2022-09-04T14:38:08.415453Z","updated_at":"2022-09-04T14:38:08.415481Z","structure_string":"Sb8 Pd4\n1.0\n6.577213 -0.000000 -0.000000\n-0.000000 6.577213 0.000000\n0.000000 -0.000000 6.577213\nSb Pd\n8 4\ndirect\n0.373345 0.373345 0.373345 Sb\n0.126655 0.626655 0.873344 Sb\n0.873344 0.126655 0.626655 Sb\n0.626655 0.873344 0.126655 Sb\n0.626655 0.626655 0.626655 Sb\n0.873344 0.373345 0.126655 Sb\n0.126655 0.873344 0.373345 Sb\n0.373345 0.126655 0.873344 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n","nsites":12,"nelements":2,"elements":["Sb","Pd"],"chemical_system":"Pd-Sb","density":8.16915162132807,"density_atomic":0.04217504226760661,"volume":284.52846410581645,"volume_molar":14.278920508931952,"formula_full":"Sb8 Pd4","formula_reduced":"Sb2Pd","formula_anonymous":"AB2","energy_above_hull":1.3412159666666668,"spacegroup":205},{"id":"jvasp-115431","created_at":"2022-09-04T14:38:46.570893Z","updated_at":"2022-09-04T14:38:46.570922Z","structure_string":"Na1 As1 Se1\n1.0\n2.841391 0.000000 -0.000000\n-0.000000 2.841391 -0.000000\n-0.000000 -0.000000 8.810592\nNa As Se\n1 1 1\ndirect\n0.000000 0.000000 0.652307 Na\n0.000000 0.000000 0.333082 As\n-0.000000 -0.000000 -0.033115 Se\n","nsites":3,"nelements":3,"elements":["Na","As","Se"],"chemical_system":"As-Na-Se","density":4.128949241512666,"density_atomic":0.042174909879021935,"volume":71.13233931276801,"volume_molar":14.278965330985688,"formula_full":"Na1 As1 Se1","formula_reduced":"NaAsSe","formula_anonymous":"ABC","energy_above_hull":0.9166847055555556,"spacegroup":99},{"id":"jvasp-35947","created_at":"2022-09-04T14:38:32.163817Z","updated_at":"2022-09-04T14:38:32.163847Z","structure_string":"Y4 Zn2 S8\n1.0\n5.495648 5.495648 0.000000\n5.495648 0.000000 -5.495648\n-0.000000 5.495648 -5.495648\nY Zn S\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.875000 0.375000 0.375000 Zn\n0.125000 0.625000 0.625000 Zn\n0.748406 0.754785 0.248406 S\n0.748406 0.248406 0.754785 S\n0.748406 0.248406 0.248406 S\n0.254785 0.248406 0.248406 S\n0.251595 0.245215 0.751595 S\n0.251595 0.751595 0.245215 S\n0.251595 0.751595 0.751595 S\n0.745216 0.751595 0.751595 S\n","nsites":14,"nelements":3,"elements":["Y","Zn","S"],"chemical_system":"S-Y-Zn","density":3.716452859381204,"density_atomic":0.04217366226127695,"volume":331.9607368519791,"volume_molar":14.27938774368527,"formula_full":"Y4 Zn2 S8","formula_reduced":"Y2ZnS4","formula_anonymous":"AB2C4","energy_above_hull":1.6655944714285713,"spacegroup":227},{"id":"jvasp-20989","created_at":"2022-09-04T14:38:39.945347Z","updated_at":"2022-09-04T14:38:39.945376Z","structure_string":"Ca6 Sn26 Rh8\n1.0\n9.825171 -0.000000 0.000000\n-0.000000 9.825171 0.000000\n0.000000 0.000000 9.825171\nCa Sn Rh\n6 26 8\ndirect\n0.250000 0.500000 0.000000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.750000 0.500000 Ca\n0.000000 0.250000 0.500000 Ca\n0.305658 0.846516 0.000000 Sn\n0.000000 0.694342 0.846516 Sn\n0.000000 0.305658 0.846516 Sn\n0.000000 0.694342 0.153484 Sn\n0.805658 0.500000 0.346516 Sn\n0.346516 0.194342 0.500000 Sn\n0.653484 0.194342 0.500000 Sn\n0.846516 0.000000 0.694342 Sn\n0.500000 0.653484 0.805658 Sn\n0.500000 0.346516 0.194342 Sn\n0.194342 0.500000 0.346516 Sn\n0.846516 0.000000 0.305658 Sn\n0.694342 0.153484 0.000000 Sn\n0.000000 0.305658 0.153484 Sn\n0.694342 0.846516 0.000000 Sn\n0.305658 0.153484 0.000000 Sn\n0.153484 0.000000 0.305658 Sn\n0.805658 0.500000 0.653484 Sn\n0.194342 0.500000 0.653484 Sn\n0.346516 0.805658 0.500000 Sn\n0.653484 0.805658 0.500000 Sn\n0.500000 0.653484 0.194342 Sn\n0.500000 0.346516 0.805658 Sn\n0.153484 0.000000 0.694342 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.750000 0.250000 0.250000 Rh\n","nsites":40,"nelements":3,"elements":["Ca","Sn","Rh"],"chemical_system":"Ca-Rh-Sn","density":7.265990745779795,"density_atomic":0.04217349936057082,"volume":948.4629116975083,"volume_molar":14.279442899704613,"formula_full":"Ca6 Sn26 Rh8","formula_reduced":"Ca3Sn13Rh4","formula_anonymous":"A3B4C13","energy_above_hull":0.967299768,"spacegroup":223},{"id":"jvasp-102404","created_at":"2022-09-04T14:37:08.598626Z","updated_at":"2022-09-04T14:37:08.598652Z","structure_string":"Rb2 Nb1 Au1 F6\n1.0\n6.016753 -0.000000 3.473774\n2.005584 5.672649 3.473774\n-0.000000 -0.000000 6.947548\nRb Nb Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.499999 0.500000 0.500000 Au\n0.801244 0.198756 0.198756 F\n0.198756 0.198756 0.801244 F\n0.198755 0.801244 0.801244 F\n0.198755 0.801244 0.198756 F\n0.801244 0.198756 0.801244 F\n0.801243 0.801244 0.198756 F\n","nsites":10,"nelements":4,"elements":["Rb","Nb","Au","F"],"chemical_system":"Au-F-Nb-Rb","density":4.025181112280365,"density_atomic":0.042171626241660716,"volume":237.12625979126105,"volume_molar":14.280077143553024,"formula_full":"Rb2 Nb1 Au1 F6","formula_reduced":"Rb2NbAuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.1341368664999999,"spacegroup":225},{"id":"jvasp-108768","created_at":"2022-09-04T14:38:28.198523Z","updated_at":"2022-09-04T14:38:28.198538Z","structure_string":"K1 Na4 Cl5\n1.0\n6.198670 0.000261 3.324887\n4.878707 3.823836 3.324887\n-0.015176 -0.005239 9.995992\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596682 0.596682 0.598662 Na\n0.201295 0.201295 0.207816 Na\n0.798705 0.798706 0.792184 Na\n0.403318 0.403318 0.401339 Na\n0.205630 0.205631 0.685696 Cl\n0.794369 0.794370 0.314305 Cl\n0.390124 0.390125 0.888249 Cl\n-0.000000 -0.000000 0.500000 Cl\n0.609875 0.609876 0.111751 Cl\n","nsites":10,"nelements":3,"elements":["K","Na","Cl"],"chemical_system":"Cl-K-Na","density":2.1590274906490974,"density_atomic":0.04217004156279984,"volume":237.1351705951712,"volume_molar":14.280613764707338,"formula_full":"K1 Na4 Cl5","formula_reduced":"KNa4Cl5","formula_anonymous":"AB4C5","energy_above_hull":0.000601,"spacegroup":12}]}