{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4630","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4628","results":[{"id":"jvasp-108775","created_at":"2022-09-04T14:38:18.876403Z","updated_at":"2022-09-04T14:38:18.876418Z","structure_string":"K4 Na1 Cl5\n1.0\n4.294989 0.005783 17.468807\n2.120872 3.734818 17.468807\n0.009919 0.005783 17.989054\nK Na Cl\n4 1 5\ndirect\n0.604033 0.604032 0.604033 K\n0.201347 0.201347 0.201347 K\n0.798654 0.798652 0.798654 K\n0.395968 0.395967 0.395968 K\n0.000000 0.000000 0.000000 Na\n0.694561 0.694560 0.694561 Cl\n0.500000 0.499999 0.500000 Cl\n0.097305 0.097305 0.097305 Cl\n0.305439 0.305439 0.305440 Cl\n0.902695 0.902694 0.902695 Cl\n","nsites":10,"nelements":3,"elements":["K","Na","Cl"],"chemical_system":"Cl-K-Na","density":2.0600947385667294,"density_atomic":0.034785507187709834,"volume":287.4760441478665,"volume_molar":17.312212029864263,"formula_full":"K4 Na1 Cl5","formula_reduced":"K4NaCl5","formula_anonymous":"AB4C5","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-21653","created_at":"2022-09-04T14:38:28.805669Z","updated_at":"2022-09-04T14:38:28.805704Z","structure_string":"Yb4 Mg4 Au4\n1.0\n4.308450 0.000000 0.000000\n-0.000000 7.319070 0.000000\n0.000000 0.000000 8.650345\nYb Mg Au\n4 4 4\ndirect\n0.750000 0.462095 0.825984 Yb\n0.250000 0.037905 0.325984 Yb\n0.750000 0.962095 0.674015 Yb\n0.250000 0.537905 0.174016 Yb\n0.250000 0.637070 0.560942 Mg\n0.250000 0.137070 0.939057 Mg\n0.750000 0.362930 0.439057 Mg\n0.750000 0.862929 0.060942 Mg\n0.250000 0.758900 0.870574 Au\n0.250000 0.258900 0.629425 Au\n0.750000 0.741100 0.370575 Au\n0.750000 0.241100 0.129425 Au\n","nsites":12,"nelements":3,"elements":["Yb","Mg","Au"],"chemical_system":"Au-Mg-Yb","density":9.601480879112714,"density_atomic":0.04399171157347948,"volume":272.77865695123876,"volume_molar":13.689262237367602,"formula_full":"Yb4 Mg4 Au4","formula_reduced":"YbMgAu","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-110024","created_at":"2022-09-04T14:38:18.875667Z","updated_at":"2022-09-04T14:38:18.875689Z","structure_string":"Pm1 Mg1 Tl2\n1.0\n4.601512 -0.000000 2.656684\n1.533837 4.338347 2.656684\n-0.000000 -0.000000 5.313368\nPm Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n","nsites":4,"nelements":3,"elements":["Pm","Mg","Tl"],"chemical_system":"Mg-Pm-Tl","density":9.04973767168888,"density_atomic":0.03771075701959324,"volume":106.0705304303951,"volume_molar":15.969291618492566,"formula_full":"Pm1 Mg1 Tl2","formula_reduced":"PmMgTl2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-31903","created_at":"2022-09-04T14:38:06.437715Z","updated_at":"2022-09-04T14:38:06.437745Z","structure_string":"Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n","nsites":8,"nelements":2,"elements":["Ga","Cl"],"chemical_system":"Cl-Ga","density":2.5549499913169593,"density_atomic":0.03495250732678792,"volume":228.88200623789666,"volume_molar":17.229495737447646,"formula_full":"Ga2 Cl6","formula_reduced":"GaCl3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-108601","created_at":"2022-09-04T14:38:18.765141Z","updated_at":"2022-09-04T14:38:18.765166Z","structure_string":"Rb2 Tl1 Pd1 F6\n1.0\n5.560847 -0.000000 3.210556\n1.853616 5.242817 3.210556\n-0.000000 -0.000000 6.421113\nRb Tl Pd F\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 Tl\n0.000000 0.000000 0.000000 Pd\n0.771077 0.228923 0.228923 F\n0.228924 0.228923 0.771076 F\n0.228924 0.771077 0.771076 F\n0.228924 0.771077 0.228923 F\n0.771077 0.228923 0.771077 F\n0.771078 0.771077 0.228923 F\n","nsites":10,"nelements":4,"elements":["Rb","Tl","Pd","F"],"chemical_system":"F-Pd-Rb-Tl","density":5.284234890340008,"density_atomic":0.053417559458483393,"volume":187.20435941615958,"volume_molar":11.273710032897444,"formula_full":"Rb2 Tl1 Pd1 F6","formula_reduced":"Rb2TlPdF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-24765","created_at":"2022-09-04T14:38:04.427917Z","updated_at":"2022-09-04T14:38:04.427948Z","structure_string":"Na6 Er2 Cl12\n1.0\n0.000000 6.729676 -0.017067\n7.240021 0.000000 0.000000\n0.000000 -6.572679 -10.033679\nNa Er Cl\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.710430 0.913272 0.243139 Na\n0.289571 0.413272 0.256861 Na\n0.289571 0.086728 0.756862 Na\n0.710430 0.586728 0.743139 Na\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.245398 0.806492 0.578280 Cl\n0.754603 0.306492 0.921721 Cl\n0.385196 0.320872 0.568114 Cl\n0.614804 0.820872 0.931886 Cl\n0.614804 0.679128 0.431886 Cl\n0.905054 0.561055 0.259573 Cl\n0.094946 0.438945 0.740427 Cl\n0.905054 0.938945 0.759573 Cl\n0.245398 0.693508 0.078280 Cl\n0.094946 0.061055 0.240427 Cl\n0.385196 0.179128 0.068114 Cl\n0.754603 0.193508 0.421721 Cl\n","nsites":20,"nelements":3,"elements":["Na","Er","Cl"],"chemical_system":"Cl-Er-Na","density":3.044797559794393,"density_atomic":0.040842744838115,"volume":489.68305336167634,"volume_molar":14.74470137565303,"formula_full":"Na6 Er2 Cl12","formula_reduced":"Na3ErCl6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":14},{"id":"jvasp-18098","created_at":"2022-09-04T14:38:16.818403Z","updated_at":"2022-09-04T14:38:16.818429Z","structure_string":"Sm3 Mg3 In3\n1.0\n3.807374 -6.594566 -0.000000\n3.807374 6.594566 0.000000\n0.000000 -0.000000 4.701589\nSm Mg In\n3 3 3\ndirect\n0.430306 0.430306 0.000000 Sm\n-0.000001 0.569694 0.000000 Sm\n0.569694 -0.000001 0.000000 Sm\n-0.000000 0.242380 0.500000 Mg\n0.242380 -0.000000 0.500000 Mg\n0.757619 0.757619 0.500000 Mg\n0.333332 0.666667 0.500000 In\n0.000000 0.000000 0.000000 In\n0.666667 0.333332 0.500000 In\n","nsites":9,"nelements":3,"elements":["Sm","Mg","In"],"chemical_system":"In-Mg-Sm","density":6.108112124097336,"density_atomic":0.0381202809856418,"volume":236.09479697670375,"volume_molar":15.797734445525915,"formula_full":"Sm3 Mg3 In3","formula_reduced":"SmMgIn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":189},{"id":"jvasp-36985","created_at":"2022-09-04T14:38:07.669665Z","updated_at":"2022-09-04T14:38:07.669687Z","structure_string":"Mg1 Tl1 F3\n1.0\n4.102860 0.000728 0.003213\n-0.000772 4.102782 0.006385\n-0.003367 -0.006665 4.102990\nMg Tl F\n1 1 3\ndirect\n0.500000 0.511998 0.502001 Mg\n-0.000002 0.012031 0.001969 Tl\n0.000001 0.511991 0.502007 F\n0.500001 0.011993 0.502012 F\n0.499999 0.511989 0.002011 F\n","nsites":5,"nelements":3,"elements":["Mg","Tl","F"],"chemical_system":"F-Mg-Tl","density":6.8685850538039395,"density_atomic":0.07239407358207187,"volume":69.06642702363736,"volume_molar":8.31855490653224,"formula_full":"Mg1 Tl1 F3","formula_reduced":"MgTlF3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-108978","created_at":"2022-09-04T14:38:18.232252Z","updated_at":"2022-09-04T14:38:18.232282Z","structure_string":"K2 Li1 Tl1 F6\n1.0\n5.142201 -0.000000 2.968851\n1.714067 4.848113 2.968851\n-0.000000 -0.000000 5.937702\nK Li Tl F\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.740497 0.259503 0.259503 F\n0.259504 0.259503 0.740496 F\n0.259504 0.740496 0.740496 F\n0.259504 0.740496 0.259503 F\n0.740497 0.259503 0.740496 F\n0.740497 0.740496 0.259503 F\n","nsites":10,"nelements":4,"elements":["K","Li","Tl","F"],"chemical_system":"F-K-Li-Tl","density":4.526522042535084,"density_atomic":0.0675553611652172,"volume":148.0267417347298,"volume_molar":8.914378749707094,"formula_full":"K2 Li1 Tl1 F6","formula_reduced":"K2LiTlF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-10267","created_at":"2022-09-04T14:38:11.463099Z","updated_at":"2022-09-04T14:38:11.463131Z","structure_string":"K10 As4 Au2\n1.0\n2.849213 -4.934982 -0.000000\n2.849213 4.934982 0.000000\n-0.000000 -0.000000 19.333929\nK As Au\n10 4 2\ndirect\n0.333333 0.666666 0.549702 K\n0.666666 0.333333 0.049702 K\n0.666666 0.333333 0.450298 K\n0.333333 0.666666 0.950298 K\n0.000000 0.000000 0.148006 K\n0.000000 0.000000 0.648006 K\n0.000000 0.000000 0.851994 K\n0.000000 0.000000 0.351994 K\n0.333333 0.666666 0.750000 K\n0.666666 0.333333 0.250000 K\n0.333333 0.666666 0.119724 As\n0.666666 0.333333 0.619724 As\n0.333333 0.666666 0.380276 As\n0.666666 0.333333 0.880276 As\n0.666666 0.333333 0.750000 Au\n0.333333 0.666666 0.250000 Au\n","nsites":16,"nelements":3,"elements":["K","As","Au"],"chemical_system":"As-Au-K","density":3.3125245726340817,"density_atomic":0.029427907172026264,"volume":543.7015927251995,"volume_molar":20.4640470176709,"formula_full":"K10 As4 Au2","formula_reduced":"K5As2Au","formula_anonymous":"AB2C5","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-5413","created_at":"2022-09-04T14:38:04.392120Z","updated_at":"2022-09-04T14:38:04.392146Z","structure_string":"Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n","nsites":4,"nelements":2,"elements":["Tb","Br"],"chemical_system":"Br-Tb","density":6.4666923390704145,"density_atomic":0.03261184735540558,"volume":122.65481180528646,"volume_molar":18.466113539568617,"formula_full":"Tb2 Br2","formula_reduced":"TbBr","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-37606","created_at":"2022-09-04T14:38:01.107623Z","updated_at":"2022-09-04T14:38:01.107661Z","structure_string":"Yb3 In3 Ge2 Au1\n1.0\n3.691238 -6.393412 -0.000000\n3.691238 6.393412 -0.000000\n0.000000 -0.000000 4.413830\nYb In Ge Au\n3 3 2 1\ndirect\n0.414434 0.414434 0.500000 Yb\n0.585566 0.000000 0.500000 Yb\n0.000000 0.585566 0.500000 Yb\n0.747156 0.747156 0.000000 In\n0.252844 0.000000 0.000000 In\n0.000000 0.252844 0.000000 In\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.000000 0.500000 Au\n","nsites":9,"nelements":4,"elements":["Yb","In","Ge","Au"],"chemical_system":"Au-Ge-In-Yb","density":9.611284824793124,"density_atomic":0.0432008380406244,"volume":208.32929193495616,"volume_molar":13.939870227371541,"formula_full":"Yb3 In3 Ge2 Au1","formula_reduced":"Yb3In3Ge2Au","formula_anonymous":"AB2C3D3","energy_above_hull":0.0,"spacegroup":189}]}