{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4634","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4632","results":[{"id":"jvasp-22191","created_at":"2022-09-04T14:37:29.766203Z","updated_at":"2022-09-04T14:37:29.766222Z","structure_string":"Rb2 Na1 Ti1 F6\n1.0\n5.222382 -0.000000 3.015143\n1.740794 4.923709 3.015143\n0.000000 0.000000 6.030287\nRb Na Ti F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.233330 0.766669 0.766669 F\n0.233330 0.766669 0.233331 F\n0.766668 0.233331 0.766669 F\n0.233331 0.233331 0.766669 F\n0.766668 0.233331 0.233331 F\n0.766668 0.766669 0.233331 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Ti","F"],"chemical_system":"F-Na-Rb-Ti","density":3.8100882652077934,"density_atomic":0.06449128117484704,"volume":155.05971997808925,"volume_molar":9.337914599142376,"formula_full":"Rb2 Na1 Ti1 F6","formula_reduced":"Rb2NaTiF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-81008","created_at":"2022-09-04T14:37:15.682591Z","updated_at":"2022-09-04T14:37:15.682623Z","structure_string":"Na1 Tl2 Hg1\n1.0\n-11.217027 0.000003 -6.476154\n-3.997106 -0.487042 -6.029116\n-4.841783 -2.876156 -4.566091\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.738993 -0.000002 0.000001 Tl\n0.261008 -0.000001 0.000000 Tl\n0.500000 -0.000001 0.000001 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":9.512441174147002,"density_atomic":0.036236633923876514,"volume":110.38552886570345,"volume_molar":16.618929817407732,"formula_full":"Na1 Tl2 Hg1","formula_reduced":"NaTl2Hg","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":71},{"id":"jvasp-11430","created_at":"2022-09-04T14:37:15.228675Z","updated_at":"2022-09-04T14:37:15.228691Z","structure_string":"Ba4 Ca4 Ge4\n1.0\n5.074501 0.000000 0.000000\n-0.000000 8.583408 0.000000\n0.000000 0.000000 9.102159\nBa Ca Ge\n4 4 4\ndirect\n0.250000 0.027827 0.175195 Ba\n0.750000 0.972173 0.824806 Ba\n0.250000 0.527827 0.324805 Ba\n0.750000 0.472173 0.675195 Ba\n0.750000 0.858425 0.424094 Ca\n0.250000 0.641575 0.924094 Ca\n0.750000 0.358425 0.075907 Ca\n0.250000 0.141575 0.575907 Ca\n0.250000 0.283082 0.891911 Ge\n0.750000 0.216918 0.391911 Ge\n0.250000 0.783082 0.608089 Ge\n0.750000 0.716918 0.108089 Ge\n","nsites":12,"nelements":3,"elements":["Ba","Ca","Ge"],"chemical_system":"Ba-Ca-Ge","density":4.1891869963311885,"density_atomic":0.030268000284652246,"volume":396.45830207305585,"volume_molar":19.896064171287854,"formula_full":"Ba4 Ca4 Ge4","formula_reduced":"BaCaGe","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-11162","created_at":"2022-09-04T14:37:16.723095Z","updated_at":"2022-09-04T14:37:16.723120Z","structure_string":"Na1 Tl2 Rh1 F6\n1.0\n5.231680 0.000000 3.020512\n1.743893 4.932475 3.020512\n-0.000000 0.000000 6.041025\nNa Tl Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 Na\n0.749999 0.750001 0.749999 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Rh\n0.234665 0.765335 0.765333 F\n0.234665 0.765335 0.234665 F\n0.765334 0.234666 0.765333 F\n0.234666 0.234666 0.765333 F\n0.765334 0.234666 0.234665 F\n0.765333 0.765335 0.234665 F\n","nsites":10,"nelements":4,"elements":["Na","Tl","Rh","F"],"chemical_system":"F-Na-Rh-Tl","density":6.909463933640875,"density_atomic":0.06414802682098462,"volume":155.88944033939822,"volume_molar":9.387881527214782,"formula_full":"Na1 Tl2 Rh1 F6","formula_reduced":"NaTl2RhF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-41783","created_at":"2022-09-04T14:37:34.014542Z","updated_at":"2022-09-04T14:37:34.014563Z","structure_string":"Ca2 Cd1 Sn1\n1.0\n-0.000000 3.810032 3.810032\n3.810032 -0.000000 3.810032\n3.810032 3.810032 0.000000\nCa Cd Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.249999 0.249999 0.249999 Cd\n0.749999 0.749999 0.749999 Sn\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Sn"],"chemical_system":"Ca-Cd-Sn","density":4.672833041990726,"density_atomic":0.03616130756409485,"volume":110.6154691146087,"volume_molar":16.653548131040154,"formula_full":"Ca2 Cd1 Sn1","formula_reduced":"Ca2CdSn","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-21969","created_at":"2022-09-04T14:37:33.466464Z","updated_at":"2022-09-04T14:37:33.466474Z","structure_string":"Rb2 Zr1 F6\n1.0\n3.070734 -5.318667 0.000000\n3.070734 5.318667 -0.000000\n0.000000 -0.000000 4.767223\nRb Zr F\n2 1 6\ndirect\n0.333332 0.666666 0.299646 Rb\n0.666666 0.333332 0.700353 Rb\n0.000000 0.000000 0.000000 Zr\n0.839889 0.679780 0.232323 F\n0.839890 0.160109 0.232323 F\n0.320218 0.160109 0.232323 F\n0.160109 0.320218 0.767677 F\n0.160109 0.839890 0.767677 F\n0.679780 0.839889 0.767677 F\n","nsites":9,"nelements":3,"elements":["Rb","Zr","F"],"chemical_system":"F-Rb-Zr","density":4.011157587978665,"density_atomic":0.05779656770605739,"volume":155.7185894804745,"volume_molar":10.419547386667473,"formula_full":"Rb2 Zr1 F6","formula_reduced":"Rb2ZrF6","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-36105","created_at":"2022-09-04T14:37:33.464895Z","updated_at":"2022-09-04T14:37:33.464925Z","structure_string":"Ce2 Zn2 In2\n1.0\n4.769709 0.000166 0.000000\n-2.384712 4.130772 -0.000000\n-0.000000 -0.000000 7.254089\nCe Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500001 Ce\n0.333328 0.666670 0.749999 Zn\n0.666671 0.333327 0.250000 Zn\n0.333336 0.666667 0.250000 In\n0.666664 0.333333 0.749999 In\n","nsites":6,"nelements":3,"elements":["Ce","Zn","In"],"chemical_system":"Ce-In-Zn","density":7.443541570368927,"density_atomic":0.04197942995960334,"volume":142.9271432645412,"volume_molar":14.345456252729218,"formula_full":"Ce2 Zn2 In2","formula_reduced":"CeZnIn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-81190","created_at":"2022-09-04T14:37:19.296638Z","updated_at":"2022-09-04T14:37:19.296666Z","structure_string":"Na1 Hg2 Bi1\n1.0\n-8.689135 -0.204514 -10.019899\n-4.905778 -1.677586 -1.969845\n-4.300237 3.383186 -5.227316\nNa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.747161 -0.000324 0.022487 Hg\n0.252839 0.000324 -0.022486 Hg\n0.499999 0.000002 0.000002 Bi\n","nsites":4,"nelements":3,"elements":["Na","Hg","Bi"],"chemical_system":"Bi-Hg-Na","density":9.735551693808159,"density_atomic":0.03703946743838105,"volume":107.9929134147085,"volume_molar":16.25871314164667,"formula_full":"Na1 Hg2 Bi1","formula_reduced":"NaHg2Bi","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-35662","created_at":"2022-09-04T14:37:29.421457Z","updated_at":"2022-09-04T14:37:29.421490Z","structure_string":"Li1 Ca1 F3\n1.0\n3.715541 0.000000 -0.000000\n0.000000 3.715541 -0.000000\n0.000000 0.000000 3.715541\nLi Ca F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":5,"nelements":3,"elements":["Li","Ca","F"],"chemical_system":"Ca-F-Li","density":3.3672518231072512,"density_atomic":0.09747737611095664,"volume":51.293953525263085,"volume_molar":6.1779881653206505,"formula_full":"Li1 Ca1 F3","formula_reduced":"LiCaF3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-40998","created_at":"2022-09-04T14:37:34.017969Z","updated_at":"2022-09-04T14:37:34.017994Z","structure_string":"Li1 Mg1 Tl2\n1.0\n0.000000 3.589020 3.589020\n3.589020 -0.000000 3.589020\n3.589020 3.589020 -0.000000\nLi Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n","nsites":4,"nelements":3,"elements":["Li","Mg","Tl"],"chemical_system":"Li-Mg-Tl","density":7.902355793079429,"density_atomic":0.0432615783620483,"volume":92.46079665713363,"volume_molar":13.920298306274905,"formula_full":"Li1 Mg1 Tl2","formula_reduced":"LiMgTl2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-79874","created_at":"2022-09-04T14:37:16.742109Z","updated_at":"2022-09-04T14:37:16.742129Z","structure_string":"Li1 Pm1 Hg2\n1.0\n0.000000 3.599669 3.599669\n3.599669 0.000000 3.599669\n3.599669 3.599669 0.000000\nLi Pm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","Pm","Hg"],"chemical_system":"Hg-Li-Pm","density":9.84581214403188,"density_atomic":0.04287876732097875,"volume":93.28626380644508,"volume_molar":14.04457529042264,"formula_full":"Li1 Pm1 Hg2","formula_reduced":"LiPmHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-10211","created_at":"2022-09-04T14:37:29.747365Z","updated_at":"2022-09-04T14:37:29.747378Z","structure_string":"Ca2 Pd2 F8\n1.0\n5.055321 -0.000000 -2.340491\n-1.083590 4.937823 -2.340491\n-0.014110 -0.017542 6.599363\nCa Pd F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Ca\n0.750000 0.750000 0.500000 Ca\n-0.000000 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.960045 0.460045 0.272855 F\n0.687190 0.187190 0.727145 F\n0.039955 0.539955 0.727145 F\n0.187190 0.039955 0.727145 F\n0.312810 0.812810 0.272855 F\n0.460045 0.312810 0.272855 F\n0.812810 0.960045 0.272855 F\n0.539955 0.687190 0.727145 F\n","nsites":12,"nelements":3,"elements":["Ca","Pd","F"],"chemical_system":"Ca-F-Pd","density":4.496785951411986,"density_atomic":0.07302822151959842,"volume":164.32003614903297,"volume_molar":8.246319894814707,"formula_full":"Ca2 Pd2 F8","formula_reduced":"CaPdF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":140}]}