{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=82","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=80","results":[{"id":"jvasp-105614","created_at":"2022-09-04T14:35:45.675421Z","updated_at":"2022-09-04T14:35:45.675437Z","structure_string":"K3 Y1 Cl6\n1.0\n6.750588 -0.000000 3.897453\n2.250196 6.364515 3.897453\n-0.000000 -0.000000 7.794907\nK Y Cl\n3 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Y\n0.763038 0.236962 0.236961 Cl\n0.236962 0.236962 0.763038 Cl\n0.236962 0.763039 0.763037 Cl\n0.236962 0.763039 0.236961 Cl\n0.763038 0.236962 0.763038 Cl\n0.763039 0.763039 0.236961 Cl\n","nsites":10,"nelements":3,"elements":["K","Y","Cl"],"chemical_system":"Cl-K-Y","density":2.0771173863162367,"density_atomic":0.02985947341760762,"volume":334.90208819634347,"volume_molar":20.16827515936315,"formula_full":"K3 Y1 Cl6","formula_reduced":"K3YCl6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-92195","created_at":"2022-09-04T14:35:50.202244Z","updated_at":"2022-09-04T14:35:50.202259Z","structure_string":"Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n","nsites":8,"nelements":3,"elements":["Ce","Mg","Zn"],"chemical_system":"Ce-Mg-Zn","density":3.050448760707722,"density_atomic":0.04182717041054847,"volume":191.2632368261389,"volume_molar":14.3976766797528,"formula_full":"Ce1 Mg6 Zn1","formula_reduced":"CeMg6Zn","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-86909","created_at":"2022-09-04T14:36:11.553636Z","updated_at":"2022-09-04T14:36:11.553665Z","structure_string":"Sr10 In6\n1.0\n7.870113 0.000000 -3.697611\n-1.737247 7.675979 -3.697611\n0.005210 0.006521 10.235394\nSr In\n10 6\ndirect\n0.028032 0.528032 0.707660 Sr\n0.320372 0.820373 0.292339 Sr\n0.971967 0.471968 0.292339 Sr\n0.500000 0.500000 -0.000000 Sr\n0.820372 0.971968 0.292339 Sr\n0.528032 0.679627 0.707660 Sr\n0.679627 0.179627 0.707660 Sr\n0.179627 0.028032 0.707660 Sr\n0.471967 0.320373 0.292339 Sr\n0.000000 0.000000 0.000000 Sr\n0.118081 0.381919 0.000000 In\n0.618081 0.118081 -0.000000 In\n0.881918 0.618081 -0.000000 In\n0.749999 0.750000 0.500000 In\n0.381918 0.881919 0.000000 In\n0.250000 0.250000 0.500000 In\n","nsites":16,"nelements":2,"elements":["Sr","In"],"chemical_system":"In-Sr","density":4.200564048158711,"density_atomic":0.025860337283458074,"volume":618.7080943539984,"volume_molar":23.287170209694622,"formula_full":"Sr10 In6","formula_reduced":"Sr5In3","formula_anonymous":"A3B5","energy_above_hull":0.0,"spacegroup":140},{"id":"jvasp-69242","created_at":"2022-09-04T14:35:44.235763Z","updated_at":"2022-09-04T14:35:44.235780Z","structure_string":"Ba2 Pb1 Cl1\n1.0\n-0.000000 4.189987 4.189987\n4.189987 0.000000 4.189987\n4.189987 4.189987 -0.000000\nBa Pb Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Pb","Cl"],"chemical_system":"Ba-Cl-Pb","density":5.83887839540485,"density_atomic":0.027188920768365692,"volume":147.11874862844869,"volume_molar":22.149245316889374,"formula_full":"Ba2 Pb1 Cl1","formula_reduced":"Ba2PbCl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-97337","created_at":"2022-09-04T14:35:47.570958Z","updated_at":"2022-09-04T14:35:47.570993Z","structure_string":"Na12 Hg8\n1.0\n7.745991 0.000000 0.000000\n0.000000 8.449348 0.000000\n0.000000 0.000000 8.449348\nNa Hg\n12 8\ndirect\n0.750000 0.500000 0.000000 Na\n0.000000 0.697478 0.302522 Na\n0.500000 0.197478 0.197478 Na\n0.000000 0.302522 0.697478 Na\n0.000000 0.140497 0.140497 Na\n0.500000 0.359503 0.640497 Na\n0.500000 0.802522 0.802522 Na\n0.000000 0.859503 0.859503 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.500000 0.000000 Na\n0.500000 0.640497 0.359503 Na\n0.698620 0.130498 0.869502 Hg\n0.801380 0.630498 0.630498 Hg\n0.801380 0.369502 0.369502 Hg\n0.301380 0.130498 0.869502 Hg\n0.301380 0.869502 0.130498 Hg\n0.198620 0.630498 0.630498 Hg\n0.698620 0.869502 0.130498 Hg\n0.198620 0.369502 0.369502 Hg\n","nsites":20,"nelements":2,"elements":["Na","Hg"],"chemical_system":"Hg-Na","density":5.647048355742262,"density_atomic":0.03616651085247577,"volume":552.9977741447211,"volume_molar":16.651152179330996,"formula_full":"Na12 Hg8","formula_reduced":"Na3Hg2","formula_anonymous":"A2B3","energy_above_hull":0.0,"spacegroup":136},{"id":"jvasp-80918","created_at":"2022-09-04T14:36:47.681062Z","updated_at":"2022-09-04T14:36:47.681092Z","structure_string":"Y1 Zn2 Au1\n1.0\n-10.981434 3.187810 -1.135227\n-7.919139 0.894348 1.582164\n-6.564029 4.727541 -0.763767\nY Zn Au\n1 2 1\ndirect\n-0.000000 0.000000 0.000000 Y\n0.749664 0.000190 0.000196 Zn\n0.250336 -0.000192 -0.000196 Zn\n0.500000 -0.000001 -0.000000 Au\n","nsites":4,"nelements":3,"elements":["Y","Zn","Au"],"chemical_system":"Au-Y-Zn","density":9.467077627448601,"density_atomic":0.05472847128557997,"volume":73.0881003258341,"volume_molar":11.003670701079372,"formula_full":"Y1 Zn2 Au1","formula_reduced":"YZn2Au","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101517","created_at":"2022-09-04T14:36:41.295519Z","updated_at":"2022-09-04T14:36:41.295538Z","structure_string":"Rb2 Y1 Ag1 F6\n1.0\n5.589605 -0.000000 3.227160\n1.863202 5.269930 3.227160\n-0.000000 -0.000000 6.454320\nRb Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.736578 0.263422 0.263422 F\n0.263422 0.263422 0.736578 F\n0.263422 0.736578 0.736578 F\n0.263422 0.736578 0.263422 F\n0.736578 0.263422 0.736577 F\n0.736578 0.736578 0.263422 F\n","nsites":10,"nelements":4,"elements":["Rb","Y","Ag","F"],"chemical_system":"Ag-F-Rb-Y","density":4.207163086217585,"density_atomic":0.052597310929001495,"volume":190.12378814381793,"volume_molar":11.449522140264909,"formula_full":"Rb2 Y1 Ag1 F6","formula_reduced":"Rb2YAgF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-95059","created_at":"2022-09-04T14:35:43.372827Z","updated_at":"2022-09-04T14:35:43.372853Z","structure_string":"Yb1 Cu4 Pd1\n1.0\n-3.499473 -3.499473 -0.000000\n-3.499473 -0.000000 -3.499473\n-0.000000 -3.499473 -3.499473\nYb Cu Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.874015 0.375328 0.375328 Cu\n0.375328 0.874015 0.375328 Cu\n0.375328 0.375328 0.874015 Cu\n0.375328 0.375328 0.375328 Cu\n0.749999 0.749999 0.749999 Pd\n","nsites":6,"nelements":3,"elements":["Yb","Cu","Pd"],"chemical_system":"Cu-Pd-Yb","density":10.338625199293784,"density_atomic":0.07000246183209724,"volume":85.71127133201628,"volume_molar":8.602755677999246,"formula_full":"Yb1 Cu4 Pd1","formula_reduced":"YbCu4Pd","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-86741","created_at":"2022-09-04T14:35:46.499932Z","updated_at":"2022-09-04T14:35:46.499950Z","structure_string":"Rb2 Au2 I6\n1.0\n7.024643 -0.057577 3.261862\n2.600762 6.525716 3.261862\n-0.127262 -0.085518 8.710718\nRb Au I\n2 2 6\ndirect\n0.276687 0.276688 0.221355 Rb\n0.723312 0.723312 0.778645 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.723793 0.723794 0.356819 I\n0.199348 0.721294 0.813808 I\n0.800651 0.278705 0.186192 I\n0.278705 0.800652 0.186191 I\n0.721294 0.199348 0.813809 I\n0.276206 0.276206 0.643181 I\n","nsites":10,"nelements":3,"elements":["Rb","Au","I"],"chemical_system":"Au-I-Rb","density":5.443615733935413,"density_atomic":0.024717130361103568,"volume":404.57771002966547,"volume_molar":24.36423918157109,"formula_full":"Rb2 Au2 I6","formula_reduced":"RbAuI3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-65729","created_at":"2022-09-04T14:36:22.456084Z","updated_at":"2022-09-04T14:36:22.456103Z","structure_string":"Ba1 Sr2 Tl1\n1.0\n4.181656 0.000000 0.000000\n0.000000 4.181656 -0.000000\n0.000000 -0.000000 10.386889\nBa Sr Tl\n1 2 1\ndirect\n0.500000 0.500000 0.691640 Ba\n0.000000 0.000000 0.013256 Sr\n0.500000 0.500000 0.311291 Sr\n0.000000 0.000000 0.483814 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Tl"],"chemical_system":"Ba-Sr-Tl","density":4.726240227499286,"density_atomic":0.02202307179271277,"volume":181.6277056011579,"volume_molar":27.344690226150338,"formula_full":"Ba1 Sr2 Tl1","formula_reduced":"BaSr2Tl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-92360","created_at":"2022-09-04T14:36:00.572246Z","updated_at":"2022-09-04T14:36:00.572272Z","structure_string":"Ca2 Ga1 Cu2\n1.0\n3.951522 0.000000 -1.603258\n-1.071401 4.673695 -2.640664\n-0.019583 -0.033118 5.622986\nCa Ga Cu\n2 1 2\ndirect\n0.802163 0.302162 0.604324 Ca\n0.197838 0.697837 0.395676 Ca\n0.000000 0.000000 0.000000 Ga\n0.500000 0.737357 -0.000000 Cu\n0.500000 0.262642 -0.000000 Cu\n","nsites":5,"nelements":3,"elements":["Ca","Ga","Cu"],"chemical_system":"Ca-Cu-Ga","density":4.452403535227308,"density_atomic":0.04840398601067705,"volume":103.29727801543223,"volume_molar":12.441414966675726,"formula_full":"Ca2 Ga1 Cu2","formula_reduced":"Ca2GaCu2","formula_anonymous":"AB2C2","energy_above_hull":0.0,"spacegroup":71},{"id":"jvasp-80248","created_at":"2022-09-04T14:37:16.187015Z","updated_at":"2022-09-04T14:37:16.187041Z","structure_string":"Mg1 Cd1 Hg2\n1.0\n-10.356514 -0.013557 -5.968267\n-6.746892 0.235082 -0.272793\n-5.811907 2.865864 -1.881002\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n0.756370 -0.000143 0.000142 Hg\n0.243631 0.000142 -0.000142 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Cd","Hg"],"chemical_system":"Cd-Hg-Mg","density":8.598383103236104,"density_atomic":0.03850608546930093,"volume":103.87968424339083,"volume_molar":15.639452015451344,"formula_full":"Mg1 Cd1 Hg2","formula_reduced":"MgCdHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":71}]}