{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4551","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4549","results":[{"id":"jvasp-32828","created_at":"2022-09-04T14:38:04.996143Z","updated_at":"2022-09-04T14:38:04.996173Z","structure_string":"Sn1 I4\n1.0\n6.084812 0.000000 -0.000000\n-0.000000 6.084812 -0.000000\n-0.000000 0.000000 6.084812\nSn I\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.257923 0.742076 0.742076 I\n0.742076 0.257923 0.742076 I\n0.742076 0.742076 0.257923 I\n0.257923 0.257923 0.257923 I\n","nsites":5,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":4.616462880415994,"density_atomic":0.022193638648807704,"volume":225.28978141529814,"volume_molar":27.134535509451144,"formula_full":"Sn1 I4","formula_reduced":"SnI4","formula_anonymous":"AB4","energy_above_hull":0.0,"spacegroup":215},{"id":"jvasp-111379","created_at":"2022-09-04T14:38:26.256947Z","updated_at":"2022-09-04T14:38:26.256969Z","structure_string":"Cd3 Hg1\n1.0\n3.112140 -0.000000 0.000000\n-1.556070 2.695192 0.000000\n-0.000000 -0.000000 11.212629\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.753258 Cd\n0.333333 0.666666 0.246742 Cd\n0.000000 0.000000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Cd","Hg"],"chemical_system":"Cd-Hg","density":9.495813608229495,"density_atomic":0.042530814932974954,"volume":94.04945581935519,"volume_molar":14.159476533638953,"formula_full":"Cd3 Hg1","formula_reduced":"Cd3Hg","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-117340","created_at":"2022-09-04T14:38:26.436691Z","updated_at":"2022-09-04T14:38:26.436712Z","structure_string":"La6 Mg23 P1\n1.0\n8.898631 0.000000 5.137627\n2.966210 8.389710 5.137627\n-0.000000 -0.000000 10.275254\nLa Mg P\n6 23 1\ndirect\n0.797528 0.797528 0.202473 La\n0.202472 0.797528 0.202473 La\n0.797528 0.202472 0.202473 La\n0.202472 0.202472 0.797528 La\n0.797528 0.202472 0.797528 La\n0.202472 0.797528 0.797528 La\n0.378318 0.865046 0.378318 Mg\n0.865046 0.378318 0.378318 Mg\n0.378318 0.378318 0.378318 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.378318 0.378318 0.865046 Mg\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621682 0.621682 0.621682 Mg\n0.621682 0.621682 0.134955 Mg\n0.621682 0.134954 0.621682 Mg\n0.500000 0.500000 0.500000 Mg\n0.171552 0.171552 0.171552 Mg\n0.485343 0.171552 0.171552 Mg\n0.171552 0.485343 0.171552 Mg\n0.171552 0.171552 0.485343 Mg\n0.828448 0.828448 0.828448 Mg\n0.514657 0.828448 0.828448 Mg\n0.828448 0.514657 0.828448 Mg\n0.828448 0.828448 0.514657 Mg\n0.134954 0.621682 0.621682 Mg\n0.000000 0.000000 0.000000 P\n","nsites":30,"nelements":3,"elements":["La","Mg","P"],"chemical_system":"La-Mg-P","density":3.0812002903482374,"density_atomic":0.03910736376197992,"volume":767.1189544401334,"volume_molar":15.398994411008367,"formula_full":"La6 Mg23 P1","formula_reduced":"La6Mg23P","formula_anonymous":"AB6C23","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-19951","created_at":"2022-09-04T14:38:13.461668Z","updated_at":"2022-09-04T14:38:13.461699Z","structure_string":"Ba2 Ge2\n1.0\n4.332919 0.000000 -0.000000\n0.000000 4.663411 -1.974784\n0.000000 0.029335 6.562940\nBa Ge\n2 2\ndirect\n0.250000 0.861539 0.723076 Ba\n0.750000 0.138462 0.276924 Ba\n0.250000 0.565563 0.131127 Ge\n0.750000 0.434438 0.868874 Ge\n","nsites":4,"nelements":2,"elements":["Ba","Ge"],"chemical_system":"Ba-Ge","density":5.248391045089422,"density_atomic":0.030106206830572954,"volume":132.86296817498732,"volume_molar":20.002987403529346,"formula_full":"Ba2 Ge2","formula_reduced":"BaGe","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":63},{"id":"jvasp-108115","created_at":"2022-09-04T14:38:19.967339Z","updated_at":"2022-09-04T14:38:19.967363Z","structure_string":"K5 Br4 Cl1\n1.0\n7.855589 -0.003100 -1.331646\n-5.606136 5.502865 -1.331646\n0.001268 0.003100 7.967657\nK Br Cl\n5 4 1\ndirect\n0.597035 0.207973 0.805008 K\n0.402965 0.792028 0.194992 K\n0.792027 0.597035 0.389061 K\n0.000000 0.000000 0.000000 K\n0.207973 0.402966 0.610938 K\n0.902556 0.299992 0.202547 Br\n0.299992 0.097444 0.397437 Br\n0.700009 0.902556 0.602563 Br\n0.097445 0.700009 0.797453 Br\n0.500000 0.500000 -0.000000 Cl\n","nsites":10,"nelements":3,"elements":["K","Br","Cl"],"chemical_system":"Br-Cl-K","density":2.65490338316783,"density_atomic":0.029039863708279233,"volume":344.3542332173209,"volume_molar":20.73749663736574,"formula_full":"K5 Br4 Cl1","formula_reduced":"K5Br4Cl","formula_anonymous":"AB4C5","energy_above_hull":0.0,"spacegroup":87},{"id":"jvasp-31174","created_at":"2022-09-04T14:38:08.760351Z","updated_at":"2022-09-04T14:38:08.760367Z","structure_string":"Ag1 As1 F6\n1.0\n5.926013 0.000000 0.000000\n2.963006 5.132078 0.000000\n2.963006 1.710692 4.838569\nAg As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.212595 0.787406 0.212594 F\n0.212595 0.212594 0.787406 F\n0.787406 0.212594 0.212594 F\n0.212595 0.787406 0.787406 F\n0.787406 0.787406 0.212594 F\n0.787406 0.212594 0.787406 F\n","nsites":8,"nelements":3,"elements":["Ag","As","F"],"chemical_system":"Ag-As-F","density":3.3489700359955172,"density_atomic":0.054364725571324435,"volume":147.15424231295543,"volume_molar":11.07729450799707,"formula_full":"Ag1 As1 F6","formula_reduced":"AgAsF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-64676","created_at":"2022-09-04T14:38:08.359350Z","updated_at":"2022-09-04T14:38:08.359366Z","structure_string":"Ba4 Tl1 Bi1\n1.0\n0.000000 5.046004 5.046004\n5.046004 0.000000 5.046004\n5.046004 5.046004 0.000000\nBa Tl Bi\n4 1 1\ndirect\n0.127874 0.624042 0.624042 Ba\n0.624042 0.624042 0.624042 Ba\n0.624042 0.127874 0.624042 Ba\n0.624042 0.624042 0.127874 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Bi\n","nsites":6,"nelements":3,"elements":["Ba","Tl","Bi"],"chemical_system":"Ba-Bi-Tl","density":6.220918838631618,"density_atomic":0.023349548292977862,"volume":256.96428576326844,"volume_molar":25.79125165265444,"formula_full":"Ba4 Tl1 Bi1","formula_reduced":"Ba4TlBi","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-110106","created_at":"2022-09-04T14:38:19.868047Z","updated_at":"2022-09-04T14:38:19.868064Z","structure_string":"Yb1 Ga2 Cu3\n1.0\n5.211395 0.000000 0.000000\n-2.605698 4.513200 0.000000\n-0.000000 -0.000000 4.034876\nYb Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 -0.000000 Ga\n0.666666 0.333333 -0.000000 Ga\n0.500000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.499999 0.500000 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Yb","Ga","Cu"],"chemical_system":"Cu-Ga-Yb","density":8.803499989467376,"density_atomic":0.06322407533993872,"volume":94.90055754456867,"volume_molar":9.525075262264542,"formula_full":"Yb1 Ga2 Cu3","formula_reduced":"YbGa2Cu3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":191},{"id":"jvasp-14549","created_at":"2022-09-04T14:38:13.617868Z","updated_at":"2022-09-04T14:38:13.617886Z","structure_string":"Er1 Tl3\n1.0\n4.732367 -0.000000 -0.000000\n0.000000 4.732367 -0.000000\n0.000000 -0.000000 4.732367\nEr Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n","nsites":4,"nelements":2,"elements":["Er","Tl"],"chemical_system":"Er-Tl","density":12.227454608268246,"density_atomic":0.03774198516339261,"volume":105.98276647831848,"volume_molar":15.956078446666085,"formula_full":"Er1 Tl3","formula_reduced":"ErTl3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":221},{"id":"jvasp-117305","created_at":"2022-09-04T14:38:26.360857Z","updated_at":"2022-09-04T14:38:26.360868Z","structure_string":"Sr4 F8\n1.0\n3.788826 -0.000000 0.000000\n0.000000 6.305555 0.000000\n-0.000000 -0.000000 7.460389\nSr F\n4 8\ndirect\n0.750001 0.251711 0.385065 Sr\n0.750001 0.751711 0.114935 Sr\n0.250000 0.748290 0.614935 Sr\n0.250000 0.248290 0.885065 Sr\n0.750001 0.143261 0.071325 F\n0.750001 0.643262 0.428675 F\n0.250000 0.856739 0.928675 F\n0.250000 0.356739 0.571325 F\n0.750001 0.526744 0.831214 F\n0.750001 0.026744 0.668786 F\n0.250000 0.473257 0.168786 F\n0.250000 0.973257 0.331214 F\n","nsites":12,"nelements":2,"elements":["Sr","F"],"chemical_system":"F-Sr","density":4.681309818710758,"density_atomic":0.06732739229833337,"volume":178.23354789722117,"volume_molar":8.944562613260565,"formula_full":"Sr4 F8","formula_reduced":"SrF2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-108976","created_at":"2022-09-04T14:38:11.165016Z","updated_at":"2022-09-04T14:38:11.165044Z","structure_string":"K3 Ir1 F6\n1.0\n5.460195 -0.000000 3.152445\n1.820065 5.147921 3.152445\n-0.000000 -0.000000 6.304890\nK Ir F\n3 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ir\n0.772752 0.227249 0.227250 F\n0.227250 0.227249 0.772751 F\n0.227250 0.772750 0.772751 F\n0.227250 0.772750 0.227250 F\n0.772752 0.227249 0.772751 F\n0.772752 0.772750 0.227250 F\n","nsites":10,"nelements":3,"elements":["K","Ir","F"],"chemical_system":"F-Ir-K","density":3.968143324535459,"density_atomic":0.05642641511292363,"volume":177.22196208969598,"volume_molar":10.67255601467533,"formula_full":"K3 Ir1 F6","formula_reduced":"K3IrF6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-58842","created_at":"2022-09-04T14:38:13.553542Z","updated_at":"2022-09-04T14:38:13.553559Z","structure_string":"Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n","nsites":20,"nelements":3,"elements":["Tl","Cd","Cl"],"chemical_system":"Cd-Cl-Tl","density":5.305254349430621,"density_atomic":0.03775108036604501,"volume":529.7861625700356,"volume_molar":15.952234218484985,"formula_full":"Tl4 Cd4 Cl12","formula_reduced":"TlCdCl3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":62}]}