HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1556",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1554",
"results": [
{
"id": "jvasp-120890",
"created_at": "2022-09-04T14:38:54.304948Z",
"updated_at": "2022-09-04T14:38:54.304973Z",
"structure_string": "Ta1 Ag1 F3\n1.0\n4.196414 -0.000000 -0.000000\n-0.000000 4.196414 -0.000000\n-0.000000 0.000000 4.196414\nTa Ag F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.499999 F\n0.499999 0.000000 0.000000 F\n0.000000 0.499999 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ta",
"density": 7.770577266321302,
"density_atomic": 0.06766047192175652,
"volume": 73.8983908622758,
"volume_molar": 8.900530234202453,
"formula_full": "Ta1 Ag1 F3",
"formula_reduced": "TaAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9657614614999992,
"spacegroup": 221
},
{
"id": "jvasp-118270",
"created_at": "2022-09-04T14:38:38.083234Z",
"updated_at": "2022-09-04T14:38:38.083257Z",
"structure_string": "In2 O3 F1\n1.0\n3.354372 0.000000 0.000000\n0.000000 3.423095 3.605091\n0.000000 -3.423095 3.605091\nIn O F\n2 3 1\ndirect\n0.000000 0.014811 0.014811 In\n0.499999 0.490961 0.490961 In\n0.499999 0.192914 0.192914 O\n0.000000 0.303766 0.693735 O\n0.000000 0.693735 0.303766 O\n0.499999 0.803812 0.803812 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"O",
"F"
],
"chemical_system": "F-In-O",
"density": 5.949652172663475,
"density_atomic": 0.07247276762435377,
"volume": 82.78971807865328,
"volume_molar": 8.309522262506114,
"formula_full": "In2 O3 F1",
"formula_reduced": "In2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9658678283333336,
"spacegroup": 38
},
{
"id": "jvasp-1825",
"created_at": "2022-09-04T14:36:31.283058Z",
"updated_at": "2022-09-04T14:36:31.283081Z",
"structure_string": "Li1 Ho1 S2\n1.0\n3.694201 -0.006147 5.375527\n1.664516 3.297961 5.375527\n-0.010007 -0.006147 6.522523\nLi Ho S\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Ho\n0.249401 0.249400 0.249401 S\n0.750600 0.750598 0.750600 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ho",
"S"
],
"chemical_system": "Ho-Li-S",
"density": 4.912273907765718,
"density_atomic": 0.05013938893979654,
"volume": 79.77759770472846,
"volume_molar": 12.010798071813193,
"formula_full": "Li1 Ho1 S2",
"formula_reduced": "LiHoS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9661663916666666,
"spacegroup": 166
},
{
"id": "jvasp-14869",
"created_at": "2022-09-04T14:36:32.471627Z",
"updated_at": "2022-09-04T14:36:32.471651Z",
"structure_string": "Dy1 Rh1\n1.0\n3.412268 -0.000000 0.000000\n-0.000000 3.412268 0.000000\n-0.000000 -0.000000 3.412268\nDy Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Rh"
],
"chemical_system": "Dy-Rh",
"density": 11.092504557472886,
"density_atomic": 0.05033853770862178,
"volume": 39.730991225385715,
"volume_molar": 11.963281084679883,
"formula_full": "Dy1 Rh1",
"formula_reduced": "DyRh",
"formula_anonymous": "AB",
"energy_above_hull": 0.96629475,
"spacegroup": 221
},
{
"id": "jvasp-11132",
"created_at": "2022-09-04T14:36:51.867597Z",
"updated_at": "2022-09-04T14:36:51.867629Z",
"structure_string": "Nd4 S8\n1.0\n0.000000 8.052008 -0.012495\n4.043184 0.000000 0.000000\n0.000000 -0.005739 -8.136940\nNd S\n4 8\ndirect\n0.370720 0.287010 0.724508 Nd\n0.129280 0.787010 0.275492 Nd\n0.629280 0.712989 0.275492 Nd\n0.870720 0.212989 0.724507 Nd\n0.391459 0.840728 0.997655 S\n0.108541 0.340729 0.002344 S\n0.608541 0.159271 0.002344 S\n0.891459 0.659270 0.997655 S\n0.874869 0.240162 0.367086 S\n0.625131 0.740162 0.632913 S\n0.125131 0.759837 0.632913 S\n0.374869 0.259837 0.367087 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"S"
],
"chemical_system": "Nd-S",
"density": 5.2246735080083875,
"density_atomic": 0.04529934823461313,
"volume": 264.9044736328199,
"volume_molar": 13.294100234754582,
"formula_full": "Nd4 S8",
"formula_reduced": "NdS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9663105,
"spacegroup": 14
},
{
"id": "jvasp-18739",
"created_at": "2022-09-04T14:36:07.920126Z",
"updated_at": "2022-09-04T14:36:07.920144Z",
"structure_string": "Li1 Pd2 Pb1\n1.0\n3.972406 0.000000 2.293470\n1.324135 3.745220 2.293470\n-0.000000 0.000000 4.586940\nLi Pd Pb\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Li\n0.250001 0.250000 0.250000 Pd\n0.750002 0.750000 0.749999 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pd",
"Pb"
],
"chemical_system": "Li-Pb-Pd",
"density": 10.389714771593791,
"density_atomic": 0.058614622039305106,
"volume": 68.24235763761689,
"volume_molar": 10.27412708719975,
"formula_full": "Li1 Pd2 Pb1",
"formula_reduced": "LiPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9663405550000002,
"spacegroup": 225
},
{
"id": "jvasp-90453",
"created_at": "2022-09-04T14:36:20.076330Z",
"updated_at": "2022-09-04T14:36:20.076351Z",
"structure_string": "Mg6 Nb1 C1\n1.0\n6.130634 0.964036 0.000000\n-2.230438 5.791302 0.000000\n0.000000 0.000000 4.418279\nMg Nb C\n6 1 1\ndirect\n0.209427 0.902032 0.250000 Mg\n0.597967 0.290573 0.250000 Mg\n0.701216 0.798783 0.250000 Mg\n0.424252 0.614651 0.750000 Mg\n0.885349 0.075749 0.750000 Mg\n0.913612 0.586388 0.750000 Mg\n0.128367 0.371633 0.250000 Nb\n0.139808 0.360192 0.750000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"C"
],
"chemical_system": "C-Mg-Nb",
"density": 2.5027305182522466,
"density_atomic": 0.04808604900354978,
"volume": 166.36842006731368,
"volume_molar": 12.523675545802146,
"formula_full": "Mg6 Nb1 C1",
"formula_reduced": "Mg6NbC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.9663567124999998,
"spacegroup": 38
},
{
"id": "jvasp-105838",
"created_at": "2022-09-04T14:36:04.174228Z",
"updated_at": "2022-09-04T14:36:04.174261Z",
"structure_string": "Pm2 Bi6\n1.0\n6.896937 -0.000000 -0.000000\n-3.448470 5.972924 0.000000\n-0.000000 -0.000000 6.051578\nPm Bi\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.172925 0.345850 0.250000 Bi\n0.654150 0.827074 0.250000 Bi\n0.172925 0.827074 0.250000 Bi\n0.827075 0.654149 0.750000 Bi\n0.345850 0.172925 0.750000 Bi\n0.827075 0.172925 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Bi"
],
"chemical_system": "Bi-Pm",
"density": 10.28374811521402,
"density_atomic": 0.03209061970606325,
"volume": 249.29403275089973,
"volume_molar": 18.7660469481746,
"formula_full": "Pm2 Bi6",
"formula_reduced": "PmBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.96637101875,
"spacegroup": 194
},
{
"id": "jvasp-92867",
"created_at": "2022-09-04T14:36:16.496524Z",
"updated_at": "2022-09-04T14:36:16.496562Z",
"structure_string": "Mg6 Nb1 C1\n1.0\n6.130231 0.964679 0.000000\n-2.229680 5.791274 0.000000\n0.000000 0.000000 4.418436\nMg Nb C\n6 1 1\ndirect\n0.209415 0.902049 0.250000 Mg\n0.597950 0.290585 0.250000 Mg\n0.701185 0.798814 0.250000 Mg\n0.424255 0.614605 0.750001 Mg\n0.885395 0.075745 0.750001 Mg\n0.913606 0.586394 0.750001 Mg\n0.128364 0.371635 0.250000 Nb\n0.139831 0.360169 0.750001 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"C"
],
"chemical_system": "C-Mg-Nb",
"density": 2.5027614008444625,
"density_atomic": 0.04808664236421399,
"volume": 166.3663671796222,
"volume_molar": 12.523521011069112,
"formula_full": "Mg6 Nb1 C1",
"formula_reduced": "Mg6NbC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.9663892124999998,
"spacegroup": 38
},
{
"id": "jvasp-79199",
"created_at": "2022-09-04T14:37:11.346968Z",
"updated_at": "2022-09-04T14:37:11.346993Z",
"structure_string": "S4\n1.0\n0.000000 0.000000 3.197640\n4.523008 0.000000 0.000000\n0.000000 4.523008 0.000000\nS\n4\ndirect\n0.500000 0.249959 0.750042 S\n0.500000 0.750042 0.249959 S\n0.000000 0.250042 0.250042 S\n0.000000 0.749959 0.749959 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.255787513751293,
"density_atomic": 0.0611470784320487,
"volume": 65.41604443857617,
"volume_molar": 9.848615689288023,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.9664700000000002,
"spacegroup": 229
},
{
"id": "jvasp-14533",
"created_at": "2022-09-04T14:38:10.134244Z",
"updated_at": "2022-09-04T14:38:10.134261Z",
"structure_string": "Yb1 Pd3\n1.0\n4.057917 0.000000 -0.000000\n-0.000000 4.057917 -0.000000\n0.000000 0.000000 4.057917\nYb Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Pd"
],
"chemical_system": "Pd-Yb",
"density": 12.234027541264144,
"density_atomic": 0.05986190204401374,
"volume": 66.8204628222301,
"volume_molar": 10.060055819095414,
"formula_full": "Yb1 Pd3",
"formula_reduced": "YbPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9665179666666668,
"spacegroup": 221
},
{
"id": "jvasp-53122",
"created_at": "2022-09-04T14:37:28.388097Z",
"updated_at": "2022-09-04T14:37:28.388123Z",
"structure_string": "Li6 Br3 N1\n1.0\n5.426456 0.002155 3.131080\n1.810746 5.115539 3.131423\n-0.000104 0.000147 6.262503\nLi Br N\n6 3 1\ndirect\n0.293302 0.706700 0.137729 Li\n0.227483 0.198973 0.801167 Li\n0.137744 0.862258 0.735217 Li\n0.890703 0.109299 0.293251 Li\n0.735237 0.264765 0.890661 Li\n0.801028 0.772518 0.227624 Li\n0.264156 0.235834 0.264096 Br\n0.514168 0.485834 0.514125 Br\n0.764168 0.735846 0.764083 Br\n0.014220 0.985781 0.014232 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Br",
"N"
],
"chemical_system": "Br-Li-N",
"density": 2.821714740588749,
"density_atomic": 0.05753146316490992,
"volume": 173.81793282982738,
"volume_molar": 10.467560581134455,
"formula_full": "Li6 Br3 N1",
"formula_reduced": "Li6Br3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.9665545565,
"spacegroup": 87
}
]
}