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=formula_reduced&page=1128",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1126",
"results": [
{
"id": "jvasp-22650",
"created_at": "2022-09-04T14:36:10.513170Z",
"updated_at": "2022-09-04T14:36:10.513204Z",
"structure_string": "Cs2 Pd1 I6\n1.0\n6.924495 -0.000000 3.997859\n2.308165 6.528476 3.997859\n-0.000000 -0.000000 7.995718\nCs Pd I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.749999 0.750000 0.750001 Cs\n0.000000 0.000000 0.000000 Pd\n0.758303 0.758304 0.241697 I\n0.241695 0.758304 0.758304 I\n0.241695 0.758304 0.241696 I\n0.758303 0.241696 0.241697 I\n0.758303 0.241696 0.758305 I\n0.241696 0.241696 0.758304 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Pd",
"I"
],
"chemical_system": "Cs-I-Pd",
"density": 5.20803221806775,
"density_atomic": 0.02489918447781126,
"volume": 361.45762155464524,
"volume_molar": 24.186096397520934,
"formula_full": "Cs2 Pd1 I6",
"formula_reduced": "Cs2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8660",
"created_at": "2022-09-04T14:36:46.993797Z",
"updated_at": "2022-09-04T14:36:46.993806Z",
"structure_string": "Cs2 Sn1 I6\n1.0\n7.131587 -0.000000 4.117424\n2.377196 6.723724 4.117424\n-0.000000 -0.000000 8.234847\nCs Sn I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750001 0.750000 0.749999 Cs\n0.000000 0.000000 0.000000 Sn\n0.750112 0.750110 0.249888 I\n0.249890 0.750110 0.750110 I\n0.750111 0.249889 0.249889 I\n0.249890 0.249889 0.750111 I\n0.750111 0.249889 0.750110 I\n0.249890 0.750110 0.249889 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"I"
],
"chemical_system": "Cs-I-Sn",
"density": 4.819059701415981,
"density_atomic": 0.02279244483326727,
"volume": 394.8676882114827,
"volume_molar": 26.42165333317046,
"formula_full": "Cs2 Sn1 I6",
"formula_reduced": "Cs2SnI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22561",
"created_at": "2022-09-04T14:36:07.965755Z",
"updated_at": "2022-09-04T14:36:07.965780Z",
"structure_string": "Cs2 Te1 I6\n1.0\n7.175273 -0.000000 4.142646\n2.391758 6.764912 4.142646\n-0.000000 -0.000000 8.285291\nCs Te I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750001 Cs\n0.000000 0.000000 0.000000 Te\n0.746439 0.253561 0.253562 I\n0.746439 0.746439 0.253562 I\n0.253561 0.253561 0.746439 I\n0.746439 0.253561 0.746439 I\n0.253561 0.746439 0.253562 I\n0.253561 0.746439 0.746439 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Te",
"I"
],
"chemical_system": "Cs-I-Te",
"density": 4.768279584290383,
"density_atomic": 0.022378664319658684,
"volume": 402.1687743040987,
"volume_molar": 26.910188534843932,
"formula_full": "Cs2 Te1 I6",
"formula_reduced": "Cs2TeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5512",
"created_at": "2022-09-04T14:36:18.250754Z",
"updated_at": "2022-09-04T14:36:18.250779Z",
"structure_string": "C4 S12 N16\n1.0\n0.000000 5.402189 0.072317\n8.620240 0.000000 0.000000\n0.000000 -3.153233 -11.570669\nC S N\n4 12 16\ndirect\n0.389799 0.159292 0.715166 C\n0.610202 0.659292 0.784834 C\n0.610201 0.840708 0.284833 C\n0.389799 0.340708 0.215166 C\n0.165609 0.924207 0.165662 S\n0.165610 0.575793 0.665662 S\n0.834391 0.075793 0.834337 S\n0.959115 0.168734 0.379125 S\n0.040885 0.668734 0.120875 S\n0.834391 0.424207 0.334337 S\n0.959116 0.331266 0.879125 S\n0.642373 0.284180 0.505234 S\n0.357627 0.784179 0.994766 S\n0.357627 0.715820 0.494766 S\n0.642373 0.215820 0.005233 S\n0.040885 0.831266 0.620875 S\n0.283082 0.937470 0.054451 N\n0.716918 0.437470 0.445549 N\n0.780621 0.355941 0.965177 N\n0.219380 0.855941 0.534822 N\n0.219380 0.644059 0.034822 N\n0.780620 0.144059 0.465177 N\n0.602200 0.414346 0.217888 N\n0.602200 0.085654 0.717888 N\n0.397801 0.585654 0.782112 N\n0.191999 0.277377 0.206971 N\n0.808001 0.777377 0.293028 N\n0.808001 0.722623 0.793029 N\n0.192000 0.222623 0.706971 N\n0.283082 0.562530 0.554451 N\n0.397800 0.914346 0.282112 N\n0.716919 0.062530 0.945549 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 2.031925792771084,
"density_atomic": 0.05960595201154826,
"volume": 536.8591377216861,
"volume_molar": 10.103254048913186,
"formula_full": "C4 S12 N16",
"formula_reduced": "CS3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.772306625,
"spacegroup": 14
},
{
"id": "jvasp-105153",
"created_at": "2022-09-04T14:38:48.124352Z",
"updated_at": "2022-09-04T14:38:48.124381Z",
"structure_string": "Cs1 Ca3\n1.0\n5.648419 -0.000000 3.261116\n1.882806 5.325380 3.261116\n-0.000000 -0.000000 6.522232\nCs Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ca"
],
"chemical_system": "Ca-Cs",
"density": 2.142570800182131,
"density_atomic": 0.020388545293238157,
"volume": 196.18859229386004,
"volume_molar": 29.53688295749691,
"formula_full": "Cs1 Ca3",
"formula_reduced": "CsCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22681",
"created_at": "2022-09-04T14:36:16.425951Z",
"updated_at": "2022-09-04T14:36:16.425981Z",
"structure_string": "Cs1 Ca1 H3\n1.0\n4.590244 -0.000011 -0.000007\n-0.000011 4.590240 -0.000006\n-0.000007 -0.000006 4.590240\nCs Ca H\n1 1 3\ndirect\n0.499998 0.500003 0.499997 Cs\n0.999996 -0.000001 0.999998 Ca\n0.000001 0.999998 0.500000 H\n0.000001 0.500000 0.000001 H\n0.500000 0.999999 -0.000000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Ca",
"H"
],
"chemical_system": "Ca-Cs-H",
"density": 3.0218517269409326,
"density_atomic": 0.05169677441542182,
"volume": 96.71783310543326,
"volume_molar": 11.648968099262142,
"formula_full": "Cs1 Ca1 H3",
"formula_reduced": "CsCaH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1916414039999998,
"spacegroup": 221
},
{
"id": "jvasp-8117",
"created_at": "2022-09-04T14:36:43.469621Z",
"updated_at": "2022-09-04T14:36:43.469642Z",
"structure_string": "Cs1 Ce1 S2\n1.0\n4.094410 0.021341 7.317074\n1.924478 3.614006 7.317074\n0.035334 0.021341 8.384659\nCs Ce S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ce\n0.771058 0.771059 0.771058 S\n0.228941 0.228942 0.228941 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Ce",
"S"
],
"chemical_system": "Ce-Cs-S",
"density": 4.571811999754968,
"density_atomic": 0.03266436522238332,
"volume": 122.4576070212132,
"volume_molar": 18.436423665362756,
"formula_full": "Cs1 Ce1 S2",
"formula_reduced": "CsCeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7217930250000001,
"spacegroup": 166
},
{
"id": "jvasp-117884",
"created_at": "2022-09-04T14:38:50.213813Z",
"updated_at": "2022-09-04T14:38:50.213845Z",
"structure_string": "C1 S1 Cl1\n1.0\n3.845350 -0.000000 0.000000\n0.000000 3.845350 0.000000\n0.000000 0.000000 6.390978\nC S Cl\n1 1 1\ndirect\n0.000000 0.000000 0.275179 C\n0.000000 0.000000 0.031142 S\n0.000000 0.000000 0.617263 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"S",
"Cl"
],
"chemical_system": "C-Cl-S",
"density": 1.39744237493415,
"density_atomic": 0.03174550076419103,
"volume": 94.50158062663179,
"volume_molar": 18.970060685868855,
"formula_full": "C1 S1 Cl1",
"formula_reduced": "CSCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.753414689166666,
"spacegroup": 99
},
{
"id": "jvasp-98527",
"created_at": "2022-09-04T14:36:22.118111Z",
"updated_at": "2022-09-04T14:36:22.118136Z",
"structure_string": "C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"C",
"S",
"Cl"
],
"chemical_system": "C-Cl-S",
"density": 2.22053361309945,
"density_atomic": 0.04651998008384803,
"volume": 343.93823839050356,
"volume_molar": 12.945278027087802,
"formula_full": "C4 S4 Cl8",
"formula_reduced": "CSCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.04968453375,
"spacegroup": 14
},
{
"id": "jvasp-22569",
"created_at": "2022-09-04T14:36:43.802047Z",
"updated_at": "2022-09-04T14:36:43.802075Z",
"structure_string": "Cs1 Cu3 O2\n1.0\n5.188472 0.000204 0.000109\n-2.594058 4.492728 -0.000722\n0.000129 -0.000819 5.455872\nCs Cu O\n1 3 2\ndirect\n0.000000 -0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.666670 0.333280 0.798507 O\n0.333329 0.666719 0.201493 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cs",
"Cu",
"O"
],
"chemical_system": "Cs-Cu-O",
"density": 4.642123502988737,
"density_atomic": 0.04717670716305087,
"volume": 127.18140711395903,
"volume_molar": 12.765072261585443,
"formula_full": "Cs1 Cu3 O2",
"formula_reduced": "CsCu3O2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2955791583333336,
"spacegroup": 164
},
{
"id": "jvasp-123649",
"created_at": "2022-09-04T14:38:55.126421Z",
"updated_at": "2022-09-04T14:38:55.126455Z",
"structure_string": "C1 Se2\n1.0\n1.982340 -3.623590 0.296738\n2.146953 3.718629 0.000000\n0.336176 -0.194091 5.826912\nC Se\n1 2\ndirect\n0.000000 0.000038 0.166667 C\n0.699983 0.849973 0.424875 Se\n0.300017 0.149990 0.908458 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"Se"
],
"chemical_system": "C-Se",
"density": 3.2142047512237717,
"density_atomic": 0.03417227160840182,
"volume": 87.79047627791886,
"volume_molar": 17.622886851102276,
"formula_full": "C1 Se2",
"formula_reduced": "CSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8473855777777777,
"spacegroup": 12
},
{
"id": "jvasp-22732",
"created_at": "2022-09-04T14:36:12.049666Z",
"updated_at": "2022-09-04T14:36:12.049691Z",
"structure_string": "Cs1 K2 Bi1\n1.0\n-0.000000 4.369830 4.369830\n4.369830 0.000000 4.369830\n4.369830 4.369830 -0.000000\nCs K Bi\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.250001 0.250001 0.250001 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Bi"
],
"chemical_system": "Bi-Cs-K",
"density": 4.179843450571394,
"density_atomic": 0.023968252431354472,
"volume": 166.88742791974823,
"volume_molar": 25.12548955017695,
"formula_full": "Cs1 K2 Bi1",
"formula_reduced": "CsK2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}