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=-volume_molar&page=387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=385",
"results": [
{
"id": "jvasp-69360",
"created_at": "2022-09-04T14:36:14.692899Z",
"updated_at": "2022-09-04T14:36:14.692924Z",
"structure_string": "Ba1 Tl1 Sb2\n1.0\n4.268353 0.000000 -0.000000\n0.000000 4.268353 0.000000\n-0.000000 0.000000 7.250861\nBa Tl Sb\n1 1 2\ndirect\n0.500000 0.500000 0.756024 Ba\n0.000000 0.000000 0.462794 Tl\n0.000000 0.000000 0.045954 Sb\n0.500000 0.500000 0.235228 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Sb"
],
"chemical_system": "Ba-Sb-Tl",
"density": 7.356405542086136,
"density_atomic": 0.030279573478951043,
"volume": 132.10225708035864,
"volume_molar": 19.888459671290658,
"formula_full": "Ba1 Tl1 Sb2",
"formula_reduced": "BaTlSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5217251125,
"spacegroup": 99
},
{
"id": "jvasp-110327",
"created_at": "2022-09-04T14:38:38.238137Z",
"updated_at": "2022-09-04T14:38:38.238159Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n4.950704 0.000000 2.858291\n1.650234 4.667568 2.858291\n-0.000000 -0.000000 5.716581\nAc Cd Hg\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Hg"
],
"chemical_system": "Ac-Cd-Hg",
"density": 9.64164310294381,
"density_atomic": 0.030280707296953323,
"volume": 132.09731069929327,
"volume_molar": 19.887714976214955,
"formula_full": "Ac2 Cd1 Hg1",
"formula_reduced": "Ac2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Se"
],
"chemical_system": "Pr-Rb-Se",
"density": 4.8314019198379725,
"density_atomic": 0.030284389200500028,
"volume": 132.08125062446217,
"volume_molar": 19.88529707543373,
"formula_full": "Rb1 Pr1 Se2",
"formula_reduced": "RbPrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4266941458333334,
"spacegroup": 166
},
{
"id": "jvasp-79789",
"created_at": "2022-09-04T14:37:15.514694Z",
"updated_at": "2022-09-04T14:37:15.514724Z",
"structure_string": "La2 I2\n1.0\n3.959060 -0.000000 -0.000000\n-1.979530 3.428646 -0.000000\n0.000000 0.000000 9.729689\nLa I\n2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 I\n0.333333 0.666668 0.250000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"I"
],
"chemical_system": "I-La",
"density": 6.684002763298062,
"density_atomic": 0.03028630569249602,
"volume": 132.07289263381742,
"volume_molar": 19.88403875053039,
"formula_full": "La2 I2",
"formula_reduced": "LaI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-2670",
"created_at": "2022-09-04T14:36:35.653231Z",
"updated_at": "2022-09-04T14:36:35.653255Z",
"structure_string": "Al2 Cd1 Te4\n1.0\n5.694669 0.000001 -2.515219\n-1.110922 5.585258 -2.515218\n-0.130260 -0.158721 7.409296\nAl Cd Te\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Cd\n0.414415 0.391058 0.277022 Te\n0.114036 0.585585 0.722978 Te\n0.608942 0.137393 0.722978 Te\n0.862608 0.885964 0.277022 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Te"
],
"chemical_system": "Al-Cd-Te",
"density": 4.862563010048227,
"density_atomic": 0.030287991115891862,
"volume": 231.1147006487055,
"volume_molar": 19.882932271596687,
"formula_full": "Al2 Cd1 Te4",
"formula_reduced": "Al2CdTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.764346630952381,
"spacegroup": 82
},
{
"id": "jvasp-36948",
"created_at": "2022-09-04T14:38:19.785029Z",
"updated_at": "2022-09-04T14:38:19.785051Z",
"structure_string": "Rb4 Ca4 Br12\n1.0\n4.355302 -0.000000 0.000000\n0.000000 9.504092 0.000000\n0.000000 0.000000 15.952080\nRb Ca Br\n4 4 12\ndirect\n0.750000 0.077579 0.323767 Rb\n0.250000 0.922420 0.676233 Rb\n0.750000 0.577579 0.176233 Rb\n0.250000 0.422420 0.823767 Rb\n0.250000 0.169089 0.057635 Ca\n0.750000 0.830910 0.942365 Ca\n0.250000 0.669090 0.442365 Ca\n0.750000 0.330910 0.557635 Ca\n0.750000 0.701458 0.784843 Br\n0.250000 0.298541 0.215157 Br\n0.750000 0.476567 0.395177 Br\n0.250000 0.523433 0.604823 Br\n0.750000 0.976567 0.104823 Br\n0.250000 0.663672 0.008420 Br\n0.250000 0.163671 0.491580 Br\n0.750000 0.836328 0.508420 Br\n0.250000 0.798541 0.284843 Br\n0.750000 0.336329 0.991580 Br\n0.250000 0.023433 0.895177 Br\n0.750000 0.201458 0.715157 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Br"
],
"chemical_system": "Br-Ca-Rb",
"density": 3.674196358846967,
"density_atomic": 0.0302889187588908,
"volume": 660.3074926248181,
"volume_molar": 19.88232332734658,
"formula_full": "Rb4 Ca4 Br12",
"formula_reduced": "RbCaBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117615",
"created_at": "2022-09-04T14:38:51.466825Z",
"updated_at": "2022-09-04T14:38:51.466837Z",
"structure_string": "Ba1 Zn1 O1\n1.0\n4.957773 0.000000 0.000000\n-2.478886 4.293557 -0.000000\n0.000000 0.000000 4.652542\nBa Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 3.667532735844598,
"density_atomic": 0.030291939555458315,
"volume": 99.03624673843075,
"volume_molar": 19.880340606697363,
"formula_full": "Ba1 Zn1 O1",
"formula_reduced": "BaZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0144533333333333,
"spacegroup": 187
},
{
"id": "jvasp-56271",
"created_at": "2022-09-04T14:37:48.881760Z",
"updated_at": "2022-09-04T14:37:48.881786Z",
"structure_string": "Tl1 Cl1\n1.0\n3.928885 -0.000000 2.268343\n1.309629 3.704189 2.268343\n0.000000 -0.000000 4.536686\nTl Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.499999 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 6.0320208923134135,
"density_atomic": 0.030292060787566816,
"volume": 66.02390025642914,
"volume_molar": 19.88026104342082,
"formula_full": "Tl1 Cl1",
"formula_reduced": "TlCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0022399999999999,
"spacegroup": 225
},
{
"id": "jvasp-109795",
"created_at": "2022-09-04T14:38:16.058346Z",
"updated_at": "2022-09-04T14:38:16.058372Z",
"structure_string": "Al1 In1 Sb2\n1.0\n4.352081 0.007810 6.551900\n1.983555 3.873780 6.551900\n0.012748 0.007810 7.865612\nAl In Sb\n1 1 2\ndirect\n0.999611 0.999609 0.999608 Al\n0.500729 0.500728 0.500727 In\n0.120415 0.120414 0.120414 Sb\n0.629249 0.629248 0.629247 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"In",
"Sb"
],
"chemical_system": "Al-In-Sb",
"density": 4.845774190407475,
"density_atomic": 0.03029374983881859,
"volume": 132.0404380864853,
"volume_molar": 19.87915260422199,
"formula_full": "Al1 In1 Sb2",
"formula_reduced": "AlInSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0634637425000002,
"spacegroup": 160
},
{
"id": "jvasp-74564",
"created_at": "2022-09-04T14:35:50.953061Z",
"updated_at": "2022-09-04T14:35:50.953088Z",
"structure_string": "K2 Be1 Te1\n1.0\n-2.498824 2.498824 5.286532\n2.498824 -2.498824 5.286532\n2.498824 2.498824 -5.286532\nK Be Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Te"
],
"chemical_system": "Be-K-Te",
"density": 2.7014624568658627,
"density_atomic": 0.030294082071046297,
"volume": 132.0389900119475,
"volume_molar": 19.87893459150455,
"formula_full": "K2 Be1 Te1",
"formula_reduced": "K2BeTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2157849666666666,
"spacegroup": 119
},
{
"id": "jvasp-10546",
"created_at": "2022-09-04T14:37:09.549093Z",
"updated_at": "2022-09-04T14:37:09.549108Z",
"structure_string": "K4 Sn2 Se6\n1.0\n6.826645 -0.038524 -0.048026\n2.870415 6.982811 0.066107\n2.176570 1.349310 8.291698\nK Sn Se\n4 2 6\ndirect\n0.383547 0.789988 0.898325 K\n0.616453 0.210012 0.101675 K\n0.133286 0.476068 0.686360 K\n0.866714 0.523932 0.313640 K\n0.843157 0.065291 0.690174 Sn\n0.156843 0.934709 0.309826 Sn\n0.643495 0.414560 0.710181 Se\n0.767433 0.946395 0.453726 Se\n0.858842 0.803134 0.934498 Se\n0.356504 0.585441 0.289819 Se\n0.141158 0.196867 0.065502 Se\n0.232567 0.053605 0.546274 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Sn",
"Se"
],
"chemical_system": "K-Se-Sn",
"density": 3.6370159885025037,
"density_atomic": 0.030295019122354216,
"volume": 396.10471779320943,
"volume_molar": 19.87831971875653,
"formula_full": "K4 Sn2 Se6",
"formula_reduced": "K2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3500779666666666,
"spacegroup": 2
},
{
"id": "jvasp-5197",
"created_at": "2022-09-04T14:36:51.096855Z",
"updated_at": "2022-09-04T14:36:51.096889Z",
"structure_string": "Sb4 S4 I4\n1.0\n3.799951 0.000000 0.000000\n0.000000 6.056321 0.000000\n0.000000 0.000000 17.211588\nSb S I\n4 4 4\ndirect\n0.750254 0.500326 0.358213 Sb\n0.249746 0.000326 0.141787 Sb\n0.250254 -0.000326 0.641787 Sb\n0.749746 0.499674 0.858213 Sb\n0.749761 0.000313 0.046676 S\n0.249761 0.499687 0.953324 S\n0.750239 0.999687 0.546676 S\n0.250239 0.500313 0.453324 S\n0.250013 0.500331 0.174926 I\n0.750013 0.999669 0.825074 I\n0.749987 0.000331 0.325074 I\n0.249987 0.499669 0.674926 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 4.707488531124186,
"density_atomic": 0.030295171971413282,
"volume": 396.1027193152518,
"volume_molar": 19.87821942612681,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593007916666667,
"spacegroup": 59
}
]
}