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_full&page=4120",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4118",
"results": [
{
"id": "jvasp-86229",
"created_at": "2022-09-04T14:36:17.648647Z",
"updated_at": "2022-09-04T14:36:17.648671Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.458711 0.021447 -3.005196\n-3.883328 5.970670 -0.132130\n0.014311 -0.006659 8.347047\nTl P Au Se\n2 2 2 6\ndirect\n0.943249 0.285504 0.228752 Tl\n0.056750 0.714497 0.771248 Tl\n0.621613 0.030925 0.652539 P\n0.378386 0.969075 0.347461 P\n0.760394 0.760394 -0.000000 Au\n0.239606 0.239606 -0.000000 Au\n0.422924 0.764141 0.187065 Se\n0.518538 0.322455 0.327267 Se\n0.577075 0.235860 0.812935 Se\n0.481461 0.677545 0.672733 Se\n0.004812 0.808730 0.327267 Se\n0.995188 0.191271 0.672733 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Tl",
"P",
"Au",
"Se"
],
"chemical_system": "Au-P-Se-Tl",
"density": 6.88597327248989,
"density_atomic": 0.03717998385833251,
"volume": 322.75430903154216,
"volume_molar": 16.197265665704048,
"formula_full": "Tl2 P2 Au2 Se6",
"formula_reduced": "TlPAuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2505059616666665,
"spacegroup": 12
},
{
"id": "jvasp-10227",
"created_at": "2022-09-04T14:38:08.398985Z",
"updated_at": "2022-09-04T14:38:08.399014Z",
"structure_string": "Tl2 P2 S6\n1.0\n6.000386 0.000000 3.443127\n2.601487 5.970392 2.416395\n0.002141 0.031957 6.946313\nTl P S\n2 2 6\ndirect\n-0.000000 0.263459 0.736541 Tl\n0.000000 0.736541 0.263458 Tl\n0.663887 0.336114 0.336113 P\n0.336114 0.663886 0.663885 P\n0.534161 0.221142 0.221142 S\n0.976446 0.778858 0.778857 S\n0.500000 0.301331 0.698668 S\n0.500001 0.698669 0.301330 S\n0.465840 0.778858 0.778857 S\n0.023555 0.221142 0.221142 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Tl",
"density": 4.4287433545893675,
"density_atomic": 0.04022070579140075,
"volume": 248.62815813983093,
"volume_molar": 14.972737652176017,
"formula_full": "Tl2 P2 S6",
"formula_reduced": "TlPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.63442162,
"spacegroup": 71
},
{
"id": "jvasp-12778",
"created_at": "2022-09-04T14:38:11.302675Z",
"updated_at": "2022-09-04T14:38:11.302712Z",
"structure_string": "Tl2 Pb2 I6\n1.0\n4.638790 0.000000 0.000000\n-2.319395 7.505669 0.000000\n0.000000 -0.000000 11.895470\nTl Pb I\n2 2 6\ndirect\n0.247727 0.495456 0.750000 Tl\n0.752271 0.504544 0.250000 Tl\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.079917 0.159833 0.250000 I\n0.920082 0.840167 0.750000 I\n0.644368 0.288737 0.557896 I\n0.355631 0.711263 0.442104 I\n0.644368 0.288737 0.942104 I\n0.355631 0.711263 0.057896 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Pb",
"I"
],
"chemical_system": "I-Pb-Tl",
"density": 6.353180865561171,
"density_atomic": 0.024144836761577464,
"volume": 414.16722335904774,
"volume_molar": 24.94173317246545,
"formula_full": "Tl2 Pb2 I6",
"formula_reduced": "TlPbI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-4110",
"created_at": "2022-09-04T14:36:46.163029Z",
"updated_at": "2022-09-04T14:36:46.163055Z",
"structure_string": "Tl2 Pd1 Cl4\n1.0\n7.096092 0.000000 0.000000\n0.000000 7.096092 0.000000\n0.000000 0.000000 4.223999\nTl Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.767670 0.767670 0.000000 Cl\n0.767670 0.232330 0.000000 Cl\n0.232330 0.767670 0.000000 Cl\n0.232330 0.232330 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Tl",
"density": 5.129219208581707,
"density_atomic": 0.03291059684382062,
"volume": 212.69744918996625,
"volume_molar": 18.298485404498923,
"formula_full": "Tl2 Pd1 Cl4",
"formula_reduced": "Tl2PdCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0078067385714285,
"spacegroup": 123
},
{
"id": "jvasp-107511",
"created_at": "2022-09-04T14:36:54.915880Z",
"updated_at": "2022-09-04T14:36:54.915889Z",
"structure_string": "Tl2 Pd2 Pb2\n1.0\n5.596201 -0.060652 4.062040\n3.300404 4.486831 1.596912\n0.026260 -0.052014 5.658952\nTl Pd Pb\n2 2 2\ndirect\n0.333771 0.666228 0.333772 Tl\n0.666227 0.333773 0.666228 Tl\n0.749999 0.750001 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.162109 0.162110 0.837891 Pb\n0.837890 0.837891 0.162109 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Tl",
"density": 12.07155948300686,
"density_atomic": 0.04210202739509722,
"volume": 142.5109518763626,
"volume_molar": 14.303683534017365,
"formula_full": "Tl2 Pd2 Pb2",
"formula_reduced": "TlPdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3212397066666665,
"spacegroup": 69
},
{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"S"
],
"chemical_system": "Pd-S-Tl",
"density": 9.082899054615538,
"density_atomic": 0.048335073701674426,
"volume": 144.82237149785303,
"volume_molar": 12.459152947958328,
"formula_full": "Tl2 Pd3 S2",
"formula_reduced": "Tl2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1701074714285715,
"spacegroup": 166
},
{
"id": "jvasp-4519",
"created_at": "2022-09-04T14:36:36.319053Z",
"updated_at": "2022-09-04T14:36:36.319075Z",
"structure_string": "Tl2 Pd4 Se6\n1.0\n3.743343 -6.483659 0.000000\n3.743343 6.483659 0.000000\n0.000000 0.000000 5.783702\nTl Pd Se\n2 4 6\ndirect\n0.666667 0.333333 0.355039 Tl\n0.333333 0.666667 0.644960 Tl\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.830928 0.169071 0.776723 Se\n0.338143 0.169071 0.776723 Se\n0.830928 0.661856 0.776723 Se\n0.169071 0.338143 0.223276 Se\n0.169071 0.830928 0.223276 Se\n0.661856 0.830928 0.223276 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Tl",
"density": 7.737661750848597,
"density_atomic": 0.04274305440713844,
"volume": 280.74736741312296,
"volume_molar": 14.089168038010529,
"formula_full": "Tl2 Pd4 Se6",
"formula_reduced": "TlPd2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.20454735,
"spacegroup": 164
},
{
"id": "jvasp-90556",
"created_at": "2022-09-04T14:36:13.646114Z",
"updated_at": "2022-09-04T14:36:13.646140Z",
"structure_string": "Tl2 Pd6\n1.0\n4.174769 -0.000000 0.000000\n-0.000000 4.174769 0.000000\n-2.087385 -2.087385 7.781401\nTl Pd\n2 6\ndirect\n0.874593 0.874593 0.749185 Tl\n0.125408 0.125408 0.250815 Tl\n0.500000 -0.000000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.250001 0.750001 0.500000 Pd\n0.750001 0.250001 0.500000 Pd\n0.625499 0.625499 0.250998 Pd\n0.374502 0.374502 0.749002 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl",
"density": 12.823068077765749,
"density_atomic": 0.0589884915674883,
"volume": 135.61967406552952,
"volume_molar": 10.209009588099253,
"formula_full": "Tl2 Pd6",
"formula_reduced": "TlPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0369174250000004,
"spacegroup": 139
},
{
"id": "jvasp-9719",
"created_at": "2022-09-04T14:37:16.406312Z",
"updated_at": "2022-09-04T14:37:16.406346Z",
"structure_string": "Tl2 Pd6 O8\n1.0\n5.935938 -0.000000 3.427115\n1.978646 5.596456 3.427115\n0.000000 -0.000000 6.854231\nTl Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.857624 0.857624 0.857624 O\n0.142377 0.142377 0.572870 O\n0.142377 0.572871 0.142377 O\n0.572871 0.142377 0.142377 O\n0.857624 0.427130 0.857624 O\n0.427130 0.857624 0.857624 O\n0.142377 0.142377 0.142377 O\n0.857624 0.857624 0.427130 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"O"
],
"chemical_system": "O-Pd-Tl",
"density": 8.570968948215691,
"density_atomic": 0.0702681947067759,
"volume": 227.69903320793776,
"volume_molar": 8.570222680588223,
"formula_full": "Tl2 Pd6 O8",
"formula_reduced": "TlPd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9456342125,
"spacegroup": 225
},
{
"id": "jvasp-112341",
"created_at": "2022-09-04T14:38:26.395893Z",
"updated_at": "2022-09-04T14:38:26.395909Z",
"structure_string": "Tl2 Pd9 Pb1\n1.0\n4.083919 -0.008759 -11.541788\n-0.128656 4.081902 -11.541788\n0.008505 0.008759 12.243006\nTl Pd Pb\n2 9 1\ndirect\n0.166174 0.166174 -0.000000 Tl\n0.000995 0.000995 -0.000000 Tl\n0.916121 0.416120 0.500000 Pd\n0.416120 0.916120 0.499999 Pd\n0.084347 0.584347 0.500000 Pd\n0.584348 0.084347 0.500001 Pd\n0.500168 0.500168 -0.000001 Pd\n0.749472 0.249472 0.500000 Pd\n0.249472 0.749472 0.500000 Pd\n0.331064 0.331064 -0.000001 Pd\n0.667753 0.667753 -0.000001 Pd\n0.833966 0.833966 -0.000002 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Tl",
"density": 12.75346689079654,
"density_atomic": 0.0585633083401746,
"volume": 204.9064566212009,
"volume_molar": 10.283129370047549,
"formula_full": "Tl2 Pd9 Pb1",
"formula_reduced": "Tl2Pd9Pb",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.399972276666667,
"spacegroup": 107
},
{
"id": "jvasp-3885",
"created_at": "2022-09-04T14:36:05.213209Z",
"updated_at": "2022-09-04T14:36:05.213250Z",
"structure_string": "Tl2 Pt1 Cl6\n1.0\n5.994508 0.000000 3.460930\n1.998169 5.651676 3.460930\n0.000000 0.000000 6.921862\nTl Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750001 0.749999 Tl\n0.000000 0.000000 0.000000 Pt\n0.760204 0.239797 0.239796 Cl\n0.760204 0.760204 0.239796 Cl\n0.239797 0.239797 0.760203 Cl\n0.760204 0.239797 0.760203 Cl\n0.239796 0.760204 0.239796 Cl\n0.239796 0.760204 0.760203 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Tl",
"density": 5.782132451882513,
"density_atomic": 0.0383785685332627,
"volume": 234.50588033786883,
"volume_molar": 15.691415782692918,
"formula_full": "Tl2 Pt1 Cl6",
"formula_reduced": "Tl2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1621623338888888,
"spacegroup": 225
},
{
"id": "jvasp-4630",
"created_at": "2022-09-04T14:36:53.303017Z",
"updated_at": "2022-09-04T14:36:53.303026Z",
"structure_string": "Tl2 Pt4 S6\n1.0\n3.596844 -6.229916 0.000000\n3.596844 6.229916 0.000000\n-0.000000 0.000000 5.932069\nTl Pt S\n2 4 6\ndirect\n0.666667 0.333332 0.623707 Tl\n0.333332 0.666667 0.376294 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 -0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n0.830417 0.660836 0.199038 S\n0.339163 0.169582 0.199038 S\n0.830418 0.169581 0.199038 S\n0.169581 0.830418 0.800962 S\n0.169582 0.339163 0.800962 S\n0.660836 0.830417 0.800962 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"S"
],
"chemical_system": "Pt-S-Tl",
"density": 8.628944536746106,
"density_atomic": 0.04513789096964481,
"volume": 265.85203123623984,
"volume_molar": 13.34165294530461,
"formula_full": "Tl2 Pt4 S6",
"formula_reduced": "TlPt2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.8224909,
"spacegroup": 164
}
]
}