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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=274",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=272",
"results": [
{
"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-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-85374",
"created_at": "2022-09-04T14:36:21.841817Z",
"updated_at": "2022-09-04T14:36:21.841836Z",
"structure_string": "Te4 Pd6 Pb4\n1.0\n6.038574 -0.000000 0.000000\n-0.000000 6.530267 0.000000\n0.000000 0.000000 8.705158\nTe Pd Pb\n4 6 4\ndirect\n0.250000 0.672431 0.540631 Te\n0.750000 0.327570 0.040631 Te\n0.250000 0.672431 0.959369 Te\n0.750000 0.327570 0.459369 Te\n0.000000 0.000000 0.500000 Pd\n0.750000 0.203547 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.250000 0.796453 0.250000 Pd\n0.250000 0.250651 0.250000 Pb\n0.750000 0.749350 0.750000 Pb\n0.250000 0.201130 0.750000 Pb\n0.750000 0.798870 0.250000 Pb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Te",
"density": 9.566914962609005,
"density_atomic": 0.04078364580889514,
"volume": 343.2748525132229,
"volume_molar": 14.76606772287763,
"formula_full": "Te4 Pd6 Pb4",
"formula_reduced": "Te2Pd3Pb2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.142219181904762,
"spacegroup": 59
},
{
"id": "jvasp-102558",
"created_at": "2022-09-04T14:36:46.027968Z",
"updated_at": "2022-09-04T14:36:46.027989Z",
"structure_string": "Sm1 Pd2 Pb1\n1.0\n4.264406 -0.000000 2.462056\n1.421469 4.020521 2.462056\n-0.000000 -0.000000 4.924112\nSm Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750000 0.750000 Pd\n0.500001 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Sm",
"density": 11.219146296628304,
"density_atomic": 0.0473795780004746,
"volume": 84.42455945808408,
"volume_molar": 12.71041451643929,
"formula_full": "Sm1 Pd2 Pb1",
"formula_reduced": "SmPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1024877737499998,
"spacegroup": 225
},
{
"id": "jvasp-102148",
"created_at": "2022-09-04T14:36:33.070941Z",
"updated_at": "2022-09-04T14:36:33.070952Z",
"structure_string": "Sc1 Pd2 Pb1\n1.0\n4.092079 0.000000 2.362563\n1.364026 3.858050 2.362563\n0.000000 0.000000 4.725127\nSc Pd Pb\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Sc\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750000 0.749999 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Sc",
"density": 10.350775407239233,
"density_atomic": 0.05362096731644576,
"volume": 74.59768445417777,
"volume_molar": 11.230943903828056,
"formula_full": "Sc1 Pd2 Pb1",
"formula_reduced": "ScPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3793368675000002,
"spacegroup": 225
},
{
"id": "jvasp-8501",
"created_at": "2022-09-04T14:37:07.109074Z",
"updated_at": "2022-09-04T14:37:07.109106Z",
"structure_string": "Pd3 Pb2 S2\n1.0\n5.167730 -0.028147 2.678108\n1.616176 4.908584 2.678108\n-0.039125 -0.028147 5.820323\nPd Pb S\n3 2 2\ndirect\n0.000001 -0.000000 0.500000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000001 0.500000 0.000000 Pd\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.719643 0.719640 0.719642 S\n0.280359 0.280358 0.280358 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"S"
],
"chemical_system": "Pb-Pd-S",
"density": 8.909585833317383,
"density_atomic": 0.047077985452383196,
"volume": 148.68945501247322,
"volume_molar": 12.79184039446859,
"formula_full": "Pd3 Pb2 S2",
"formula_reduced": "Pd3(PbS)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.4499798200000005,
"spacegroup": 166
},
{
"id": "jvasp-106759",
"created_at": "2022-09-04T14:36:59.993222Z",
"updated_at": "2022-09-04T14:36:59.993247Z",
"structure_string": "Pd1 Rh1 Pb4\n1.0\n5.497155 0.010051 -1.534139\n-3.165717 4.494113 -1.534139\n-0.005203 -0.010051 5.707212\nPd Rh Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.499999 -0.000000 Rh\n0.913849 0.413848 0.827696 Pb\n0.586152 0.086151 0.172303 Pb\n0.086151 0.913848 0.499999 Pb\n0.413848 0.586151 0.500000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pd",
"Rh",
"Pb"
],
"chemical_system": "Pb-Pd-Rh",
"density": 12.225181815733666,
"density_atomic": 0.04255078932347735,
"volume": 141.00796002600842,
"volume_molar": 14.152829725951266,
"formula_full": "Pd1 Rh1 Pb4",
"formula_reduced": "PdRhPb4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0058619966666666,
"spacegroup": 97
},
{
"id": "jvasp-40861",
"created_at": "2022-09-04T14:37:36.262549Z",
"updated_at": "2022-09-04T14:37:36.262569Z",
"structure_string": "Pm1 Pd2 Pb1\n1.0\n-0.000093 3.492058 3.492464\n3.492309 -0.000097 3.492469\n3.492207 3.491961 0.000005\nPm Pd Pb\n1 2 1\ndirect\n0.749990 0.750004 0.750016 Pm\n0.000044 0.000007 0.999885 Pd\n0.499940 0.500018 0.500080 Pd\n0.250022 0.249971 0.250024 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Pm",
"density": 11.014703354815602,
"density_atomic": 0.046957450131153,
"volume": 85.18350099564452,
"volume_molar": 12.824675835634286,
"formula_full": "Pm1 Pd2 Pb1",
"formula_reduced": "PmPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1217533487500002,
"spacegroup": 225
},
{
"id": "jvasp-17852",
"created_at": "2022-09-04T14:38:12.428711Z",
"updated_at": "2022-09-04T14:38:12.428729Z",
"structure_string": "Pd3 Pb1\n1.0\n4.108499 0.000000 -0.000000\n-0.000000 4.108499 0.000000\n-0.000000 -0.000000 4.108499\nPd Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd",
"density": 12.6056405801013,
"density_atomic": 0.05767803211607489,
"volume": 69.35049364982059,
"volume_molar": 10.440960863367646,
"formula_full": "Pd3 Pb1",
"formula_reduced": "Pd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2402719800000002,
"spacegroup": 221
},
{
"id": "jvasp-17770",
"created_at": "2022-09-04T14:37:26.931322Z",
"updated_at": "2022-09-04T14:37:26.931344Z",
"structure_string": "Pd2 Pb4\n1.0\n5.562806 -0.018050 -1.526225\n-3.238926 4.522665 -1.526225\n0.009312 0.018049 5.768370\nPd Pb\n2 4\ndirect\n0.750000 0.750001 -0.000001 Pd\n0.250000 0.250000 -0.000000 Pd\n0.837475 0.662526 0.499999 Pb\n0.337474 0.837475 0.174948 Pb\n0.162525 0.337475 0.500000 Pb\n0.662526 0.162526 0.825049 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd",
"density": 11.921085652054893,
"density_atomic": 0.04135236118054235,
"volume": 145.09449590567027,
"volume_molar": 14.562991297419835,
"formula_full": "Pd2 Pb4",
"formula_reduced": "PdPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5760591133333333,
"spacegroup": 140
},
{
"id": "jvasp-17815",
"created_at": "2022-09-04T14:37:30.537920Z",
"updated_at": "2022-09-04T14:37:30.537956Z",
"structure_string": "Pb2\n1.0\n1.760039 -3.048477 0.000000\n1.760039 3.048477 -0.000000\n-0.000000 0.000000 5.847851\nPb\n2\ndirect\n0.333333 0.666668 0.250000 Pb\n0.666668 0.333333 0.750000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Pb",
"density": 10.965724637393464,
"density_atomic": 0.03187120527249249,
"volume": 62.75256874976633,
"volume_molar": 18.895240103133503,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.0158508199999999,
"spacegroup": 194
},
{
"id": "jvasp-111128",
"created_at": "2022-09-04T14:38:38.311061Z",
"updated_at": "2022-09-04T14:38:38.311075Z",
"structure_string": "Pb2\n1.0\n4.296843 -0.000000 2.480783\n1.432281 4.051102 2.480783\n0.000000 0.000000 4.961567\nPb\n2\ndirect\n0.874999 0.875000 0.875000 Pb\n0.125000 0.125000 0.125000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 7.967596280361377,
"density_atomic": 0.0231573293126304,
"volume": 86.36574507359819,
"volume_molar": 26.00533368377424,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.28095082,
"spacegroup": 227
}
]
}