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=spacegroup&page=917",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=915",
"results": [
{
"id": "jvasp-85028",
"created_at": "2022-09-04T14:37:01.360364Z",
"updated_at": "2022-09-04T14:37:01.360391Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-14.379136 1.121874 1.348663\n-11.579171 0.957434 4.481646\n-9.362480 3.671412 2.642225\nK Ba Hg\n1 1 2\ndirect\n0.000001 -0.000001 0.999999 K\n0.500001 1.000001 0.999997 Ba\n0.753419 0.007865 0.977605 Hg\n0.246583 0.992136 0.022392 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 6.743856951482075,
"density_atomic": 0.028124711349542215,
"volume": 142.22368188198695,
"volume_molar": 21.41227579246968,
"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-105403",
"created_at": "2022-09-04T14:37:01.981316Z",
"updated_at": "2022-09-04T14:37:01.981336Z",
"structure_string": "Sr3 Pb1 S4\n1.0\n4.259850 -0.000000 0.000000\n0.000000 6.013365 0.000000\n-0.000000 -0.000000 8.523382\nSr Pb S\n3 1 4\ndirect\n0.500000 0.500000 0.248677 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.751322 Sr\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.747270 S\n-0.000000 0.500000 -0.000000 S\n0.500000 0.000000 0.252730 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 4.55049658057118,
"density_atomic": 0.036640902454296666,
"volume": 218.33523369078173,
"volume_molar": 16.435568876917277,
"formula_full": "Sr3 Pb1 S4",
"formula_reduced": "Sr3PbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6492212187500002,
"spacegroup": 47
},
{
"id": "jvasp-106720",
"created_at": "2022-09-04T14:37:02.030369Z",
"updated_at": "2022-09-04T14:37:02.030384Z",
"structure_string": "Th2 In3 Sn3\n1.0\n4.758204 -0.000000 0.000000\n0.000000 4.828293 0.000000\n0.000000 -0.000000 9.378129\nTh In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.245844 Th\n0.000000 0.000000 0.754156 Th\n0.500000 0.500000 0.254842 In\n0.500000 0.500000 0.745158 In\n-0.000000 0.500000 0.500000 In\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"In",
"Sn"
],
"chemical_system": "In-Sn-Th",
"density": 8.976260033041918,
"density_atomic": 0.03713103969664309,
"volume": 215.4531643972053,
"volume_molar": 16.218616039842388,
"formula_full": "Th2 In3 Sn3",
"formula_reduced": "Th2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.8952170262500001,
"spacegroup": 47
},
{
"id": "jvasp-99651",
"created_at": "2022-09-04T14:37:03.532344Z",
"updated_at": "2022-09-04T14:37:03.532372Z",
"structure_string": "Y2 In3 Pb3\n1.0\n4.776461 0.000000 0.000000\n0.000000 4.870395 0.000000\n-0.000000 0.000000 9.286298\nY In Pb\n2 3 3\ndirect\n0.000000 0.000000 0.253013 Y\n0.000000 0.000000 0.746987 Y\n0.500000 0.500000 0.255896 In\n0.500000 0.500000 0.744104 In\n-0.000000 0.500000 0.500000 In\n-0.000000 0.500000 -0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.000000 -0.000000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"In",
"Pb"
],
"chemical_system": "In-Pb-Y",
"density": 8.79247410073675,
"density_atomic": 0.037031981416412334,
"volume": 216.0294884047023,
"volume_molar": 16.261999843548814,
"formula_full": "Y2 In3 Pb3",
"formula_reduced": "Y2(InPb)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.6961441587500001,
"spacegroup": 47
},
{
"id": "jvasp-12616",
"created_at": "2022-09-04T14:37:07.664977Z",
"updated_at": "2022-09-04T14:37:07.664994Z",
"structure_string": "Ba2 Nd2 Co4 O11\n1.0\n3.830185 0.000000 0.000000\n0.000000 7.585376 0.000000\n0.000000 0.000000 7.984018\nBa Nd Co O\n2 2 4 11\ndirect\n0.500001 0.000000 0.752719 Ba\n0.500001 0.000000 0.247282 Ba\n0.500001 0.500000 0.268450 Nd\n0.500001 0.500000 0.731550 Nd\n0.000000 0.254162 0.000000 Co\n0.000000 0.745839 0.000000 Co\n0.000000 0.751921 0.500000 Co\n0.000000 0.248079 0.500000 Co\n0.000000 0.000000 0.000000 O\n0.500001 0.695221 0.000000 O\n0.500001 0.304780 0.000000 O\n0.500001 0.732916 0.500000 O\n0.000000 0.711579 0.235271 O\n0.000000 0.711579 0.764730 O\n0.000000 0.288421 0.235271 O\n0.000000 0.500000 0.500000 O\n0.000000 0.288421 0.764730 O\n0.500001 0.267085 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.978704974278444,
"density_atomic": 0.08190967998749013,
"volume": 231.9628156635678,
"volume_molar": 7.352172247431253,
"formula_full": "Ba2 Nd2 Co4 O11",
"formula_reduced": "Ba2Nd2Co4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.7011519494736844,
"spacegroup": 47
},
{
"id": "jvasp-85173",
"created_at": "2022-09-04T14:37:08.004779Z",
"updated_at": "2022-09-04T14:37:08.004802Z",
"structure_string": "Eu2 Zn2 Ge2\n1.0\n4.226615 0.000000 0.000000\n0.000000 7.318887 0.000000\n-0.000000 0.000000 4.084272\nEu Zn Ge\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500001 0.500000 0.000000 Eu\n0.000000 0.664235 0.500000 Zn\n0.000000 0.335765 0.500000 Zn\n0.500001 0.829903 0.500000 Ge\n0.500001 0.170098 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Ge"
],
"chemical_system": "Eu-Ge-Zn",
"density": 7.623320345803944,
"density_atomic": 0.04748963825435581,
"volume": 126.34335026651151,
"volume_molar": 12.680957323248597,
"formula_full": "Eu2 Zn2 Ge2",
"formula_reduced": "EuZnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0149566666666666,
"spacegroup": 47
},
{
"id": "jvasp-101721",
"created_at": "2022-09-04T14:37:08.258309Z",
"updated_at": "2022-09-04T14:37:08.258344Z",
"structure_string": "Fe3 Ni3 Pt2\n1.0\n3.678444 0.000000 0.000000\n0.000000 3.706050 0.000000\n0.000000 0.000000 7.333158\nFe Ni Pt\n3 3 2\ndirect\n0.499999 0.500000 0.250356 Fe\n0.499999 0.500000 0.749644 Fe\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Ni\n0.499999 0.000000 0.500000 Ni\n0.499999 0.000000 -0.000000 Ni\n0.000000 0.000000 0.248907 Pt\n0.000000 0.000000 0.751093 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"Pt"
],
"chemical_system": "Fe-Ni-Pt",
"density": 12.188503779249048,
"density_atomic": 0.08002460174917662,
"volume": 99.96925726759162,
"volume_molar": 7.525361736726121,
"formula_full": "Fe3 Ni3 Pt2",
"formula_reduced": "Fe3Ni3Pt2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.6974470625,
"spacegroup": 47
},
{
"id": "jvasp-85224",
"created_at": "2022-09-04T14:37:09.004864Z",
"updated_at": "2022-09-04T14:37:09.004889Z",
"structure_string": "Nd4 Sb4 Pd4\n1.0\n4.535546 0.000000 0.000000\n0.000000 8.041181 -0.000000\n0.000000 -0.000000 8.196041\nNd Sb Pd\n4 4 4\ndirect\n0.500000 0.750000 0.500346 Nd\n0.000000 0.750000 0.999659 Nd\n0.500000 0.250000 0.499654 Nd\n0.000000 0.250000 0.000341 Nd\n0.500000 0.499801 0.821283 Sb\n0.500000 0.999801 0.178717 Sb\n0.500000 0.500199 0.178717 Sb\n0.500000 0.000199 0.821283 Sb\n0.000000 0.500479 0.336137 Pd\n0.000000 0.499521 0.663863 Pd\n0.000000 0.999521 0.336137 Pd\n0.000000 0.000479 0.663863 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"Pd"
],
"chemical_system": "Nd-Pd-Sb",
"density": 8.275435933158633,
"density_atomic": 0.04014465315453875,
"volume": 298.919010554293,
"volume_molar": 15.001102978315652,
"formula_full": "Nd4 Sb4 Pd4",
"formula_reduced": "NdSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1685477666666668,
"spacegroup": 47
},
{
"id": "jvasp-9190",
"created_at": "2022-09-04T14:37:09.967354Z",
"updated_at": "2022-09-04T14:37:09.967388Z",
"structure_string": "Ba2 Al1 Cu3 O7\n1.0\n3.691548 0.000000 0.000000\n0.000000 3.847180 0.000000\n0.000000 0.000000 11.683637\nBa Al Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.814713 Ba\n0.500000 0.500000 0.185280 Ba\n0.500000 0.500000 0.499994 Al\n0.000000 0.000000 0.636252 Cu\n0.000000 0.000000 0.363756 Cu\n0.000000 0.000000 -0.000000 Cu\n0.000000 0.500000 -0.000004 O\n0.500000 0.000000 0.604401 O\n0.500000 0.000000 0.395723 O\n0.000000 0.500000 0.605099 O\n0.000000 0.500000 0.394793 O\n0.000000 0.000000 0.837647 O\n0.000000 0.000000 0.162350 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-O",
"density": 6.047147670007674,
"density_atomic": 0.07834553864825242,
"volume": 165.93159258711637,
"volume_molar": 7.686641593004517,
"formula_full": "Ba2 Al1 Cu3 O7",
"formula_reduced": "Ba2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.4570108146153844,
"spacegroup": 47
},
{
"id": "jvasp-78850",
"created_at": "2022-09-04T14:37:10.808014Z",
"updated_at": "2022-09-04T14:37:10.808028Z",
"structure_string": "Ce1 Se2\n1.0\n0.000000 5.354115 0.000000\n4.053097 0.000000 -0.407707\n4.744044 0.000000 -28.947420\nCe Se\n1 2\ndirect\n0.500000 -0.000000 0.500000 Ce\n0.500000 0.378515 0.564967 Se\n0.500000 0.621485 0.435033 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 0.8010367959549884,
"density_atomic": 0.00485574528665738,
"volume": 617.8248287123713,
"volume_molar": 124.0209361176263,
"formula_full": "Ce1 Se2",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2167574111111112,
"spacegroup": 47
},
{
"id": "jvasp-9192",
"created_at": "2022-09-04T14:37:10.949110Z",
"updated_at": "2022-09-04T14:37:10.949145Z",
"structure_string": "Ba2 Al1 Sn3 O7\n1.0\n4.140140 0.000000 0.000000\n-0.000000 4.373308 0.000000\n0.000000 0.000000 11.535248\nBa Al Sn O\n2 1 3 7\ndirect\n0.500000 0.500000 0.811109 Ba\n0.500000 0.500000 0.188891 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.622088 Sn\n0.000000 0.000000 0.377912 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.628083 O\n0.500000 0.000000 0.371917 O\n0.000000 0.500000 0.619462 O\n0.000000 0.500000 0.380538 O\n0.000000 0.000000 0.801666 O\n0.000000 0.000000 0.198335 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn",
"density": 6.120024553245941,
"density_atomic": 0.062243115784811905,
"volume": 208.85843897892016,
"volume_molar": 9.6751916803456,
"formula_full": "Ba2 Al1 Sn3 O7",
"formula_reduced": "Ba2AlSn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.690199564615385,
"spacegroup": 47
},
{
"id": "jvasp-9186",
"created_at": "2022-09-04T14:38:11.855954Z",
"updated_at": "2022-09-04T14:38:11.855979Z",
"structure_string": "Ba2 Y1 Ti3 O7\n1.0\n3.966753 0.000000 0.000000\n0.000000 4.004007 0.000000\n0.000000 0.000000 11.446827\nBa Y Ti O\n2 1 3 7\ndirect\n0.500000 0.500000 0.823468 Ba\n0.500000 0.500000 0.176532 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.638257 Ti\n0.000000 0.000000 0.361745 Ti\n0.000000 0.000000 -0.000002 Ti\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.629657 O\n0.500000 0.000000 0.370342 O\n0.000000 0.500000 0.629927 O\n0.000000 0.500000 0.370072 O\n0.000000 0.000000 0.826633 O\n0.000000 0.000000 0.173368 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti-Y",
"density": 5.655025050692696,
"density_atomic": 0.07150365570470131,
"volume": 181.80888615944232,
"volume_molar": 8.422143875930598,
"formula_full": "Ba2 Y1 Ti3 O7",
"formula_reduced": "Ba2YTi3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.672416683846154,
"spacegroup": 47
}
]
}