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=updated_at&page=1203",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1201",
"results": [
{
"id": "jvasp-71700",
"created_at": "2022-09-04T14:36:20.855135Z",
"updated_at": "2022-09-04T14:36:20.855157Z",
"structure_string": "Be1 Fe1 Cu2\n1.0\n-1.847590 1.847590 3.214284\n1.847590 -1.847590 3.214284\n1.847590 1.847590 -3.214284\nBe Fe Cu\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.499999 0.499999 0.000000 Fe\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Cu"
],
"chemical_system": "Be-Cu-Fe",
"density": 7.262395886230113,
"density_atomic": 0.09113906053913087,
"volume": 43.888975553819606,
"volume_molar": 6.607639714932517,
"formula_full": "Be1 Fe1 Cu2",
"formula_reduced": "BeFeCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1386531249999998,
"spacegroup": 119
},
{
"id": "jvasp-76219",
"created_at": "2022-09-04T14:36:20.859330Z",
"updated_at": "2022-09-04T14:36:20.859360Z",
"structure_string": "Ca10 Sb6\n1.0\n9.031500 0.000000 0.000000\n-4.515751 7.821509 -0.000000\n0.000000 -0.000000 6.917966\nCa Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.500000 Ca\n0.252222 -0.000000 0.250000 Ca\n0.252222 0.252222 0.750000 Ca\n0.000000 0.747778 0.750000 Ca\n0.000000 0.252222 0.250000 Ca\n0.747778 0.747778 0.250000 Ca\n0.747778 -0.000000 0.750000 Ca\n0.611531 -0.000000 0.250000 Sb\n0.611531 0.611531 0.750000 Sb\n0.000000 0.388469 0.750000 Sb\n0.000000 0.611531 0.250000 Sb\n0.388469 0.388469 0.250000 Sb\n0.388469 -0.000000 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.8442655613371683,
"density_atomic": 0.03274093847959868,
"volume": 488.6848313761628,
"volume_molar": 18.39330526140073,
"formula_full": "Ca10 Sb6",
"formula_reduced": "Ca5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.35273225625,
"spacegroup": 193
},
{
"id": "jvasp-71045",
"created_at": "2022-09-04T14:36:20.867744Z",
"updated_at": "2022-09-04T14:36:20.867774Z",
"structure_string": "K1 Be2 Pb1\n1.0\n4.734144 0.000000 0.000000\n0.000000 4.734144 0.000000\n0.000000 0.000000 4.063739\nK Be Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pb"
],
"chemical_system": "Be-K-Pb",
"density": 4.819197951000252,
"density_atomic": 0.04391888002650646,
"volume": 91.07700373019237,
"volume_molar": 13.711963411556589,
"formula_full": "K1 Be2 Pb1",
"formula_reduced": "KBe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0543665725,
"spacegroup": 123
},
{
"id": "jvasp-90122",
"created_at": "2022-09-04T14:36:20.868685Z",
"updated_at": "2022-09-04T14:36:20.868712Z",
"structure_string": "Pr1 Cr2 B6\n1.0\n0.000000 0.000000 -3.121250\n-3.308908 4.172610 -1.560625\n3.308908 4.172610 -1.560625\nPr Cr B\n1 2 6\ndirect\n-0.000002 0.500000 0.500000 Pr\n0.845455 0.154545 0.154545 Cr\n0.154542 0.845455 0.845455 Cr\n0.499998 0.136897 0.863103 B\n0.499998 0.863103 0.136897 B\n0.697916 0.036600 0.567565 B\n0.302081 0.432434 0.963400 B\n0.697916 0.567565 0.036600 B\n0.302081 0.963400 0.432434 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Cr",
"B"
],
"chemical_system": "B-Cr-Pr",
"density": 5.968038237718862,
"density_atomic": 0.10442187125186006,
"volume": 86.18884044217589,
"volume_molar": 5.767125878710709,
"formula_full": "Pr1 Cr2 B6",
"formula_reduced": "Pr(CrB3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.95600223888889,
"spacegroup": 71
},
{
"id": "jvasp-99149",
"created_at": "2022-09-04T14:36:20.869766Z",
"updated_at": "2022-09-04T14:36:20.869795Z",
"structure_string": "Cr4 Bi4 O12\n1.0\n5.435592 0.000000 0.000000\n-0.000000 5.612892 0.000000\n0.000000 0.000000 7.773248\nCr Bi O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.009538 0.948667 0.750000 Bi\n0.990461 0.051333 0.250000 Bi\n0.509538 0.551333 0.250000 Bi\n0.490461 0.448667 0.750000 Bi\n0.087925 0.475668 0.250000 O\n0.199845 0.203313 0.957027 O\n0.199845 0.203313 0.542973 O\n0.800155 0.796686 0.042973 O\n0.300155 0.703313 0.542973 O\n0.800155 0.796686 0.457027 O\n0.699844 0.296687 0.457027 O\n0.699844 0.296687 0.042973 O\n0.587925 0.024332 0.750000 O\n0.912075 0.524332 0.750000 O\n0.412075 0.975668 0.250000 O\n0.300155 0.703313 0.957027 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.65358268254148,
"density_atomic": 0.08433229809847273,
"volume": 237.15706142202478,
"volume_molar": 7.140966030556995,
"formula_full": "Cr4 Bi4 O12",
"formula_reduced": "CrBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4027704399999994,
"spacegroup": 62
},
{
"id": "jvasp-94956",
"created_at": "2022-09-04T14:36:20.871054Z",
"updated_at": "2022-09-04T14:36:20.871085Z",
"structure_string": "Ni4 N3\n1.0\n3.970380 -0.000000 -0.000000\n-0.000000 3.970380 0.000000\n0.000000 0.000000 3.970380\nNi N\n4 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.499999 0.500000 N\n0.000000 0.000000 0.500000 N\n0.500001 0.000000 0.000000 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 7.343601045178876,
"density_atomic": 0.11184119955130219,
"volume": 62.58874214585887,
"volume_molar": 5.384545931338666,
"formula_full": "Ni4 N3",
"formula_reduced": "Ni4N3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.241775621428572,
"spacegroup": 221
},
{
"id": "jvasp-69228",
"created_at": "2022-09-04T14:36:20.871346Z",
"updated_at": "2022-09-04T14:36:20.871362Z",
"structure_string": "Ba1 Hg1 Pt2\n1.0\n4.629386 0.000000 0.000000\n0.000000 4.629386 0.000000\n0.000000 -0.000000 4.307801\nBa Hg Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pt"
],
"chemical_system": "Ba-Hg-Pt",
"density": 13.095701299322904,
"density_atomic": 0.0433268954051745,
"volume": 92.32140827524611,
"volume_molar": 13.899312894874022,
"formula_full": "Ba1 Hg1 Pt2",
"formula_reduced": "BaHgPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7915283424999999,
"spacegroup": 123
},
{
"id": "jvasp-71493",
"created_at": "2022-09-04T14:36:20.873901Z",
"updated_at": "2022-09-04T14:36:20.873923Z",
"structure_string": "Be2 Pd1 Ru1\n1.0\n2.800775 0.000000 -0.000000\n0.000000 2.800775 -0.000000\n-0.000000 -0.000000 5.650390\nBe Pd Ru\n2 1 1\ndirect\n0.000000 0.000000 0.737760 Be\n0.000000 0.000000 0.262240 Be\n0.499999 0.499999 0.000000 Pd\n0.499999 0.499999 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"Ru"
],
"chemical_system": "Be-Pd-Ru",
"density": 8.448671798545167,
"density_atomic": 0.09024541039605632,
"volume": 44.32358368636548,
"volume_molar": 6.673071498673316,
"formula_full": "Be2 Pd1 Ru1",
"formula_reduced": "Be2PdRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3611421,
"spacegroup": 123
},
{
"id": "jvasp-98311",
"created_at": "2022-09-04T14:36:20.875758Z",
"updated_at": "2022-09-04T14:36:20.875775Z",
"structure_string": "Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 5.353733274662609,
"density_atomic": 0.0807823315892116,
"volume": 396.1262242680003,
"volume_molar": 7.454774628966331,
"formula_full": "Fe8 Te4 O20",
"formula_reduced": "Fe2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.733298283333333,
"spacegroup": 14
},
{
"id": "jvasp-100124",
"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"In",
"Br"
],
"chemical_system": "Al-Br-In-Rb",
"density": 3.799905654243255,
"density_atomic": 0.028887587881550502,
"volume": 346.16943584918187,
"volume_molar": 20.846810694935634,
"formula_full": "Rb2 Al1 In1 Br6",
"formula_reduced": "Rb2AlInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66866",
"created_at": "2022-09-04T14:36:20.877858Z",
"updated_at": "2022-09-04T14:36:20.877888Z",
"structure_string": "Be1 V1 Co1\n1.0\n1.258373 -2.179565 -0.000000\n1.258373 2.179565 0.000000\n0.000000 -0.000000 5.922032\nBe V Co\n1 1 1\ndirect\n0.000000 0.000000 0.981390 Be\n0.666666 0.333331 0.337197 V\n0.333331 0.666666 0.681412 Co\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"V",
"Co"
],
"chemical_system": "Be-Co-V",
"density": 6.0771933539896805,
"density_atomic": 0.09235093411388817,
"volume": 32.48478240945963,
"volume_molar": 6.52093107425793,
"formula_full": "Be1 V1 Co1",
"formula_reduced": "BeVCo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8212437333333336,
"spacegroup": 156
},
{
"id": "jvasp-74688",
"created_at": "2022-09-04T14:36:20.879091Z",
"updated_at": "2022-09-04T14:36:20.879124Z",
"structure_string": "Be2 Re1 Os1\n1.0\n-2.049455 2.049455 2.902042\n2.049455 -2.049455 2.902042\n2.049455 2.049455 -2.902042\nBe Re Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Re\n0.500000 0.500000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Os"
],
"chemical_system": "Be-Os-Re",
"density": 13.434240256300585,
"density_atomic": 0.08203884409329265,
"volume": 48.757391016520096,
"volume_molar": 7.340596794796088,
"formula_full": "Be2 Re1 Os1",
"formula_reduced": "Be2ReOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1431463,
"spacegroup": 216
}
]
}