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=442",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=440",
"results": [
{
"id": "jvasp-118946",
"created_at": "2022-09-04T14:38:48.047355Z",
"updated_at": "2022-09-04T14:38:48.047369Z",
"structure_string": "Rb1 Te1 Au1\n1.0\n5.995646 0.000000 0.000000\n-2.997823 5.192382 -0.000000\n0.000000 -0.000000 3.068326\nRb Te Au\n1 1 1\ndirect\n0.333334 0.666667 -0.000000 Rb\n0.666668 0.333333 -0.000000 Te\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Au"
],
"chemical_system": "Au-Rb-Te",
"density": 7.127959761423792,
"density_atomic": 0.03140632610951517,
"volume": 95.52215657249671,
"volume_molar": 19.174929085944477,
"formula_full": "Rb1 Te1 Au1",
"formula_reduced": "RbTeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2704875561111112,
"spacegroup": 187
},
{
"id": "jvasp-107893",
"created_at": "2022-09-04T14:37:49.956791Z",
"updated_at": "2022-09-04T14:37:49.956823Z",
"structure_string": "Yb1 Ac1 Tl2\n1.0\n4.890820 -0.000000 2.823716\n1.630273 4.611109 2.823716\n-0.000000 -0.000000 5.647433\nYb Ac Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Ac\n0.749999 0.750000 0.750001 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ac",
"Tl"
],
"chemical_system": "Ac-Tl-Yb",
"density": 10.54521961514815,
"density_atomic": 0.03140666601359638,
"volume": 127.36149702322254,
"volume_molar": 19.174721561954176,
"formula_full": "Yb1 Ac1 Tl2",
"formula_reduced": "AcYbTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20913",
"created_at": "2022-09-04T14:38:36.595217Z",
"updated_at": "2022-09-04T14:38:36.595243Z",
"structure_string": "Rb12 Nb4 S16\n1.0\n9.599277 0.000000 0.000000\n-0.000000 9.657139 0.000000\n0.000000 0.000000 10.990389\nRb Nb S\n12 4 16\ndirect\n0.051258 0.290824 0.542538 Rb\n0.858301 0.915465 0.750000 Rb\n0.141699 0.084535 0.250000 Rb\n0.641699 0.415465 0.250000 Rb\n0.948742 0.709176 0.457462 Rb\n0.448742 0.790825 0.042538 Rb\n0.551259 0.209176 0.542538 Rb\n0.051258 0.290824 0.957462 Rb\n0.948742 0.709176 0.042538 Rb\n0.551259 0.209176 0.957462 Rb\n0.448742 0.790825 0.457462 Rb\n0.358301 0.584535 0.750000 Rb\n0.217865 0.515394 0.250000 Nb\n0.717865 0.984606 0.250000 Nb\n0.282135 0.015394 0.750000 Nb\n0.782135 0.484606 0.750000 Nb\n0.833498 0.050243 0.423214 S\n0.166502 0.949757 0.923214 S\n0.166502 0.949757 0.576786 S\n0.666503 0.550243 0.923214 S\n0.333498 0.449757 0.423214 S\n0.833498 0.050243 0.076786 S\n0.997035 0.421070 0.250000 S\n0.497035 0.078930 0.250000 S\n0.002965 0.578930 0.750000 S\n0.699121 0.747843 0.250000 S\n0.199121 0.752157 0.250000 S\n0.800879 0.247843 0.750000 S\n0.300879 0.252157 0.750000 S\n0.333498 0.449757 0.076786 S\n0.502965 0.921070 0.750000 S\n0.666503 0.550243 0.576786 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"S"
],
"chemical_system": "Nb-Rb-S",
"density": 3.113478387405185,
"density_atomic": 0.031408696100748035,
"volume": 1018.8261205544883,
"volume_molar": 19.173482212324554,
"formula_full": "Rb12 Nb4 S16",
"formula_reduced": "Rb3NbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.322312425,
"spacegroup": 62
},
{
"id": "jvasp-39038",
"created_at": "2022-09-04T14:38:07.278212Z",
"updated_at": "2022-09-04T14:38:07.278233Z",
"structure_string": "Sm1 Y3\n1.0\n-2.518883 2.518883 5.017746\n2.518883 -2.518883 5.017746\n2.518883 2.518883 -5.017746\nSm Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750001 0.250000 0.500001 Y\n0.250000 0.750001 0.500001 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Y"
],
"chemical_system": "Sm-Y",
"density": 5.438526584336221,
"density_atomic": 0.031410535167086286,
"volume": 127.34580861874086,
"volume_molar": 19.172359617451967,
"formula_full": "Sm1 Y3",
"formula_reduced": "SmY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.56444130625,
"spacegroup": 139
},
{
"id": "jvasp-102523",
"created_at": "2022-09-04T14:36:51.185099Z",
"updated_at": "2022-09-04T14:36:51.185121Z",
"structure_string": "Li1 Pr3\n1.0\n5.031070 -0.000000 0.000000\n0.000000 5.031070 0.000000\n-0.000000 -0.000000 5.031070\nLi Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pr"
],
"chemical_system": "Li-Pr",
"density": 5.602694398657077,
"density_atomic": 0.031410793775587996,
"volume": 127.34476016676602,
"volume_molar": 19.172201769317653,
"formula_full": "Li1 Pr3",
"formula_reduced": "LiPr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4693723875,
"spacegroup": 221
},
{
"id": "jvasp-16793",
"created_at": "2022-09-04T14:38:30.342019Z",
"updated_at": "2022-09-04T14:38:30.342041Z",
"structure_string": "Li1 Ca6 Ge1\n1.0\n6.161762 -0.000000 3.557495\n2.053921 5.809365 3.557495\n-0.000000 -0.000000 7.114989\nLi Ca Ge\n1 6 1\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 0.500000 0.000001 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500001 Ca\n0.000000 0.500000 0.000001 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Li",
"density": 2.0866891391619378,
"density_atomic": 0.03141102949295658,
"volume": 254.68760907037043,
"volume_molar": 19.17205789562029,
"formula_full": "Li1 Ca6 Ge1",
"formula_reduced": "LiCa6Ge",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Br"
],
"chemical_system": "Br-Hg-Pd-Rb",
"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
"formula_reduced": "Rb2Hg2PdBr8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-109740",
"created_at": "2022-09-04T14:38:16.948422Z",
"updated_at": "2022-09-04T14:38:16.948459Z",
"structure_string": "Ge1 Sb4 Te4\n1.0\n4.344937 0.000000 0.000000\n-2.172468 3.762826 0.000000\n0.000000 0.000000 17.523499\nGe Sb Te\n1 4 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666667 0.544678 Sb\n0.666667 0.333334 0.455322 Sb\n0.666667 0.333334 0.788669 Sb\n0.333334 0.666667 0.211331 Sb\n0.333334 0.666667 0.903494 Te\n0.666667 0.333334 0.096506 Te\n0.000000 0.000000 0.690542 Te\n0.000000 0.000000 0.309458 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Sb-Te",
"density": 6.202216135394386,
"density_atomic": 0.03141405945702771,
"volume": 286.4959242950242,
"volume_molar": 19.170208703010438,
"formula_full": "Ge1 Sb4 Te4",
"formula_reduced": "Ge(SbTe)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4207834907407406,
"spacegroup": 164
},
{
"id": "jvasp-108784",
"created_at": "2022-09-04T14:38:28.073845Z",
"updated_at": "2022-09-04T14:38:28.073876Z",
"structure_string": "Dy1 Ag1 Te2\n1.0\n4.475404 -0.000000 0.000000\n-2.237702 3.875813 0.000000\n-0.000000 -0.000000 7.340054\nDy Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.013868 Dy\n0.333333 0.666666 0.611458 Ag\n0.333333 0.666666 0.235656 Te\n0.666666 0.333333 0.769018 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Ag",
"Te"
],
"chemical_system": "Ag-Dy-Te",
"density": 6.854627542534087,
"density_atomic": 0.03141706970305927,
"volume": 127.31932156010387,
"volume_molar": 19.16837189756621,
"formula_full": "Dy1 Ag1 Te2",
"formula_reduced": "DyAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5154648233333332,
"spacegroup": 156
},
{
"id": "jvasp-39026",
"created_at": "2022-09-04T14:37:59.440414Z",
"updated_at": "2022-09-04T14:37:59.440446Z",
"structure_string": "Sm3 Ho1\n1.0\n-2.517017 2.517017 5.024089\n2.517017 -2.517017 5.024089\n2.517017 2.517017 -5.024089\nSm Ho\n3 1\ndirect\n0.750003 0.250000 0.500002 Sm\n0.250000 0.750003 0.500002 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ho"
],
"chemical_system": "Ho-Sm",
"density": 8.034289420167525,
"density_atomic": 0.03141740989764454,
"volume": 127.31794291864561,
"volume_molar": 19.168164338243226,
"formula_full": "Sm3 Ho1",
"formula_reduced": "Sm3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4969830479166666,
"spacegroup": 139
},
{
"id": "jvasp-79031",
"created_at": "2022-09-04T14:37:15.946086Z",
"updated_at": "2022-09-04T14:37:15.946109Z",
"structure_string": "Rb1 Br3\n1.0\n-2.269755 2.269755 6.178296\n2.269755 -2.269755 6.178296\n2.269755 2.269755 -6.178296\nRb Br\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750002 0.250000 0.500002 Br\n0.250000 0.750002 0.500002 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Br"
],
"chemical_system": "Br-Rb",
"density": 4.241173034117362,
"density_atomic": 0.031417623121482254,
"volume": 127.31707884244565,
"volume_molar": 19.168034248530642,
"formula_full": "Rb1 Br3",
"formula_reduced": "RbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1574595525,
"spacegroup": 139
},
{
"id": "jvasp-109616",
"created_at": "2022-09-04T14:38:20.582436Z",
"updated_at": "2022-09-04T14:38:20.582445Z",
"structure_string": "Y3 Th1\n1.0\n4.610019 0.004996 -4.037595\n-0.944823 4.512162 -4.037595\n-0.004053 -0.004996 6.128167\nY Th\n3 1\ndirect\n0.750001 0.250000 0.500000 Y\n0.250001 0.749999 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Th"
],
"chemical_system": "Th-Y",
"density": 6.505096097748339,
"density_atomic": 0.03141787567783358,
"volume": 127.31605538887983,
"volume_molar": 19.167880163994774,
"formula_full": "Y3 Th1",
"formula_reduced": "Y3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0235979875000005,
"spacegroup": 139
}
]
}