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_reduced&page=4486",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4484",
"results": [
{
"id": "jvasp-94979",
"created_at": "2022-09-04T14:35:57.197766Z",
"updated_at": "2022-09-04T14:35:57.197787Z",
"structure_string": "Y1 Ti2 Ga4\n1.0\n5.319127 -0.013521 -1.367880\n-3.200585 4.248477 -1.367880\n0.006764 0.013521 5.492191\nY Ti Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Ti\n0.249999 0.750000 0.500000 Ti\n0.696886 0.303115 0.000000 Ga\n0.696885 0.696886 0.393772 Ga\n0.303114 0.303114 0.606227 Ga\n0.303114 0.696886 0.000000 Ga\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti-Y",
"density": 6.203713669762289,
"density_atomic": 0.05641844433531105,
"volume": 124.07289996152652,
"volume_molar": 10.674063829567302,
"formula_full": "Y1 Ti2 Ga4",
"formula_reduced": "Y(TiGa2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3594502023809525,
"spacegroup": 139
},
{
"id": "jvasp-15507",
"created_at": "2022-09-04T14:36:44.502563Z",
"updated_at": "2022-09-04T14:36:44.502589Z",
"structure_string": "Y2 Ti2 Ge2\n1.0\n4.045854 0.000000 -0.000000\n0.000000 4.045854 0.000000\n-0.000000 0.000000 7.661443\nY Ti Ge\n2 2 2\ndirect\n0.500000 0.000000 0.343706 Y\n0.000000 0.500000 0.656294 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.245284 Ge\n0.500000 0.000000 0.754715 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-Y",
"density": 5.545636920469797,
"density_atomic": 0.047843204679841565,
"volume": 125.40965932677295,
"volume_molar": 12.587243685491226,
"formula_full": "Y2 Ti2 Ge2",
"formula_reduced": "YTiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9881499111111107,
"spacegroup": 129
},
{
"id": "jvasp-16248",
"created_at": "2022-09-04T14:38:30.441493Z",
"updated_at": "2022-09-04T14:38:30.441517Z",
"structure_string": "Y2 Ti2 Ge2\n1.0\n3.903324 0.000000 -1.001169\n-0.256791 3.894867 -1.001169\n0.028306 0.030233 8.220015\nY Ti Ge\n2 2 2\ndirect\n0.674156 0.674156 0.348311 Y\n0.325845 0.325844 0.651688 Y\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.123523 0.123523 0.247046 Ge\n0.876477 0.876477 0.752953 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-Y",
"density": 5.554719901444567,
"density_atomic": 0.04792156518632821,
"volume": 125.20459164200611,
"volume_molar": 12.566661244441338,
"formula_full": "Y2 Ti2 Ge2",
"formula_reduced": "YTiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.999156577777777,
"spacegroup": 139
},
{
"id": "jvasp-16922",
"created_at": "2022-09-04T14:36:59.812165Z",
"updated_at": "2022-09-04T14:36:59.812185Z",
"structure_string": "Y1 Ti1 O3\n1.0\n3.881677 0.000000 0.000000\n0.000000 3.881677 -0.000000\n0.000000 0.000000 3.881825\nY Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Ti\n0.000000 0.500000 0.499999 O\n0.500000 0.000000 0.499999 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Ti",
"O"
],
"chemical_system": "O-Ti-Y",
"density": 5.245758379195729,
"density_atomic": 0.08548605250493302,
"volume": 58.489073404243015,
"volume_molar": 7.044588659246476,
"formula_full": "Y1 Ti1 O3",
"formula_reduced": "YTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3296188566666665,
"spacegroup": 221
},
{
"id": "jvasp-59881",
"created_at": "2022-09-04T14:37:04.350260Z",
"updated_at": "2022-09-04T14:37:04.350286Z",
"structure_string": "Y2 Ti4 S8\n1.0\n6.701584 0.000000 -3.518416\n-1.847214 6.441974 -3.518416\n-0.306196 -0.406337 7.558298\nY Ti S\n2 4 8\ndirect\n0.375000 0.625000 0.749999 Y\n0.624999 0.375000 0.249999 Y\n0.000000 0.500001 0.000001 Ti\n0.000001 -0.000000 0.500000 Ti\n0.500000 -0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.763890 0.791038 0.527781 S\n0.763256 0.236110 0.972219 S\n0.208962 0.236110 0.972218 S\n0.236109 0.208961 0.472218 S\n0.236109 0.763256 0.472217 S\n0.236743 0.763890 0.027782 S\n0.763889 0.236742 0.527780 S\n0.791037 0.763890 0.027780 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ti",
"S"
],
"chemical_system": "S-Ti-Y",
"density": 3.383352982584203,
"density_atomic": 0.04558173976833274,
"volume": 307.1405363453525,
"volume_molar": 13.211739592668634,
"formula_full": "Y2 Ti4 S8",
"formula_reduced": "Y(TiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7385931595238096,
"spacegroup": 227
},
{
"id": "jvasp-18169",
"created_at": "2022-09-04T14:38:14.692564Z",
"updated_at": "2022-09-04T14:38:14.692590Z",
"structure_string": "Y2 Ti2 Si2\n1.0\n4.036482 0.000000 -0.000000\n0.000000 4.036482 0.000000\n-0.000000 0.000000 7.576279\nY Ti Si\n2 2 2\ndirect\n0.500000 0.000000 0.344971 Y\n0.000000 0.500000 0.655029 Y\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.761075 Si\n0.000000 0.500000 0.238925 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Si"
],
"chemical_system": "Si-Ti-Y",
"density": 4.435351490399025,
"density_atomic": 0.048605929280177616,
"volume": 123.44173002874588,
"volume_molar": 12.389724564850443,
"formula_full": "Y2 Ti2 Si2",
"formula_reduced": "YTiSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6979841277777767,
"spacegroup": 129
},
{
"id": "jvasp-16624",
"created_at": "2022-09-04T14:38:17.999105Z",
"updated_at": "2022-09-04T14:38:17.999125Z",
"structure_string": "Y1 Tl1\n1.0\n3.776442 -0.000000 0.000000\n-0.000000 3.776442 0.000000\n-0.000000 0.000000 3.776442\nY Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Tl"
],
"chemical_system": "Tl-Y",
"density": 9.042669065857456,
"density_atomic": 0.037134838421066865,
"volume": 53.85778113054574,
"volume_molar": 16.21695694947092,
"formula_full": "Y1 Tl1",
"formula_reduced": "YTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.553709025,
"spacegroup": 221
},
{
"id": "jvasp-14534",
"created_at": "2022-09-04T14:38:06.409264Z",
"updated_at": "2022-09-04T14:38:06.409291Z",
"structure_string": "Y1 Tl3\n1.0\n4.750664 -0.000000 0.000000\n0.000000 4.750664 0.000000\n0.000000 0.000000 4.750664\nY Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Tl"
],
"chemical_system": "Tl-Y",
"density": 10.873209417381823,
"density_atomic": 0.037307577152987874,
"volume": 107.21682578306078,
"volume_molar": 16.141870417649734,
"formula_full": "Y1 Tl3",
"formula_reduced": "YTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1831233125,
"spacegroup": 221
},
{
"id": "jvasp-37575",
"created_at": "2022-09-04T14:38:01.736263Z",
"updated_at": "2022-09-04T14:38:01.736293Z",
"structure_string": "Y1 Tl1 Ag2\n1.0\n-0.000000 3.519720 3.519720\n3.519720 -0.000000 3.519720\n3.519720 3.519720 0.000000\nY Tl Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.249999 0.249999 0.249999 Tl\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"Ag"
],
"chemical_system": "Ag-Tl-Y",
"density": 9.69246710588844,
"density_atomic": 0.04586756106329141,
"volume": 87.20760178376409,
"volume_molar": 13.129411332096362,
"formula_full": "Y1 Tl1 Ag2",
"formula_reduced": "YTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3635131425,
"spacegroup": 225
},
{
"id": "jvasp-39510",
"created_at": "2022-09-04T14:38:01.349798Z",
"updated_at": "2022-09-04T14:38:01.349824Z",
"structure_string": "Y1 Tl1 Cd1\n1.0\n4.370302 0.000000 2.523195\n1.456767 4.120360 2.523195\n0.000000 0.000000 5.046391\nY Tl Cd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl-Y",
"density": 7.413559154361911,
"density_atomic": 0.03301366546863431,
"volume": 90.87146057290265,
"volume_molar": 18.241357554560334,
"formula_full": "Y1 Tl1 Cd1",
"formula_reduced": "YTlCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1134125999999999,
"spacegroup": 216
},
{
"id": "jvasp-50190",
"created_at": "2022-09-04T14:36:47.748892Z",
"updated_at": "2022-09-04T14:36:47.748912Z",
"structure_string": "Y1 Tl1 O2\n1.0\n3.494190 0.000000 -0.000000\n-1.747095 1.008686 6.445047\n1.747095 -3.026057 0.000000\nY Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.224324 0.672974 0.224323 O\n0.775677 0.327027 0.775677 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"O"
],
"chemical_system": "O-Tl-Y",
"density": 7.926242649628549,
"density_atomic": 0.05869623999348758,
"volume": 68.14746567146047,
"volume_molar": 10.25984076777007,
"formula_full": "Y1 Tl1 O2",
"formula_reduced": "YTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1212537625,
"spacegroup": 166
},
{
"id": "jvasp-16607",
"created_at": "2022-09-04T14:37:55.219463Z",
"updated_at": "2022-09-04T14:37:55.219487Z",
"structure_string": "Y3 Tl3 Pd3\n1.0\n3.926564 -6.801008 0.000000\n3.926564 6.801008 0.000000\n0.000000 -0.000000 3.769110\nY Tl Pd\n3 3 3\ndirect\n-0.000000 0.598436 0.500000 Y\n0.401563 0.401563 0.500000 Y\n0.598436 -0.000000 0.500000 Y\n-0.000000 0.269001 0.000000 Tl\n0.269001 -0.000000 0.000000 Tl\n0.730998 0.730998 0.000000 Tl\n0.333332 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333332 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl-Y",
"density": 9.891443349575225,
"density_atomic": 0.04470825663457531,
"volume": 201.3050983750463,
"volume_molar": 13.469862645779736,
"formula_full": "Y3 Tl3 Pd3",
"formula_reduced": "YTlPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9336645833333334,
"spacegroup": 189
}
]
}