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=1534",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1532",
"results": [
{
"id": "jvasp-39849",
"created_at": "2022-09-04T14:37:55.170467Z",
"updated_at": "2022-09-04T14:37:55.170489Z",
"structure_string": "Li1 Zr1 Ir2\n1.0\n0.000004 3.146642 3.146642\n3.146642 0.000004 3.146642\n3.146642 3.146642 0.000004\nLi Zr Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.750002 0.750002 0.750002 Zr\n-0.000001 -0.000001 -0.000001 Ir\n0.499999 0.499999 0.499999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Ir"
],
"chemical_system": "Ir-Li-Zr",
"density": 12.86069213929407,
"density_atomic": 0.0641931693688707,
"volume": 62.31192569749837,
"volume_molar": 9.38127968942491,
"formula_full": "Li1 Zr1 Ir2",
"formula_reduced": "LiZrIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.387994175,
"spacegroup": 225
},
{
"id": "jvasp-40198",
"created_at": "2022-09-04T14:37:55.167535Z",
"updated_at": "2022-09-04T14:37:55.167561Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n-6.411029 -0.000000 -2.919351\n-0.000000 -7.111582 0.000000\n0.353806 0.000000 7.722158\nCa Sn S\n4 2 8\ndirect\n0.051910 0.522774 0.290659 Ca\n0.738749 0.977226 0.290659 Ca\n0.761251 0.477226 0.709341 Ca\n0.448090 0.022774 0.709341 Ca\n0.460118 0.500000 0.000000 Sn\n0.039882 0.000000 0.000000 Sn\n0.172750 0.750000 0.845502 S\n0.327249 0.250000 0.154498 S\n0.777301 0.250000 0.054601 S\n0.722699 0.750000 0.945399 S\n0.334336 0.395301 0.651011 S\n0.816674 0.104699 0.651011 S\n0.683326 0.604699 0.348989 S\n0.165663 0.895301 0.348989 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.1515066282990203,
"density_atomic": 0.040611787414555435,
"volume": 344.72750133086583,
"volume_molar": 14.82855383469687,
"formula_full": "Ca4 Sn2 S8",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9644060771428572,
"spacegroup": 20
},
{
"id": "jvasp-37303",
"created_at": "2022-09-04T14:37:55.163855Z",
"updated_at": "2022-09-04T14:37:55.163877Z",
"structure_string": "Sn2 I4\n1.0\n7.562997 0.000000 0.000000\n-0.000000 7.562997 0.000000\n0.000000 0.000000 4.648176\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.296653 0.296653 0.000000 I\n0.703347 0.703347 0.000000 I\n0.203347 0.796654 0.500000 I\n0.796654 0.203347 0.500000 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.653256915213959,
"density_atomic": 0.02256736380615642,
"volume": 265.8706640056553,
"volume_molar": 26.685176043278698,
"formula_full": "Sn2 I4",
"formula_reduced": "SnI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.01554,
"spacegroup": 136
},
{
"id": "jvasp-37607",
"created_at": "2022-09-04T14:37:55.163545Z",
"updated_at": "2022-09-04T14:37:55.163569Z",
"structure_string": "Y1 Tm1 Hg2\n1.0\n0.000000 3.675551 3.675551\n3.675551 0.000000 3.675551\n3.675551 3.675551 -0.000000\nY Tm Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Y\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tm",
"Hg"
],
"chemical_system": "Hg-Tm-Y",
"density": 11.01920789088254,
"density_atomic": 0.040277512041457256,
"volume": 99.31100004098661,
"volume_molar": 14.95162053157968,
"formula_full": "Y1 Tm1 Hg2",
"formula_reduced": "YTmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1199397249999999,
"spacegroup": 225
},
{
"id": "jvasp-39067",
"created_at": "2022-09-04T14:37:55.162965Z",
"updated_at": "2022-09-04T14:37:55.162982Z",
"structure_string": "Sm1 Er1 Hg2\n1.0\n0.000000 3.716578 3.716578\n3.716578 -0.000000 3.716578\n3.716578 3.716578 -0.000000\nSm Er Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Hg"
],
"chemical_system": "Er-Hg-Sm",
"density": 11.62510303145672,
"density_atomic": 0.03895832177236103,
"volume": 102.67382726013108,
"volume_molar": 15.457906003210862,
"formula_full": "Sm1 Er1 Hg2",
"formula_reduced": "SmErHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15887",
"created_at": "2022-09-04T14:37:55.142856Z",
"updated_at": "2022-09-04T14:37:55.142873Z",
"structure_string": "Mn3 B4\n1.0\n2.874487 -0.000000 -0.643967\n-0.149947 2.909237 -0.669321\n-0.019782 -0.006750 6.649127\nMn B\n3 4\ndirect\n0.184661 0.184650 0.369322 Mn\n0.815340 0.815351 0.630678 Mn\n0.500001 -0.000000 -0.000000 Mn\n0.932391 0.432395 0.864779 B\n0.067610 0.567606 0.135221 B\n0.356480 0.356487 0.712961 B\n0.643520 0.643514 0.287039 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 6.219076323149266,
"density_atomic": 0.12600568163168216,
"volume": 55.55305053990486,
"volume_molar": 4.779261285695729,
"formula_full": "Mn3 B4",
"formula_reduced": "Mn3B4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.94481743678161,
"spacegroup": 71
},
{
"id": "jvasp-25379",
"created_at": "2022-09-04T14:37:55.138122Z",
"updated_at": "2022-09-04T14:37:55.138155Z",
"structure_string": "H4\n1.0\n0.000000 0.000000 4.130707\n4.880959 -0.000441 0.000000\n2.440243 2.391065 0.000000\nH\n4\ndirect\n0.568710 0.948593 0.102876 H\n0.931293 0.448594 0.102877 H\n0.068708 0.551406 0.897125 H\n0.431291 0.051404 0.897126 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.13886180063427944,
"density_atomic": 0.08296578267512715,
"volume": 48.212647082026336,
"volume_molar": 7.258583678504146,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.00163,
"spacegroup": 64
},
{
"id": "jvasp-39235",
"created_at": "2022-09-04T14:37:55.137571Z",
"updated_at": "2022-09-04T14:37:55.137594Z",
"structure_string": "Lu1 Sc1 Zn2\n1.0\n0.000000 3.404805 3.404805\n3.404805 0.000000 3.404805\n3.404805 3.404805 0.000000\nLu Sc Zn\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Lu\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Sc",
"Zn"
],
"chemical_system": "Lu-Sc-Zn",
"density": 7.377832591911086,
"density_atomic": 0.05067027525726269,
"volume": 78.94174601758593,
"volume_molar": 11.884957658951798,
"formula_full": "Lu1 Sc1 Zn2",
"formula_reduced": "LuScZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0985404499999998,
"spacegroup": 225
},
{
"id": "jvasp-40551",
"created_at": "2022-09-04T14:37:55.135136Z",
"updated_at": "2022-09-04T14:37:55.135167Z",
"structure_string": "Li1 Hf1 Pt2\n1.0\n-0.000000 3.186111 3.186111\n3.186111 0.000000 3.186111\n3.186111 3.186111 0.000000\nLi Hf Pt\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Pt\n0.499999 0.499999 0.499999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Pt"
],
"chemical_system": "Hf-Li-Pt",
"density": 14.775984490944033,
"density_atomic": 0.06183684023272629,
"volume": 64.68635824446696,
"volume_molar": 9.738758864999163,
"formula_full": "Li1 Hf1 Pt2",
"formula_reduced": "LiHfPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.60316895,
"spacegroup": 225
},
{
"id": "jvasp-39399",
"created_at": "2022-09-04T14:37:55.134230Z",
"updated_at": "2022-09-04T14:37:55.134251Z",
"structure_string": "Lu2 Ga1 Ag1\n1.0\n0.000000 3.512710 3.512710\n3.512710 0.000000 3.512710\n3.512710 3.512710 0.000000\nLu Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.750000 0.750000 0.750000 Ga\n0.250001 0.250001 0.250001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Lu",
"density": 10.104979141528489,
"density_atomic": 0.046142710746844486,
"volume": 86.68758153255104,
"volume_molar": 13.051120453324973,
"formula_full": "Lu2 Ga1 Ag1",
"formula_reduced": "Lu2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.36849777125,
"spacegroup": 225
},
{
"id": "jvasp-48089",
"created_at": "2022-09-04T14:37:55.127265Z",
"updated_at": "2022-09-04T14:37:55.127287Z",
"structure_string": "Li2 V1 Ga3 O8\n1.0\n5.153675 0.028482 0.000862\n0.049488 5.471632 -0.009107\n0.055452 0.032598 6.513163\nLi V Ga O\n2 1 3 8\ndirect\n0.497145 0.099174 0.624033 Li\n0.002123 0.430433 0.127285 Li\n0.501124 0.084675 0.123523 V\n0.991951 0.415357 0.627088 Ga\n0.478401 0.577963 0.390971 Ga\n0.017170 0.908534 0.858237 Ga\n0.168798 0.082103 0.087690 O\n0.127525 0.098133 0.647655 O\n0.610490 0.377781 0.164421 O\n0.633068 0.419172 0.603341 O\n0.127883 0.543659 0.383901 O\n0.071549 0.583268 0.869404 O\n0.575141 0.905541 0.340244 O\n0.650682 0.974321 0.902113 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O-V",
"density": 3.634584302125497,
"density_atomic": 0.07622912241013888,
"volume": 183.65684343937727,
"volume_molar": 7.9000525909229475,
"formula_full": "Li2 V1 Ga3 O8",
"formula_reduced": "Li2VGa3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.9400156553571437,
"spacegroup": 1
},
{
"id": "jvasp-39473",
"created_at": "2022-09-04T14:37:55.127097Z",
"updated_at": "2022-09-04T14:37:55.127124Z",
"structure_string": "Re6 Sn2\n1.0\n2.865339 -4.962912 0.000000\n2.865339 4.962912 -0.000000\n-0.000000 -0.000000 4.582061\nRe Sn\n6 2\ndirect\n0.670436 0.835219 0.250000 Re\n0.164782 0.835218 0.250000 Re\n0.164782 0.329564 0.250000 Re\n0.329564 0.164782 0.750000 Re\n0.835218 0.164782 0.750000 Re\n0.835219 0.670436 0.750000 Re\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Sn"
],
"chemical_system": "Re-Sn",
"density": 17.261423113513324,
"density_atomic": 0.061388431796812984,
"volume": 130.31771240677506,
"volume_molar": 9.809895095434973,
"formula_full": "Re6 Sn2",
"formula_reduced": "Re3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 5.445431424999999,
"spacegroup": 194
}
]
}