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=id&page=1524",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1522",
"results": [
{
"id": "jvasp-1639",
"created_at": "2022-09-04T14:36:38.910574Z",
"updated_at": "2022-09-04T14:36:38.910593Z",
"structure_string": "Cd1 Hg1 O2\n1.0\n3.499109 0.001447 -0.420062\n1.729809 3.041633 -0.420062\n-0.803114 -0.467389 6.489668\nCd Hg O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500000 0.500001 Hg\n0.612709 0.612708 0.817958 O\n0.387293 0.387292 0.182043 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"O"
],
"chemical_system": "Cd-Hg-O",
"density": 8.464581551576089,
"density_atomic": 0.05910136944509097,
"volume": 67.68032682755788,
"volume_molar": 10.189511370958945,
"formula_full": "Cd1 Hg1 O2",
"formula_reduced": "CdHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1292203374999999,
"spacegroup": 12
},
{
"id": "jvasp-16390",
"created_at": "2022-09-04T14:38:29.887011Z",
"updated_at": "2022-09-04T14:38:29.887036Z",
"structure_string": "Er2 Cu2 As4\n1.0\n3.898130 0.000000 -0.000000\n-0.000000 3.898130 -0.000000\n0.000000 0.000000 9.793267\nEr Cu As\n2 2 4\ndirect\n0.500000 0.000000 0.764309 Er\n0.000000 0.500000 0.235692 Er\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.335301 As\n0.000000 0.500000 0.664699 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Er",
"Cu",
"As"
],
"chemical_system": "As-Cu-Er",
"density": 8.494985493281256,
"density_atomic": 0.053758823409517625,
"volume": 148.81278072361337,
"volume_molar": 11.20214390505768,
"formula_full": "Er2 Cu2 As4",
"formula_reduced": "ErCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1914534875,
"spacegroup": 129
},
{
"id": "jvasp-16391",
"created_at": "2022-09-04T14:38:31.898154Z",
"updated_at": "2022-09-04T14:38:31.898176Z",
"structure_string": "Tm2 Cu2 As4\n1.0\n3.888741 -0.000000 -0.000000\n0.000000 3.888741 0.000000\n0.000000 0.000000 9.764682\nTm Cu As\n2 2 4\ndirect\n0.500000 0.000000 0.764627 Tm\n0.000000 0.500000 0.235372 Tm\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.334152 As\n0.000000 0.500000 0.665847 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"As"
],
"chemical_system": "As-Cu-Tm",
"density": 8.598720682596964,
"density_atomic": 0.05417686175629915,
"volume": 147.66451471452828,
"volume_molar": 11.115706160849756,
"formula_full": "Tm2 Cu2 As4",
"formula_reduced": "TmCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.19059705,
"spacegroup": 129
},
{
"id": "jvasp-16392",
"created_at": "2022-09-04T14:38:33.147385Z",
"updated_at": "2022-09-04T14:38:33.147413Z",
"structure_string": "Ga2 Au2 O4\n1.0\n1.519225 -2.631374 0.000000\n1.519225 2.631374 -0.000000\n0.000000 -0.000000 12.409105\nGa Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666665 0.333332 0.250000 Au\n0.333332 0.666665 0.750000 Au\n0.333332 0.666665 0.580673 O\n0.666665 0.333332 0.080673 O\n0.333332 0.666665 0.919328 O\n0.666665 0.333332 0.419327 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Au",
"O"
],
"chemical_system": "Au-Ga-O",
"density": 9.998210403223439,
"density_atomic": 0.08063337801695976,
"volume": 99.2144964870174,
"volume_molar": 7.468545790966804,
"formula_full": "Ga2 Au2 O4",
"formula_reduced": "GaAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8755392237499999,
"spacegroup": 194
},
{
"id": "jvasp-16393",
"created_at": "2022-09-04T14:37:46.794109Z",
"updated_at": "2022-09-04T14:37:46.794130Z",
"structure_string": "Zr6 Al2 Fe1\n1.0\n3.975399 -6.885593 0.000000\n3.975399 6.885593 0.000000\n-0.000000 -0.000000 3.318172\nZr Al Fe\n6 2 1\ndirect\n0.600856 0.000000 0.000000 Zr\n0.399144 0.399144 0.000000 Zr\n0.000000 0.600856 0.000000 Zr\n0.000000 0.248446 0.500000 Zr\n0.751554 0.751554 0.500000 Zr\n0.248446 0.000000 0.500000 Zr\n0.333333 0.666667 0.500000 Al\n0.666667 0.333333 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Zr",
"density": 6.0070883572399625,
"density_atomic": 0.04954405474989182,
"volume": 181.6565084435212,
"volume_molar": 12.155122931300149,
"formula_full": "Zr6 Al2 Fe1",
"formula_reduced": "Zr6Al2Fe",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.260954233333334,
"spacegroup": 189
},
{
"id": "jvasp-16394",
"created_at": "2022-09-04T14:37:27.591509Z",
"updated_at": "2022-09-04T14:37:27.591530Z",
"structure_string": "Yb3 Ag3 Sn3\n1.0\n2.392585 -4.144078 0.000000\n2.392585 4.144078 -0.000000\n0.000000 -0.000000 10.747726\nYb Ag Sn\n3 3 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.332311 Yb\n0.000000 0.000000 0.667689 Yb\n0.666666 0.333332 0.194860 Ag\n0.666666 0.333332 0.805140 Ag\n0.333332 0.666666 0.500000 Ag\n0.333332 0.666666 0.147031 Sn\n0.666666 0.333332 0.500000 Sn\n0.333332 0.666666 0.852969 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Yb",
"density": 9.340577601836852,
"density_atomic": 0.04222801147500563,
"volume": 213.12867183734232,
"volume_molar": 14.261009575514704,
"formula_full": "Yb3 Ag3 Sn3",
"formula_reduced": "YbAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-16395",
"created_at": "2022-09-04T14:38:01.511615Z",
"updated_at": "2022-09-04T14:38:01.511627Z",
"structure_string": "Ti3 In3 Rh2\n1.0\n3.663699 -6.345713 -0.000000\n3.663699 6.345713 0.000000\n0.000000 -0.000000 3.070016\nTi In Rh\n3 3 2\ndirect\n0.000000 0.582801 0.500001 Ti\n0.417199 0.417199 0.500001 Ti\n0.582801 0.000000 0.500001 Ti\n0.000000 0.237196 0.000000 In\n0.762805 0.762805 0.000000 In\n0.237196 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"In",
"Rh"
],
"chemical_system": "In-Rh-Ti",
"density": 8.07149269359276,
"density_atomic": 0.05604271160244188,
"volume": 142.74826772749208,
"volume_molar": 10.745627018764033,
"formula_full": "Ti3 In3 Rh2",
"formula_reduced": "Ti3In3Rh2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.2432413637500006,
"spacegroup": 189
},
{
"id": "jvasp-16397",
"created_at": "2022-09-04T14:38:00.455712Z",
"updated_at": "2022-09-04T14:38:00.455742Z",
"structure_string": "Ce2 Sn2 Au2\n1.0\n2.392740 -4.144347 0.000000\n2.392740 4.144347 -0.000000\n0.000000 -0.000000 7.574363\nCe Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.469865 Ce\n0.000000 0.000000 0.969865 Ce\n0.666667 0.333333 0.698523 Sn\n0.333333 0.666667 0.198523 Sn\n0.333333 0.666667 0.786951 Au\n0.666667 0.333333 0.286952 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Au"
],
"chemical_system": "Au-Ce-Sn",
"density": 10.07670633559426,
"density_atomic": 0.03994142166747565,
"volume": 150.21999091448984,
"volume_molar": 15.077432170882982,
"formula_full": "Ce2 Sn2 Au2",
"formula_reduced": "CeSnAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.65048159,
"spacegroup": 186
},
{
"id": "jvasp-16399",
"created_at": "2022-09-04T14:37:46.884179Z",
"updated_at": "2022-09-04T14:37:46.884210Z",
"structure_string": "Nd3 Mg3 Pt3\n1.0\n3.776402 -6.540921 -0.000000\n3.776402 6.540921 0.000000\n0.000000 -0.000000 4.132375\nNd Mg Pt\n3 3 3\ndirect\n0.588060 0.588060 0.000000 Nd\n-0.000000 0.411940 0.000000 Nd\n0.411940 -0.000000 0.000000 Nd\n0.759034 -0.000000 0.500001 Mg\n0.240965 0.240965 0.500001 Mg\n-0.000000 0.759034 0.500001 Mg\n0.666667 0.333333 0.500001 Pt\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500001 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 8.873284544572567,
"density_atomic": 0.04408548931423467,
"volume": 204.14880587690357,
"volume_molar": 13.660142721962538,
"formula_full": "Nd3 Mg3 Pt3",
"formula_reduced": "NdMgPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6903639833333334,
"spacegroup": 189
},
{
"id": "jvasp-164",
"created_at": "2022-09-04T14:37:11.930463Z",
"updated_at": "2022-09-04T14:37:11.930478Z",
"structure_string": "B2 Cl6\n1.0\n3.002776 -5.200960 0.000000\n3.002776 5.200961 0.000000\n0.000000 0.000000 6.370269\nB Cl\n2 6\ndirect\n0.333334 0.666668 0.250000 B\n0.666668 0.333334 0.750000 B\n0.051817 0.368327 0.250000 Cl\n0.683491 0.051818 0.750000 Cl\n0.368327 0.316510 0.750000 Cl\n0.631674 0.683491 0.250000 Cl\n0.316510 0.948184 0.250000 Cl\n0.948184 0.631675 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Cl"
],
"chemical_system": "B-Cl",
"density": 1.955695624177747,
"density_atomic": 0.04020644989872662,
"volume": 198.97305084509262,
"volume_molar": 14.978046495447309,
"formula_full": "B2 Cl6",
"formula_reduced": "BCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9535711964583335,
"spacegroup": 176
},
{
"id": "jvasp-16400",
"created_at": "2022-09-04T14:37:55.700331Z",
"updated_at": "2022-09-04T14:37:55.700354Z",
"structure_string": "Yb1 In5 Rh1\n1.0\n4.669272 -0.000000 -0.000000\n-0.000000 4.669272 0.000000\n0.000000 0.000000 7.518385\nYb In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.299072 In\n0.000000 0.500000 0.299072 In\n0.500000 0.000000 0.700929 In\n0.000000 0.500000 0.700929 In\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Yb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Yb",
"density": 8.611191598233209,
"density_atomic": 0.042704646516136674,
"volume": 163.9165892019486,
"volume_molar": 14.101839615331865,
"formula_full": "Yb1 In5 Rh1",
"formula_reduced": "YbIn5Rh",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-16401",
"created_at": "2022-09-04T14:37:56.426602Z",
"updated_at": "2022-09-04T14:37:56.426627Z",
"structure_string": "Pa2 As4\n1.0\n4.023280 0.000000 0.000000\n0.000000 4.023280 0.000000\n0.000000 0.000000 8.199185\nPa As\n2 4\ndirect\n0.500000 0.000000 0.278733 Pa\n0.000000 0.500000 0.721267 Pa\n0.500000 0.000000 0.638917 As\n0.000000 0.500000 0.361082 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pa",
"As"
],
"chemical_system": "As-Pa",
"density": 9.530924084136133,
"density_atomic": 0.04520849485409666,
"volume": 132.71841983158387,
"volume_molar": 13.320816761176227,
"formula_full": "Pa2 As4",
"formula_reduced": "PaAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.469315533333333,
"spacegroup": 129
}
]
}