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=energy_above_hull&page=172",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=170",
"results": [
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5549499913169593,
"density_atomic": 0.03495250732678792,
"volume": 228.88200623789666,
"volume_molar": 17.229495737447646,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-37682",
"created_at": "2022-09-04T14:38:05.082502Z",
"updated_at": "2022-09-04T14:38:05.082527Z",
"structure_string": "Hg3 F1\n1.0\n-2.300291 2.300291 3.942644\n2.300291 -2.300291 3.942644\n2.300291 2.300291 -3.942644\nHg F\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.499999 0.499999 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"F"
],
"chemical_system": "F-Hg",
"density": 12.352804972154663,
"density_atomic": 0.04793435359491633,
"volume": 83.44745886850176,
"volume_molar": 12.563308584260696,
"formula_full": "Hg3 F1",
"formula_reduced": "Hg3F",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-3651",
"created_at": "2022-09-04T14:38:11.196686Z",
"updated_at": "2022-09-04T14:38:11.196706Z",
"structure_string": "Br2 F6\n1.0\n4.656692 -0.077646 0.000000\n-1.512911 4.404760 0.000000\n0.000000 0.000000 6.162988\nBr F\n2 6\ndirect\n0.835829 0.164170 0.258638 Br\n0.164171 0.835829 0.758638 Br\n0.074445 0.925555 0.094222 F\n0.925555 0.074444 0.594222 F\n0.265890 0.734109 0.494224 F\n0.734109 0.265890 0.994224 F\n0.380903 0.619096 0.882917 F\n0.619096 0.380903 0.382917 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Br",
"F"
],
"chemical_system": "Br-F",
"density": 3.6172900450955336,
"density_atomic": 0.06364924937839839,
"volume": 125.68883495293947,
"volume_molar": 9.461448200587618,
"formula_full": "Br2 F6",
"formula_reduced": "BrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-108596",
"created_at": "2022-09-04T14:38:12.171769Z",
"updated_at": "2022-09-04T14:38:12.171791Z",
"structure_string": "Rb2 Ga1 Ag1 F6\n1.0\n5.300098 -0.000000 3.060013\n1.766699 4.996980 3.060013\n-0.000000 -0.000000 6.120026\nRb Ga Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.777830 0.222170 0.222170 F\n0.222170 0.222170 0.777830 F\n0.222170 0.777830 0.777830 F\n0.222170 0.777830 0.222170 F\n0.777830 0.222170 0.777830 F\n0.777830 0.777830 0.222169 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ga-Rb",
"density": 4.738405514374764,
"density_atomic": 0.06169574625728061,
"volume": 162.0857288653011,
"volume_molar": 9.761030744140383,
"formula_full": "Rb2 Ga1 Ag1 F6",
"formula_reduced": "Rb2GaAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38439",
"created_at": "2022-09-04T14:37:51.542771Z",
"updated_at": "2022-09-04T14:37:51.542806Z",
"structure_string": "Pr1 Nd1 Hg2\n1.0\n0.000000 3.829235 3.829235\n3.829235 0.000000 3.829235\n3.829235 3.829235 0.000000\nPr Nd Hg\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Pr\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd-Pr",
"density": 10.148825927748529,
"density_atomic": 0.035620001733429524,
"volume": 112.29645719657512,
"volume_molar": 16.90662680217726,
"formula_full": "Pr1 Nd1 Hg2",
"formula_reduced": "PrNdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37552",
"created_at": "2022-09-04T14:37:58.634233Z",
"updated_at": "2022-09-04T14:37:58.634257Z",
"structure_string": "Yb1 Dy1 Hg2\n1.0\n-0.000000 3.684094 3.684094\n3.684094 0.000000 3.684094\n3.684094 3.684094 -0.000000\nYb Dy Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250001 0.250001 0.250001 Dy\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg-Yb",
"density": 12.232900789822333,
"density_atomic": 0.039997964211577496,
"volume": 100.0050897300966,
"volume_molar": 15.056118176776804,
"formula_full": "Yb1 Dy1 Hg2",
"formula_reduced": "YbDyHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32666",
"created_at": "2022-09-04T14:38:05.820444Z",
"updated_at": "2022-09-04T14:38:05.820475Z",
"structure_string": "Xe4 F12\n1.0\n6.260770 0.016802 0.000000\n-0.285055 6.472585 0.000000\n0.000000 0.000000 7.343792\nXe F\n4 12\ndirect\n0.500000 -0.000000 0.500000 Xe\n0.000000 0.000000 0.000000 Xe\n-0.000000 0.500000 0.500000 Xe\n0.500000 0.499999 0.000000 Xe\n0.830135 0.819428 0.191059 F\n0.169865 0.180570 0.808941 F\n0.533533 0.209129 0.102843 F\n0.691234 0.491370 0.405911 F\n0.808766 0.508629 0.905911 F\n0.191234 0.491370 0.094089 F\n0.308766 0.508629 0.594089 F\n0.033533 0.209129 0.397157 F\n0.669865 0.180570 0.691058 F\n0.466467 0.790870 0.897156 F\n0.330135 0.819429 0.308941 F\n0.966467 0.790870 0.602843 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Xe",
"F"
],
"chemical_system": "F-Xe",
"density": 4.201989939541606,
"density_atomic": 0.05375795956746577,
"volume": 297.6303440222678,
"volume_molar": 11.20232391343326,
"formula_full": "Xe4 F12",
"formula_reduced": "XeF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-37015",
"created_at": "2022-09-04T14:37:59.975155Z",
"updated_at": "2022-09-04T14:37:59.975177Z",
"structure_string": "K4 O2\n1.0\n4.505932 0.000000 0.000000\n0.000000 4.524123 0.000000\n0.000000 -0.000000 6.381712\nK O\n4 2\ndirect\n0.500000 0.000060 0.749854 K\n0.000000 0.500059 0.750146 K\n0.000000 0.499940 0.249854 K\n0.500000 0.999940 0.250146 K\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.40466906198606,
"density_atomic": 0.0461206067481686,
"volume": 130.09369180162085,
"volume_molar": 13.057375400290313,
"formula_full": "K4 O2",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37263",
"created_at": "2022-09-04T14:37:58.905084Z",
"updated_at": "2022-09-04T14:37:58.905108Z",
"structure_string": "Sm1 Dy1 Hg2\n1.0\n0.000000 3.730057 3.730057\n3.730057 0.000000 3.730057\n3.730057 3.730057 0.000000\nSm Dy Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.249999 0.249999 0.249999 Dy\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg-Sm",
"density": 11.423396148678918,
"density_atomic": 0.038537504671088366,
"volume": 103.79499228451299,
"volume_molar": 15.626701343011279,
"formula_full": "Sm1 Dy1 Hg2",
"formula_reduced": "SmDyHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38098",
"created_at": "2022-09-04T14:38:00.012523Z",
"updated_at": "2022-09-04T14:38:00.012544Z",
"structure_string": "Na1 Tl2 Ga1 F6\n1.0\n0.000000 4.232797 4.232797\n4.232797 -0.000000 4.232797\n4.232797 4.232797 0.000000\nNa Tl Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Ga\n0.228298 0.771703 0.771703 F\n0.228298 0.771703 0.228298 F\n0.771703 0.228298 0.771703 F\n0.771703 0.771703 0.228298 F\n0.228298 0.228298 0.771703 F\n0.771703 0.228298 0.228298 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Tl",
"Ga",
"F"
],
"chemical_system": "F-Ga-Na-Tl",
"density": 6.7381941337149245,
"density_atomic": 0.06593069930479481,
"volume": 151.6744112446074,
"volume_molar": 9.134046542051527,
"formula_full": "Na1 Tl2 Ga1 F6",
"formula_reduced": "NaTl2GaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108851",
"created_at": "2022-09-04T14:38:11.916877Z",
"updated_at": "2022-09-04T14:38:11.916904Z",
"structure_string": "K2 Sm1 Cu1 Cl6\n1.0\n6.328170 -0.000000 3.653571\n2.109390 5.966256 3.653571\n-0.000000 -0.000000 7.307142\nK Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.741840 0.258160 0.258160 Cl\n0.258160 0.258160 0.741839 Cl\n0.258160 0.741840 0.741839 Cl\n0.258160 0.741840 0.258160 Cl\n0.741840 0.258160 0.741839 Cl\n0.741840 0.741840 0.258160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Sm",
"density": 3.038495499202691,
"density_atomic": 0.03624703033344629,
"volume": 275.8846699441935,
"volume_molar": 16.614163159300745,
"formula_full": "K2 Sm1 Cu1 Cl6",
"formula_reduced": "K2SmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117761",
"created_at": "2022-09-04T14:38:28.333479Z",
"updated_at": "2022-09-04T14:38:28.333501Z",
"structure_string": "Rb1 Ca1 Br1\n1.0\n6.191526 -0.000000 0.000000\n-3.095763 5.362019 0.000000\n0.000000 -0.000000 4.007685\nRb Ca Br\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Rb\n0.333334 0.666666 0.000000 Ca\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Br"
],
"chemical_system": "Br-Ca-Rb",
"density": 2.564101375525255,
"density_atomic": 0.022547667719791768,
"volume": 133.0514551341679,
"volume_molar": 26.708486371359456,
"formula_full": "Rb1 Ca1 Br1",
"formula_reduced": "RbCaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
}
]
}