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=nelements&page=148",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=146",
"results": [
{
"id": "jvasp-19943",
"created_at": "2022-09-04T14:37:58.107315Z",
"updated_at": "2022-09-04T14:37:58.107335Z",
"structure_string": "Zr2 Fe4\n1.0\n4.285848 -0.000000 2.474436\n1.428616 4.040737 2.474436\n0.000000 0.000000 4.948872\nZr Fe\n2 4\ndirect\n0.875001 0.875001 0.875000 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.500001 0.500000 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Fe"
],
"chemical_system": "Fe-Zr",
"density": 7.86298659402381,
"density_atomic": 0.07000800153695882,
"volume": 85.7044890337637,
"volume_molar": 8.602074945420023,
"formula_full": "Zr2 Fe4",
"formula_reduced": "ZrFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2043085,
"spacegroup": 227
},
{
"id": "jvasp-17243",
"created_at": "2022-09-04T14:37:58.135011Z",
"updated_at": "2022-09-04T14:37:58.135038Z",
"structure_string": "Cu3 N1\n1.0\n3.502940 -0.000000 -0.000000\n0.000000 3.502940 -0.000000\n-0.000000 -0.000000 3.502940\nCu N\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.9059033951487505,
"density_atomic": 0.09305975301974756,
"volume": 42.98313578321219,
"volume_molar": 6.471262349817417,
"formula_full": "Cu3 N1",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.17704865,
"spacegroup": 221
},
{
"id": "jvasp-38240",
"created_at": "2022-09-04T14:37:58.196982Z",
"updated_at": "2022-09-04T14:37:58.196997Z",
"structure_string": "Rb3 Hf1\n1.0\n-3.371987 3.371987 4.772599\n3.371987 -3.371987 4.772599\n3.371987 3.371987 -4.772599\nRb Hf\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hf"
],
"chemical_system": "Hf-Rb",
"density": 3.326941724921979,
"density_atomic": 0.018427790695118514,
"volume": 217.06345954209215,
"volume_molar": 32.6796676803761,
"formula_full": "Rb3 Hf1",
"formula_reduced": "Rb3Hf",
"formula_anonymous": "AB3",
"energy_above_hull": 0.93775575,
"spacegroup": 225
},
{
"id": "jvasp-37003",
"created_at": "2022-09-04T14:37:58.198151Z",
"updated_at": "2022-09-04T14:37:58.198177Z",
"structure_string": "Y1 C1\n1.0\n2.542232 2.542232 -0.000000\n2.542232 0.000000 -2.542232\n-0.000000 2.542232 -2.542232\nY C\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 5.099598135870357,
"density_atomic": 0.060863154367163344,
"volume": 32.86060377243662,
"volume_molar": 9.894559068810018,
"formula_full": "Y1 C1",
"formula_reduced": "YC",
"formula_anonymous": "AB",
"energy_above_hull": 2.8994077250000005,
"spacegroup": 225
},
{
"id": "jvasp-19633",
"created_at": "2022-09-04T14:37:58.225398Z",
"updated_at": "2022-09-04T14:37:58.225424Z",
"structure_string": "Lu2 Al4\n1.0\n4.751485 0.000000 2.743272\n1.583828 4.479743 2.743272\n-0.000000 -0.000000 5.486542\nLu Al\n2 4\ndirect\n0.875000 0.874999 0.875000 Lu\n0.125000 0.125000 0.125000 Lu\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Al"
],
"chemical_system": "Al-Lu",
"density": 6.510296641734207,
"density_atomic": 0.051377158378157504,
"volume": 116.78341483655977,
"volume_molar": 11.721436042987255,
"formula_full": "Lu2 Al4",
"formula_reduced": "LuAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.229587116666667,
"spacegroup": 227
},
{
"id": "jvasp-29280",
"created_at": "2022-09-04T14:37:58.257160Z",
"updated_at": "2022-09-04T14:37:58.257189Z",
"structure_string": "Sc4 H10\n1.0\n3.350929 -0.000000 0.000000\n-3.350929 5.759587 0.000000\n0.000000 -0.000000 6.050146\nSc H\n4 10\ndirect\n0.337621 0.837622 0.250000 Sc\n0.324875 0.324875 0.250000 Sc\n0.662379 0.662379 0.750000 Sc\n0.675126 0.175126 0.750000 Sc\n0.006607 0.506607 0.750000 H\n0.356730 0.856730 0.911323 H\n0.356730 0.856730 0.588678 H\n0.643271 0.643271 0.088678 H\n0.643271 0.643271 0.411323 H\n0.305847 0.305847 0.908937 H\n0.305847 0.305847 0.591064 H\n0.993393 0.993393 0.250000 H\n0.694153 0.194153 0.091063 H\n0.694153 0.194153 0.408937 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sc",
"H"
],
"chemical_system": "H-Sc",
"density": 2.700589712647307,
"density_atomic": 0.1198962533042988,
"volume": 116.76761878845166,
"volume_molar": 5.0227931182434045,
"formula_full": "Sc4 H10",
"formula_reduced": "Sc2H5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.867738642857143,
"spacegroup": 59
},
{
"id": "jvasp-29680",
"created_at": "2022-09-04T14:37:58.306945Z",
"updated_at": "2022-09-04T14:37:58.306967Z",
"structure_string": "Cd10 I20\n1.0\n4.287240 -0.000000 0.000000\n-2.143621 3.712859 -0.000000\n0.000000 0.000000 68.762433\nCd I\n10 20\ndirect\n0.666667 0.333333 0.325003 Cd\n-0.000000 -0.000000 0.824974 Cd\n-0.000000 -0.000000 0.625005 Cd\n0.666667 0.333333 0.424999 Cd\n-0.000000 -0.000000 0.525014 Cd\n0.666667 0.333333 0.925008 Cd\n0.666667 0.333333 0.225005 Cd\n0.666667 0.333333 0.024986 Cd\n-0.000000 -0.000000 0.724969 Cd\n0.666667 0.333333 0.125009 Cd\n0.333333 0.666667 0.050200 I\n0.333333 0.666667 0.150222 I\n0.666667 0.333333 0.499808 I\n0.333333 0.666667 0.250217 I\n0.333333 0.666667 0.850197 I\n0.333333 0.666667 0.550228 I\n-0.000000 -0.000000 0.999778 I\n0.666667 0.333333 0.599798 I\n-0.000000 -0.000000 0.899800 I\n-0.000000 -0.000000 0.299794 I\n-0.000000 -0.000000 0.199797 I\n-0.000000 -0.000000 0.399796 I\n0.666667 0.333333 0.699762 I\n0.333333 0.666667 0.650217 I\n0.333333 0.666667 0.950221 I\n0.333333 0.666667 0.350216 I\n0.333333 0.666667 0.450220 I\n-0.000000 -0.000000 0.099800 I\n0.666667 0.333333 0.799770 I\n0.333333 0.666667 0.750183 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.5558894682041,
"density_atomic": 0.027408405262768425,
"volume": 1094.5547437870089,
"volume_molar": 21.971875788703677,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00016,
"spacegroup": 156
},
{
"id": "jvasp-29627",
"created_at": "2022-09-04T14:37:58.319439Z",
"updated_at": "2022-09-04T14:37:58.319468Z",
"structure_string": "Cd5 I10\n1.0\n4.285241 0.000000 -0.000000\n-2.142621 3.711129 -0.000000\n-0.000000 -0.000000 34.380415\nCd I\n5 10\ndirect\n0.666667 0.333333 0.449991 Cd\n0.000000 0.000000 0.649995 Cd\n0.666667 0.333333 0.050001 Cd\n0.000000 0.000000 0.849949 Cd\n0.000000 0.000000 0.249974 Cd\n0.666667 0.333333 0.199559 I\n0.333333 0.666667 0.300453 I\n0.666667 0.333333 0.799529 I\n0.333333 0.666667 0.700454 I\n0.333333 0.666667 0.100473 I\n0.666667 0.333333 0.599568 I\n-0.000000 -0.000000 -0.000414 I\n0.333333 0.666667 0.900426 I\n0.000000 0.000000 0.399579 I\n0.333333 0.666667 0.500465 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.561202021738816,
"density_atomic": 0.02743461323920369,
"volume": 546.7545639960108,
"volume_molar": 21.950886303709368,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 156
},
{
"id": "jvasp-37960",
"created_at": "2022-09-04T14:37:58.330148Z",
"updated_at": "2022-09-04T14:37:58.330168Z",
"structure_string": "Ag3 P1\n1.0\n-2.039485 2.039485 4.159543\n2.039485 -2.039485 4.159543\n2.039485 2.039485 -4.159543\nAg P\n3 1\ndirect\n0.750002 0.250000 0.500001 Ag\n0.250000 0.750002 0.500001 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"P"
],
"chemical_system": "Ag-P",
"density": 8.507749345599542,
"density_atomic": 0.05779807187185776,
"volume": 69.20646088105276,
"volume_molar": 10.419276223178333,
"formula_full": "Ag3 P1",
"formula_reduced": "Ag3P",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59012182,
"spacegroup": 139
},
{
"id": "jvasp-39022",
"created_at": "2022-09-04T14:37:58.343316Z",
"updated_at": "2022-09-04T14:37:58.343340Z",
"structure_string": "Sm3 V1\n1.0\n-0.000000 3.741780 3.741780\n3.741780 0.000000 3.741780\n3.741780 3.741780 -0.000000\nSm V\n3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"V"
],
"chemical_system": "Sm-V",
"density": 7.956217936717918,
"density_atomic": 0.038176424195943755,
"volume": 104.77670667817549,
"volume_molar": 15.77450189963012,
"formula_full": "Sm3 V1",
"formula_reduced": "Sm3V",
"formula_anonymous": "AB3",
"energy_above_hull": 2.35625520625,
"spacegroup": 225
},
{
"id": "jvasp-20292",
"created_at": "2022-09-04T14:37:58.363146Z",
"updated_at": "2022-09-04T14:37:58.363159Z",
"structure_string": "Nd6 F18\n1.0\n3.525382 -6.106141 0.000000\n3.525382 6.106141 -0.000000\n0.000000 -0.000000 7.246496\nNd F\n6 18\ndirect\n0.343898 -0.000000 0.250000 Nd\n-0.000000 0.343898 0.250000 Nd\n0.656101 0.656101 0.250000 Nd\n0.656101 -0.000000 0.750000 Nd\n-0.000000 0.656101 0.750000 Nd\n0.343898 0.343898 0.750000 Nd\n0.628891 0.690191 0.919085 F\n0.371108 0.061300 0.580916 F\n0.938700 0.309808 0.580916 F\n0.690191 0.628891 0.580916 F\n0.938700 0.628891 0.080916 F\n0.690191 0.061300 0.080916 F\n0.371108 0.309808 0.080916 F\n0.628891 0.938700 0.419084 F\n0.333333 0.666667 0.679920 F\n0.309808 0.371108 0.419084 F\n0.309808 0.938700 0.919085 F\n0.666667 0.333333 0.820081 F\n0.666667 0.333333 0.320081 F\n0.333333 0.666667 0.179919 F\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n0.061300 0.690191 0.419084 F\n0.061300 0.371108 0.919085 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nd",
"F"
],
"chemical_system": "F-Nd",
"density": 6.42654526328962,
"density_atomic": 0.0769272447502985,
"volume": 311.9830962086664,
"volume_molar": 7.828358833788381,
"formula_full": "Nd6 F18",
"formula_reduced": "NdF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 165
},
{
"id": "jvasp-33820",
"created_at": "2022-09-04T14:37:58.368292Z",
"updated_at": "2022-09-04T14:37:58.368323Z",
"structure_string": "Dy2 I6\n1.0\n10.480601 0.000000 0.000000\n-5.240301 9.076466 -0.000000\n-0.000000 -0.000000 3.986331\nDy I\n2 6\ndirect\n0.333332 0.666667 0.749999 Dy\n0.666666 0.333333 0.249998 Dy\n0.206417 0.412836 0.249998 I\n0.587164 0.793582 0.249998 I\n0.206417 0.793582 0.249998 I\n0.793582 0.587164 0.749999 I\n0.412837 0.206418 0.749999 I\n0.793583 0.206418 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"I"
],
"chemical_system": "Dy-I",
"density": 4.757439192655067,
"density_atomic": 0.021096657746509154,
"volume": 379.2069860603276,
"volume_molar": 28.545473090383133,
"formula_full": "Dy2 I6",
"formula_reduced": "DyI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}