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=-volume_molar&page=444",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=442",
"results": [
{
"id": "jvasp-107573",
"created_at": "2022-09-04T14:36:55.985908Z",
"updated_at": "2022-09-04T14:36:55.985938Z",
"structure_string": "Cd2 Ga1 Cu1 Te4\n1.0\n5.786796 0.039439 -5.236262\n-1.113631 5.678767 -5.236262\n-0.032231 -0.039439 7.804128\nCd Ga Cu Te\n2 1 1 4\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.642018 0.642018 0.509681 Te\n0.357983 0.867664 0.000001 Te\n0.132337 0.132337 0.490320 Te\n0.867664 0.357983 0.000001 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Te"
],
"chemical_system": "Cd-Cu-Ga-Te",
"density": 5.6683415586154595,
"density_atomic": 0.031443550483343276,
"volume": 254.42419437454666,
"volume_molar": 19.152228890914003,
"formula_full": "Cd2 Ga1 Cu1 Te4",
"formula_reduced": "Cd2GaCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0,
"spacegroup": 121
},
{
"id": "jvasp-111360",
"created_at": "2022-09-04T14:38:49.562520Z",
"updated_at": "2022-09-04T14:38:49.562536Z",
"structure_string": "La1 U1 Te6\n1.0\n13.086745 0.011129 0.000000\n-12.341883 4.352120 0.000000\n-0.000000 -0.000000 4.456270\nLa U Te\n1 1 6\ndirect\n0.831194 0.168806 -0.000000 La\n0.166231 0.833770 0.500000 U\n0.574760 0.425241 0.500000 Te\n0.430171 0.569830 -0.000000 Te\n0.291659 0.708342 0.500000 Te\n0.700705 0.299295 -0.000000 Te\n0.930430 0.069571 0.500000 Te\n0.074854 0.925147 -0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.457071265218762,
"density_atomic": 0.03144415336159443,
"volume": 254.41931630352366,
"volume_molar": 19.15186168553478,
"formula_full": "La1 U1 Te6",
"formula_reduced": "LaUTe6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.8328647,
"spacegroup": 38
},
{
"id": "jvasp-65767",
"created_at": "2022-09-04T14:36:22.314424Z",
"updated_at": "2022-09-04T14:36:22.314449Z",
"structure_string": "Ba1 Na2 Si1\n1.0\n4.189555 0.000000 -0.000000\n-0.000000 4.189555 -0.000000\n0.000000 0.000000 7.246978\nBa Na Si\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ba\n0.000000 0.000000 0.813515 Na\n0.000000 0.000000 0.186486 Na\n0.499999 0.499999 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Si"
],
"chemical_system": "Ba-Na-Si",
"density": 2.759592710763859,
"density_atomic": 0.03144613366414187,
"volume": 127.20164719522305,
"volume_molar": 19.15065560783731,
"formula_full": "Ba1 Na2 Si1",
"formula_reduced": "BaNa2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4132831424999999,
"spacegroup": 123
},
{
"id": "jvasp-65795",
"created_at": "2022-09-04T14:35:50.295488Z",
"updated_at": "2022-09-04T14:35:50.295510Z",
"structure_string": "Ba1 Na2 Si1\n1.0\n4.189362 -0.000000 -0.000000\n-0.000000 4.189362 -0.000000\n0.000000 0.000000 7.247506\nBa Na Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.186454 Na\n0.000000 0.000000 0.813546 Na\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Si"
],
"chemical_system": "Ba-Na-Si",
"density": 2.7596459181861723,
"density_atomic": 0.03144673997380034,
"volume": 127.19919468067518,
"volume_molar": 19.150286373141732,
"formula_full": "Ba1 Na2 Si1",
"formula_reduced": "BaNa2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4132856424999999,
"spacegroup": 123
},
{
"id": "jvasp-13112",
"created_at": "2022-09-04T14:37:07.375093Z",
"updated_at": "2022-09-04T14:37:07.375121Z",
"structure_string": "Ca8 Pb4\n1.0\n5.144765 0.000000 0.000000\n0.000000 7.755039 0.000000\n0.000000 0.000000 9.564276\nCa Pb\n8 4\ndirect\n0.749999 0.334161 0.072517 Ca\n0.250000 0.665839 0.927483 Ca\n0.749999 0.834162 0.427483 Ca\n0.250000 0.165839 0.572517 Ca\n0.749999 0.479843 0.691833 Ca\n0.250000 0.520157 0.308168 Ca\n0.749999 0.979843 0.808168 Ca\n0.250000 0.020157 0.191832 Ca\n0.749999 0.753907 0.104392 Pb\n0.250000 0.246093 0.895608 Pb\n0.749999 0.253907 0.395608 Pb\n0.250000 0.746093 0.604392 Pb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb",
"density": 5.001816212740626,
"density_atomic": 0.03144702873701981,
"volume": 381.5940800115548,
"volume_molar": 19.15011052510238,
"formula_full": "Ca8 Pb4",
"formula_reduced": "Ca2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-101115",
"created_at": "2022-09-04T14:36:58.816296Z",
"updated_at": "2022-09-04T14:36:58.816327Z",
"structure_string": "Sr5 Zn1 Cd4\n1.0\n3.986586 -0.000000 0.000000\n0.000000 3.986586 0.000000\n-0.000000 -0.000000 20.005657\nSr Zn Cd\n5 1 4\ndirect\n0.500001 0.500001 0.094736 Sr\n0.500001 0.500001 0.297560 Sr\n0.500001 0.500001 0.500000 Sr\n0.500001 0.500001 0.702440 Sr\n0.500001 0.500001 0.905264 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.196536 Cd\n0.000000 0.000000 0.398700 Cd\n0.000000 0.000000 0.601301 Cd\n0.000000 0.000000 0.803464 Cd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Cd"
],
"chemical_system": "Cd-Sr-Zn",
"density": 4.97801984436131,
"density_atomic": 0.031451756663596474,
"volume": 317.9472646618305,
"volume_molar": 19.147231820505173,
"formula_full": "Sr5 Zn1 Cd4",
"formula_reduced": "Sr5ZnCd4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-38737",
"created_at": "2022-09-04T14:37:59.993438Z",
"updated_at": "2022-09-04T14:37:59.993456Z",
"structure_string": "Pm5 Mg1\n1.0\n3.652944 -0.000000 0.000000\n1.826472 9.070922 0.000000\n0.000000 0.000000 5.757153\nPm Mg\n5 1\ndirect\n0.993989 0.012021 0.000000 Pm\n0.325517 0.348961 0.000000 Pm\n0.665087 0.669824 0.000000 Pm\n0.446186 0.107624 0.500000 Pm\n0.120636 0.758724 0.500000 Pm\n0.781911 0.436176 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Mg"
],
"chemical_system": "Mg-Pm",
"density": 6.522371172147801,
"density_atomic": 0.03145205541232004,
"volume": 190.766546775501,
"volume_molar": 19.14704994968652,
"formula_full": "Pm5 Mg1",
"formula_reduced": "Pm5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 1.3738081361111112,
"spacegroup": 38
},
{
"id": "jvasp-7841",
"created_at": "2022-09-04T14:37:02.685271Z",
"updated_at": "2022-09-04T14:37:02.685285Z",
"structure_string": "La3 Sn1\n1.0\n5.028823 0.000000 -0.000000\n-0.000000 5.028823 -0.000000\n0.000000 -0.000000 5.028823\nLa Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Sn"
],
"chemical_system": "La-Sn",
"density": 6.9911695785061605,
"density_atomic": 0.03145291790395132,
"volume": 127.17421042508408,
"volume_molar": 19.146524905542897,
"formula_full": "La3 Sn1",
"formula_reduced": "La3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.389639175,
"spacegroup": 221
},
{
"id": "jvasp-117863",
"created_at": "2022-09-04T14:38:26.044453Z",
"updated_at": "2022-09-04T14:38:26.044479Z",
"structure_string": "Pb1 Br2\n1.0\n5.570105 -0.000000 0.000000\n-2.785052 4.823852 -0.000000\n-0.000000 0.000000 3.549395\nPb Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.000000 Br\n0.666667 0.333334 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.390177747750127,
"density_atomic": 0.03145643955309131,
"volume": 95.3699796487356,
"volume_molar": 19.14438139076737,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.17969,
"spacegroup": 191
},
{
"id": "jvasp-88569",
"created_at": "2022-09-04T14:36:10.538758Z",
"updated_at": "2022-09-04T14:36:10.538789Z",
"structure_string": "Y6 Ru2 I6\n1.0\n4.208640 0.000000 0.000000\n0.000000 8.722528 -0.710700\n0.000000 0.016698 12.121145\nY Ru I\n6 2 6\ndirect\n0.750000 0.868877 0.126101 Y\n0.250000 0.131124 0.873900 Y\n0.750000 0.896151 0.678114 Y\n0.250000 0.103849 0.321886 Y\n0.250000 0.731707 0.892955 Y\n0.750000 0.268293 0.107046 Y\n0.750000 0.940352 0.903792 Ru\n0.250000 0.059649 0.096208 Ru\n0.250000 0.637011 0.629626 I\n0.750000 0.362989 0.370374 I\n0.750000 0.854205 0.392566 I\n0.250000 0.145795 0.607434 I\n0.250000 0.576234 0.135991 I\n0.750000 0.423766 0.864010 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ru",
"I"
],
"chemical_system": "I-Ru-Y",
"density": 5.585922592515428,
"density_atomic": 0.03145947668090087,
"volume": 445.0169385207681,
"volume_molar": 19.142533173973796,
"formula_full": "Y6 Ru2 I6",
"formula_reduced": "Y3RuI3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.846135096428572,
"spacegroup": 11
},
{
"id": "jvasp-109319",
"created_at": "2022-09-04T14:38:19.273454Z",
"updated_at": "2022-09-04T14:38:19.273480Z",
"structure_string": "Yb4 Mg2\n1.0\n6.183083 -0.014830 0.000000\n-3.138630 5.327263 0.000000\n-0.000000 -0.000000 5.797914\nYb Mg\n4 2\ndirect\n0.657205 0.977817 0.250000 Yb\n0.022182 0.342794 0.750000 Yb\n0.977817 0.657205 0.250000 Yb\n0.342794 0.022182 0.750000 Yb\n0.669362 0.669362 0.750000 Mg\n0.330637 0.330637 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 6.450087915550639,
"density_atomic": 0.031461860514257624,
"volume": 190.70709430171715,
"volume_molar": 19.14108276359224,
"formula_full": "Yb4 Mg2",
"formula_reduced": "Yb2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1445685714285714,
"spacegroup": 63
},
{
"id": "jvasp-103195",
"created_at": "2022-09-04T14:38:39.613463Z",
"updated_at": "2022-09-04T14:38:39.613496Z",
"structure_string": "Rb2 Pr1 Ag1 Cl6\n1.0\n6.633771 0.000000 3.830010\n2.211257 6.254379 3.830010\n0.000000 -0.000000 7.660019\nRb Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751936 0.248064 0.248064 Cl\n0.248064 0.248064 0.751936 Cl\n0.248065 0.751936 0.751936 Cl\n0.248065 0.751936 0.248064 Cl\n0.751936 0.248064 0.751936 Cl\n0.751936 0.751936 0.248064 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Pr-Rb",
"density": 3.304354744480003,
"density_atomic": 0.03146483674836644,
"volume": 317.81509244662357,
"volume_molar": 19.1392722236598,
"formula_full": "Rb2 Pr1 Ag1 Cl6",
"formula_reduced": "Rb2PrAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}