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=created_at&page=3485",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3483",
"results": [
{
"id": "jvasp-44656",
"created_at": "2022-09-04T14:38:10.391863Z",
"updated_at": "2022-09-04T14:38:10.391882Z",
"structure_string": "Li1 V3 Co1 O10\n1.0\n6.572359 0.037419 0.122552\n0.037419 6.572359 -0.122552\n0.086819 -0.086819 4.448165\nLi V Co O\n1 3 1 10\ndirect\n0.502957 0.002957 -0.000000 Li\n0.249673 0.749673 0.500000 V\n0.249903 0.250219 0.622964 V\n0.750219 0.749903 0.377035 V\n0.751313 0.251313 0.499999 Co\n0.032505 0.756649 0.293644 O\n0.271087 0.225842 0.257404 O\n0.256649 0.532505 0.706355 O\n0.259340 0.962446 0.740289 O\n0.462446 0.759340 0.259710 O\n0.525511 0.239282 0.738325 O\n0.739282 0.025511 0.261674 O\n0.744874 0.478402 0.290314 O\n0.725843 0.771087 0.742595 O\n0.978402 0.244874 0.709684 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 3.2752518597034186,
"density_atomic": 0.078126781916411,
"volume": 191.99562086211003,
"volume_molar": 7.708164360901462,
"formula_full": "Li1 V3 Co1 O10",
"formula_reduced": "LiV3CoO10",
"formula_anonymous": "ABC3D10",
"energy_above_hull": 3.272853233333333,
"spacegroup": 5
},
{
"id": "jvasp-37137",
"created_at": "2022-09-04T14:38:10.391910Z",
"updated_at": "2022-09-04T14:38:10.391922Z",
"structure_string": "Nd2 Au2\n1.0\n-3.905207 0.000000 0.000000\n0.000000 0.000000 -4.757646\n-1.952603 -5.636894 0.000000\nNd Au\n2 2\ndirect\n0.136686 0.750001 0.726626 Nd\n0.863314 0.250000 0.273373 Nd\n0.411315 0.750001 0.177370 Au\n0.588686 0.250000 0.822629 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 10.819893118039843,
"density_atomic": 0.03819301465873136,
"volume": 104.73119327556287,
"volume_molar": 15.76764969670513,
"formula_full": "Nd2 Au2",
"formula_reduced": "NdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.250449535,
"spacegroup": 63
},
{
"id": "jvasp-108922",
"created_at": "2022-09-04T14:38:10.405006Z",
"updated_at": "2022-09-04T14:38:10.405037Z",
"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sm-Sr",
"density": 6.848165013618505,
"density_atomic": 0.08004089480933838,
"volume": 87.45529415524862,
"volume_molar": 7.523829880144465,
"formula_full": "Sr1 Sm1 Ni1 O4",
"formula_reduced": "SrSmNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5255873692857147,
"spacegroup": 107
},
{
"id": "jvasp-44733",
"created_at": "2022-09-04T14:38:10.409339Z",
"updated_at": "2022-09-04T14:38:10.409370Z",
"structure_string": "Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.128566399662972,
"density_atomic": 0.10103300660586069,
"volume": 217.75062169360237,
"volume_molar": 5.960567701892651,
"formula_full": "Li4 V4 Co2 O12",
"formula_reduced": "Li2V2CoO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.870064572727273,
"spacegroup": 64
},
{
"id": "jvasp-45989",
"created_at": "2022-09-04T14:38:10.409570Z",
"updated_at": "2022-09-04T14:38:10.409590Z",
"structure_string": "Dy2 Nb2 O8\n1.0\n4.014579 -0.006461 0.002900\n-1.997226 6.798755 0.013097\n-0.011010 -2.042973 6.911851\nDy Nb O\n2 2 8\ndirect\n0.799896 0.607671 0.211412 Dy\n0.190638 0.389638 0.788014 Dy\n0.897498 0.802760 0.793936 Nb\n0.092905 0.194551 0.205478 Nb\n0.945841 0.899967 0.131231 O\n0.861855 0.732547 0.527047 O\n0.236333 0.480633 0.138505 O\n0.371706 0.751738 0.810341 O\n0.618823 0.245553 0.189053 O\n0.754206 0.516681 0.860919 O\n0.128764 0.264839 0.472372 O\n0.044709 0.097343 0.868194 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-Nb-O",
"density": 5.62193674281394,
"density_atomic": 0.06359863346864007,
"volume": 188.68329939694527,
"volume_molar": 9.468978233580229,
"formula_full": "Dy2 Nb2 O8",
"formula_reduced": "DyNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.522743316666667,
"spacegroup": 12
},
{
"id": "jvasp-37078",
"created_at": "2022-09-04T14:38:10.410194Z",
"updated_at": "2022-09-04T14:38:10.410210Z",
"structure_string": "Ta1 In1 Se2\n1.0\n1.725228 -2.988183 -0.000000\n1.725228 2.988183 -0.000000\n0.000000 0.000000 9.479849\nTa In Se\n1 1 2\ndirect\n0.333334 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.676922 Se\n0.000000 0.000000 0.323079 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"In",
"Se"
],
"chemical_system": "In-Se-Ta",
"density": 7.7076015671857965,
"density_atomic": 0.040923699521466204,
"volume": 97.74287385483885,
"volume_molar": 14.715533616019083,
"formula_full": "Ta1 In1 Se2",
"formula_reduced": "TaInSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.082583975833333,
"spacegroup": 187
},
{
"id": "jvasp-55692",
"created_at": "2022-09-04T14:38:10.412568Z",
"updated_at": "2022-09-04T14:38:10.412606Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.330199 0.000944 7.991785\n2.421303 4.748507 7.991785\n0.001541 0.000944 9.606230\nK Li Al H\n4 2 2 12\ndirect\n0.714264 0.714263 0.714264 K\n0.872789 0.872789 0.872789 K\n0.127211 0.127210 0.127211 K\n0.285736 0.285736 0.285736 K\n0.592941 0.592940 0.592941 Li\n0.407059 0.407059 0.407059 Li\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.830823 0.393727 0.393727 H\n0.169177 0.606272 0.606272 H\n0.189779 0.189778 0.732799 H\n0.393727 0.830822 0.393727 H\n0.393728 0.393727 0.830822 H\n0.810222 0.267200 0.810222 H\n0.810221 0.810221 0.267201 H\n0.267201 0.810221 0.810222 H\n0.732799 0.189778 0.189778 H\n0.189778 0.732799 0.189778 H\n0.606273 0.169177 0.606273 H\n0.606272 0.606272 0.169177 H\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-K-Li",
"density": 1.6147448025977373,
"density_atomic": 0.08229233809444365,
"volume": 243.03599172315157,
"volume_molar": 7.317984759515069,
"formula_full": "K4 Li2 Al2 H12",
"formula_reduced": "K2LiAlH6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.87318888,
"spacegroup": 166
},
{
"id": "jvasp-14763",
"created_at": "2022-09-04T14:38:10.418114Z",
"updated_at": "2022-09-04T14:38:10.418152Z",
"structure_string": "Fe4 N1\n1.0\n3.761655 -0.000000 0.000000\n0.000000 3.761655 0.000000\n0.000000 -0.000000 3.761655\nFe N\n4 1\ndirect\n0.000000 0.500001 0.500001 Fe\n0.500001 0.500001 0.000000 Fe\n0.500001 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500001 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.405742295608442,
"density_atomic": 0.09393622842360551,
"volume": 53.227600084735094,
"volume_molar": 6.410882000545254,
"formula_full": "Fe4 N1",
"formula_reduced": "Fe4N",
"formula_anonymous": "AB4",
"energy_above_hull": 4.00825305,
"spacegroup": 221
},
{
"id": "jvasp-43057",
"created_at": "2022-09-04T14:38:10.420861Z",
"updated_at": "2022-09-04T14:38:10.420882Z",
"structure_string": "Li1 Co2 Ni1 O6\n1.0\n-2.822841 0.037408 -0.021126\n-0.078253 -5.773354 0.118621\n1.388443 1.525823 5.885003\nLi Co Ni O\n1 2 1 6\ndirect\n0.666650 0.833325 0.333329 Li\n0.338916 0.655460 0.677793 Co\n0.994419 0.011206 0.988874 Co\n0.666669 0.333336 0.333331 Ni\n0.178409 0.560130 0.356884 O\n0.154934 0.106542 0.309783 O\n0.837553 0.876805 0.675215 O\n0.828064 0.439559 0.655968 O\n0.495777 0.789861 0.991453 O\n0.505272 0.227106 0.010697 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.820636647550929,
"density_atomic": 0.10386706375974136,
"volume": 96.27691048561226,
"volume_molar": 5.79793106882277,
"formula_full": "Li1 Co2 Ni1 O6",
"formula_reduced": "LiCo2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6023955200000004,
"spacegroup": 12
},
{
"id": "jvasp-17975",
"created_at": "2022-09-04T14:38:10.431222Z",
"updated_at": "2022-09-04T14:38:10.431255Z",
"structure_string": "Fe2 Ge4\n1.0\n4.695467 -0.008763 -1.278279\n-2.743725 3.810441 -1.278279\n0.004498 0.008763 4.866352\nFe Ge\n2 4\ndirect\n0.250000 0.250000 0.000000 Fe\n0.750001 0.750000 0.000000 Fe\n0.656403 0.156402 0.812805 Ge\n0.156403 0.343597 0.500000 Ge\n0.843599 0.656403 0.500000 Ge\n0.343599 0.843597 0.187195 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge",
"density": 7.672661269986913,
"density_atomic": 0.06892108816054092,
"volume": 87.05608341562943,
"volume_molar": 8.7377331390537,
"formula_full": "Fe2 Ge4",
"formula_reduced": "FeGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4825224666666663,
"spacegroup": 140
},
{
"id": "jvasp-17917",
"created_at": "2022-09-04T14:38:10.433307Z",
"updated_at": "2022-09-04T14:38:10.433335Z",
"structure_string": "Li3 Ca3 Pb3\n1.0\n2.462824 -4.265736 0.000000\n2.462824 4.265736 0.000000\n-0.000000 -0.000000 10.889958\nLi Ca Pb\n3 3 3\ndirect\n0.666666 0.333332 0.806791 Li\n0.333332 0.666666 0.500000 Li\n0.666666 0.333332 0.193209 Li\n0.000000 0.000000 0.333300 Ca\n0.000000 0.000000 0.666700 Ca\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.155924 Pb\n0.333332 0.666666 0.844076 Pb\n0.666666 0.333332 0.500000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 5.534709188264382,
"density_atomic": 0.039333170780600814,
"volume": 228.81450494295808,
"volume_molar": 15.310590629957883,
"formula_full": "Li3 Ca3 Pb3",
"formula_reduced": "LiCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0328218033333334,
"spacegroup": 187
},
{
"id": "jvasp-18381",
"created_at": "2022-09-04T14:38:10.433353Z",
"updated_at": "2022-09-04T14:38:10.433371Z",
"structure_string": "Nd1 H2\n1.0\n3.367214 -0.000000 1.944062\n1.122404 3.174641 1.944062\n-0.000000 0.000000 3.888124\nNd H\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749998 0.750000 0.749999 H\n0.249999 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nd",
"H"
],
"chemical_system": "H-Nd",
"density": 5.843363794143405,
"density_atomic": 0.07217982229548249,
"volume": 41.562862093493415,
"volume_molar": 8.343246863849522,
"formula_full": "Nd1 H2",
"formula_reduced": "NdH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.780117166666667,
"spacegroup": 225
}
]
}