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=1133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1131",
"results": [
{
"id": "jvasp-102672",
"created_at": "2022-09-04T14:36:54.648258Z",
"updated_at": "2022-09-04T14:36:54.648284Z",
"structure_string": "Sr1 Zn1 In3\n1.0\n4.407095 0.000761 -5.329168\n-0.570334 4.370035 -5.329168\n-0.000668 -0.000761 6.915383\nSr Zn In\n1 1 3\ndirect\n0.005251 0.005251 0.000000 Sr\n0.614008 0.614007 0.000001 Zn\n0.741696 0.241696 0.500000 In\n0.241696 0.741696 0.500001 In\n0.397353 0.397352 0.000001 In\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"In"
],
"chemical_system": "In-Sr-Zn",
"density": 6.204125085057433,
"density_atomic": 0.037551147041983736,
"volume": 133.15172488365783,
"volume_molar": 16.037168593723646,
"formula_full": "Sr1 Zn1 In3",
"formula_reduced": "SrZnIn3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-105446",
"created_at": "2022-09-04T14:36:54.653992Z",
"updated_at": "2022-09-04T14:36:54.654005Z",
"structure_string": "Mn4 Hg3 Au1\n1.0\n3.315244 -0.000000 0.000000\n0.000000 4.615168 0.000000\n-0.000000 -0.000000 9.244378\nMn Hg Au\n4 3 1\ndirect\n0.499999 0.500000 0.134932 Mn\n0.499999 0.500000 0.614655 Mn\n0.499999 0.000000 0.375156 Mn\n0.499999 0.000000 0.875231 Mn\n-0.000000 0.500000 0.874824 Hg\n0.000000 0.000000 0.125619 Hg\n0.000000 0.000000 0.624752 Hg\n-0.000000 0.500000 0.374831 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Mn",
"density": 11.95706597355637,
"density_atomic": 0.05655998416473192,
"volume": 141.44275530028196,
"volume_molar": 10.647352273756676,
"formula_full": "Mn4 Hg3 Au1",
"formula_reduced": "Mn4Hg3Au",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.8469350419396549,
"spacegroup": 47
},
{
"id": "jvasp-107686",
"created_at": "2022-09-04T14:36:54.683227Z",
"updated_at": "2022-09-04T14:36:54.683244Z",
"structure_string": "Pm2 Mg1 Ru1\n1.0\n4.436191 -0.000000 2.561236\n1.478730 4.182481 2.561236\n-0.000000 -0.000000 5.122472\nPm Mg Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750001 Pm\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Mg",
"Ru"
],
"chemical_system": "Mg-Pm-Ru",
"density": 7.257142408495068,
"density_atomic": 0.04208585794949212,
"volume": 95.04380318919625,
"volume_molar": 14.309179029276919,
"formula_full": "Pm2 Mg1 Ru1",
"formula_reduced": "Pm2MgRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6692954750000002,
"spacegroup": 225
},
{
"id": "jvasp-2250",
"created_at": "2022-09-04T14:36:54.688339Z",
"updated_at": "2022-09-04T14:36:54.688369Z",
"structure_string": "Tb2 Ag2 Te4\n1.0\n7.101504 0.000000 0.000000\n0.000000 7.101504 0.000000\n0.000000 0.000000 4.707073\nTb Ag Te\n2 2 4\ndirect\n0.500000 0.000000 0.186578 Tb\n0.000000 0.500000 0.813421 Tb\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.202841 0.297159 0.295320 Te\n0.702840 0.202841 0.704679 Te\n0.797159 0.702840 0.295320 Te\n0.297159 0.797159 0.704679 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Te"
],
"chemical_system": "Ag-Tb-Te",
"density": 7.3028540996297195,
"density_atomic": 0.03370065806591777,
"volume": 237.3840885941209,
"volume_molar": 17.869504946226332,
"formula_full": "Tb2 Ag2 Te4",
"formula_reduced": "TbAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5118952983333334,
"spacegroup": 113
},
{
"id": "jvasp-15524",
"created_at": "2022-09-04T14:36:54.690920Z",
"updated_at": "2022-09-04T14:36:54.690944Z",
"structure_string": "Nb1 Al1 Co2\n1.0\n3.655241 -0.000000 2.110354\n1.218414 3.446194 2.110354\n-0.000000 -0.000000 4.220709\nNb Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500000 Al\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.750000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Co"
],
"chemical_system": "Al-Co-Nb",
"density": 7.425681960731589,
"density_atomic": 0.07523481241672386,
"volume": 53.166876762370244,
"volume_molar": 8.004460390814167,
"formula_full": "Nb1 Al1 Co2",
"formula_reduced": "NbAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3283810000000003,
"spacegroup": 225
},
{
"id": "jvasp-12057",
"created_at": "2022-09-04T14:36:54.706162Z",
"updated_at": "2022-09-04T14:36:54.706183Z",
"structure_string": "Zr1 Ti1 Te4\n1.0\n3.889366 0.000000 0.000000\n0.000000 6.660041 -0.003141\n0.000000 0.002984 6.748742\nZr Ti Te\n1 1 4\ndirect\n0.500000 -0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.741658 0.843549 Te\n0.500000 0.258342 0.156451 Te\n0.000000 0.731944 0.323297 Te\n0.000000 0.268055 0.676703 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Te"
],
"chemical_system": "Te-Ti-Zr",
"density": 6.169409566325359,
"density_atomic": 0.03432200245485265,
"volume": 174.81497496809612,
"volume_molar": 17.546006436895855,
"formula_full": "Zr1 Ti1 Te4",
"formula_reduced": "ZrTiTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.045522316666667,
"spacegroup": 10
},
{
"id": "jvasp-15724",
"created_at": "2022-09-04T14:36:55.982119Z",
"updated_at": "2022-09-04T14:36:55.982139Z",
"structure_string": "Sr1 Nb1 O3\n1.0\n4.084495 -0.000000 0.000000\n-0.000000 4.084495 -0.000000\n0.000000 -0.000000 4.084495\nSr Nb O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr",
"density": 5.568867830532248,
"density_atomic": 0.07337614614780283,
"volume": 68.14203610432762,
"volume_molar": 8.207218661865259,
"formula_full": "Sr1 Nb1 O3",
"formula_reduced": "SrNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.987599242,
"spacegroup": 221
},
{
"id": "jvasp-3486",
"created_at": "2022-09-04T14:36:54.707818Z",
"updated_at": "2022-09-04T14:36:54.707836Z",
"structure_string": "Cd1 In2 Te4\n1.0\n5.779153 0.000001 -2.586017\n-1.157174 5.662116 -2.586016\n-0.007075 -0.008669 7.734736\nCd In Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 In\n0.250000 0.750000 0.500000 In\n0.417720 0.362809 0.277151 Te\n0.085658 0.582280 0.722849 Te\n0.637190 0.140569 0.722848 Te\n0.859431 0.914343 0.277151 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Te"
],
"chemical_system": "Cd-In-Te",
"density": 5.598514796608693,
"density_atomic": 0.027685628449205715,
"volume": 252.83876119491975,
"volume_molar": 21.75186584999761,
"formula_full": "Cd1 In2 Te4",
"formula_reduced": "Cd(InTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0747958223809523,
"spacegroup": 82
},
{
"id": "jvasp-2256",
"created_at": "2022-09-04T14:36:54.714596Z",
"updated_at": "2022-09-04T14:36:54.714620Z",
"structure_string": "Zn2 Si2 As4\n1.0\n5.157559 0.000000 -2.360607\n-1.080446 5.043118 -2.360607\n0.008168 0.010104 6.832381\nZn Si As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.250000 0.499999 Si\n0.863066 0.875000 0.249999 As\n0.625000 0.136933 0.749999 As\n0.125000 0.613066 0.749999 As\n0.386933 0.375000 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Si",
"As"
],
"chemical_system": "As-Si-Zn",
"density": 4.541217019027277,
"density_atomic": 0.044954560053359086,
"volume": 177.95747507047898,
"volume_molar": 13.396062052107691,
"formula_full": "Zn2 Si2 As4",
"formula_reduced": "ZnSiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4996356249999998,
"spacegroup": 122
},
{
"id": "jvasp-18569",
"created_at": "2022-09-04T14:36:54.719439Z",
"updated_at": "2022-09-04T14:36:54.719448Z",
"structure_string": "Pr1 Al3 Ni2\n1.0\n2.696221 -4.669990 0.000000\n2.696221 4.669990 0.000000\n-0.000000 0.000000 4.015827\nPr Al Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Pr\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pr",
"density": 5.570299254330127,
"density_atomic": 0.05933006468589009,
"volume": 101.12916666728198,
"volume_molar": 10.150234610197867,
"formula_full": "Pr1 Al3 Ni2",
"formula_reduced": "PrAl3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.528577175,
"spacegroup": 191
},
{
"id": "jvasp-42352",
"created_at": "2022-09-04T14:36:54.725227Z",
"updated_at": "2022-09-04T14:36:54.725254Z",
"structure_string": "Hf4 Cr4 O16\n1.0\n4.668257 0.000000 0.000000\n-0.000000 4.877484 0.000000\n0.000000 0.000000 11.606935\nHf Cr O\n4 4 16\ndirect\n0.000000 0.749999 0.172388 Hf\n0.000000 0.250000 0.827612 Hf\n0.500000 0.749999 0.672388 Hf\n0.500000 0.250000 0.327612 Hf\n0.000000 0.749999 0.435093 Cr\n0.000000 0.250000 0.564908 Cr\n0.500000 0.250000 0.064908 Cr\n0.500000 0.749999 0.935093 Cr\n0.272013 0.428964 0.946627 O\n0.272013 0.928964 0.053374 O\n0.227987 0.928964 0.553374 O\n0.227987 0.428964 0.446626 O\n0.276467 0.911375 0.815288 O\n0.276467 0.411375 0.184713 O\n0.723534 0.588624 0.815288 O\n0.727988 0.071036 0.946627 O\n0.772013 0.571035 0.553374 O\n0.772013 0.071036 0.446626 O\n0.223533 0.411375 0.684713 O\n0.727988 0.571035 0.053374 O\n0.776467 0.088625 0.684713 O\n0.776467 0.588624 0.315287 O\n0.723534 0.088625 0.184713 O\n0.223533 0.911375 0.315287 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Cr",
"O"
],
"chemical_system": "Cr-Hf-O",
"density": 7.401200798773772,
"density_atomic": 0.09081196620113692,
"volume": 264.28235180860486,
"volume_molar": 6.631439679063579,
"formula_full": "Hf4 Cr4 O16",
"formula_reduced": "HfCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.201440733333334,
"spacegroup": 60
},
{
"id": "jvasp-19062",
"created_at": "2022-09-04T14:36:54.741750Z",
"updated_at": "2022-09-04T14:36:54.741776Z",
"structure_string": "Sr4 Zr4 O12\n1.0\n5.839405 -0.032289 -0.000000\n-0.034548 5.839392 0.000000\n-0.000000 0.000000 8.279063\nSr Zr O\n4 4 12\ndirect\n0.506544 0.493456 0.250000 Sr\n0.493457 0.506543 0.750000 Sr\n0.011980 0.988019 0.250000 Sr\n0.988020 0.011980 0.750000 Sr\n-0.000000 0.500000 0.500000 Zr\n0.500000 -0.000000 0.500000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.292043 0.292043 0.500000 O\n0.707957 0.707956 0.000000 O\n0.957479 0.448182 0.750000 O\n0.211186 0.788814 0.954891 O\n0.788815 0.211186 0.454892 O\n0.788815 0.211186 0.045108 O\n0.211186 0.788814 0.545108 O\n0.551818 0.042522 0.750000 O\n0.448183 0.957478 0.250000 O\n0.042521 0.551817 0.250000 O\n0.292043 0.292043 0.000000 O\n0.707957 0.707956 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.3373997634690005,
"density_atomic": 0.07084786842816024,
"volume": 282.2950138617086,
"volume_molar": 8.500101546606802,
"formula_full": "Sr4 Zr4 O12",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6231902619999998,
"spacegroup": 63
}
]
}