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=formula_anonymous&page=4034",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4032",
"results": [
{
"id": "jvasp-40493",
"created_at": "2022-09-04T14:38:12.580317Z",
"updated_at": "2022-09-04T14:38:12.580339Z",
"structure_string": "Ca2 Bi2 O6\n1.0\n5.940062 0.000034 0.000335\n2.970000 5.144229 0.000553\n2.969732 1.714431 5.067328\nCa Bi O\n2 2 6\ndirect\n0.137836 0.137837 0.586491 Ca\n0.862165 0.862163 0.413507 Ca\n0.355118 0.355114 0.934655 Bi\n0.644882 0.644886 0.065343 Bi\n0.737232 0.037820 0.761447 O\n0.037821 0.463500 0.761447 O\n0.463502 0.737231 0.761447 O\n0.536499 0.262768 0.238552 O\n0.962180 0.536499 0.238552 O\n0.262769 0.962180 0.238552 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.371692558794012,
"density_atomic": 0.06458572117529522,
"volume": 154.8329850317614,
"volume_molar": 9.324260301522404,
"formula_full": "Ca2 Bi2 O6",
"formula_reduced": "CaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.235743044,
"spacegroup": 148
},
{
"id": "jvasp-109265",
"created_at": "2022-09-04T14:38:27.760261Z",
"updated_at": "2022-09-04T14:38:27.760274Z",
"structure_string": "Ba1 Au1 O3\n1.0\n4.186305 -0.000000 0.000000\n0.000000 4.186305 0.000000\n-0.000000 -0.000000 4.186305\nBa Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 Au\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 8.652696002358509,
"density_atomic": 0.0681518116830022,
"volume": 73.36562119957632,
"volume_molar": 8.836361956173773,
"formula_full": "Ba1 Au1 O3",
"formula_reduced": "BaAuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.320466808,
"spacegroup": 221
},
{
"id": "jvasp-31146",
"created_at": "2022-09-04T14:38:29.538653Z",
"updated_at": "2022-09-04T14:38:29.538679Z",
"structure_string": "H3 Cl1 O1\n1.0\n3.923337 -0.100825 -0.080518\n1.017615 3.790409 -0.080518\n1.017615 0.759889 3.714331\nH Cl O\n3 1 1\ndirect\n0.352702 0.701170 0.701169 H\n0.701170 0.352703 0.701169 H\n0.701170 0.701170 0.352702 H\n-0.005129 -0.005129 -0.005129 Cl\n0.546083 0.546084 0.546083 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 1.6120814584359786,
"density_atomic": 0.08910476408460878,
"volume": 56.113722440837016,
"volume_molar": 6.758494702125827,
"formula_full": "H3 Cl1 O1",
"formula_reduced": "H3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0108815134999998,
"spacegroup": 160
},
{
"id": "jvasp-55798",
"created_at": "2022-09-04T14:38:19.396422Z",
"updated_at": "2022-09-04T14:38:19.396444Z",
"structure_string": "Lu4 Mn4 O12\n1.0\n5.176951 0.000000 0.000000\n-0.000000 5.608394 0.000000\n0.000000 0.000000 7.476994\nLu Mn O\n4 4 12\ndirect\n0.022185 0.920583 0.750000 Lu\n0.522185 0.579416 0.250000 Lu\n0.477815 0.420583 0.750000 Lu\n0.977815 0.079416 0.250000 Lu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.623685 0.044644 0.750000 O\n0.123685 0.455356 0.250000 O\n0.691628 0.313655 0.061169 O\n0.191629 0.186344 0.938831 O\n0.808371 0.813655 0.438831 O\n0.191629 0.186344 0.561168 O\n0.308371 0.686344 0.938831 O\n0.808371 0.813655 0.061169 O\n0.876315 0.544643 0.750000 O\n0.691628 0.313655 0.438831 O\n0.308371 0.686344 0.561168 O\n0.376315 0.955356 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"O"
],
"chemical_system": "Lu-Mn-O",
"density": 8.502822325682244,
"density_atomic": 0.09212773481688645,
"volume": 217.08989198260548,
"volume_molar": 6.536729435462227,
"formula_full": "Lu4 Mn4 O12",
"formula_reduced": "LuMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.147212698275862,
"spacegroup": 62
},
{
"id": "jvasp-42505",
"created_at": "2022-09-04T14:38:29.684866Z",
"updated_at": "2022-09-04T14:38:29.684893Z",
"structure_string": "Cd4 Sn4 O12\n1.0\n5.543044 -0.000000 0.000000\n0.000000 5.652266 0.000000\n0.000000 0.000000 8.006471\nCd Sn O\n4 4 12\ndirect\n0.010403 0.955243 0.750000 Cd\n0.489596 0.455242 0.750000 Cd\n0.510403 0.544759 0.250000 Cd\n0.989596 0.044758 0.250000 Cd\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.807148 0.803587 0.060924 O\n0.692851 0.303587 0.439076 O\n0.692851 0.303587 0.060924 O\n0.613303 0.053411 0.750000 O\n0.386697 0.946590 0.250000 O\n0.192851 0.196414 0.560924 O\n0.307148 0.696414 0.560924 O\n0.192851 0.196414 0.939076 O\n0.807148 0.803587 0.439076 O\n0.113303 0.446590 0.250000 O\n0.307148 0.696414 0.939076 O\n0.886696 0.553411 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"O"
],
"chemical_system": "Cd-O-Sn",
"density": 7.390719973948077,
"density_atomic": 0.07972929847935908,
"volume": 250.84881444401208,
"volume_molar": 7.553234350304809,
"formula_full": "Cd4 Sn4 O12",
"formula_reduced": "CdSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.91363439,
"spacegroup": 62
},
{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 6.483719714856398,
"density_atomic": 0.09237223435916161,
"volume": 216.51527798100048,
"volume_molar": 6.519427403460568,
"formula_full": "V4 Cd4 O12",
"formula_reduced": "VCdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6649888899999998,
"spacegroup": 62
},
{
"id": "jvasp-17506",
"created_at": "2022-09-04T14:38:30.251158Z",
"updated_at": "2022-09-04T14:38:30.251184Z",
"structure_string": "Nd3 Pb1 N1\n1.0\n5.866082 0.000000 0.000000\n0.000000 5.866082 0.000000\n0.000000 0.000000 5.866082\nNd Pb N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Pb",
"N"
],
"chemical_system": "N-Nd-Pb",
"density": 5.379448618074686,
"density_atomic": 0.024769977705984526,
"volume": 201.8572668635055,
"volume_molar": 24.312257489618272,
"formula_full": "Nd3 Pb1 N1",
"formula_reduced": "Nd3PbN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.464669714,
"spacegroup": 221
},
{
"id": "jvasp-17505",
"created_at": "2022-09-04T14:38:29.705122Z",
"updated_at": "2022-09-04T14:38:29.705149Z",
"structure_string": "Yb3 In1 C1\n1.0\n4.987647 0.000000 0.000000\n0.000000 4.987647 0.000000\n-0.000000 -0.000000 4.987647\nYb In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"In",
"C"
],
"chemical_system": "C-In-Yb",
"density": 8.644900513044934,
"density_atomic": 0.04029794298196119,
"volume": 124.07581206410909,
"volume_molar": 14.94404010322742,
"formula_full": "Yb3 In1 C1",
"formula_reduced": "Yb3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6596324140000003,
"spacegroup": 221
},
{
"id": "jvasp-117991",
"created_at": "2022-09-04T14:38:30.247519Z",
"updated_at": "2022-09-04T14:38:30.247543Z",
"structure_string": "Ca1 Ti1 O3\n1.0\n3.871314 0.000000 -0.000000\n-0.000000 3.871314 -0.000000\n0.000000 0.000000 3.871314\nCa Ti O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.89073267069181,
"density_atomic": 0.08617768233546767,
"volume": 58.0196619878483,
"volume_molar": 6.988051426768878,
"formula_full": "Ca1 Ti1 O3",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5909378506666665,
"spacegroup": 221
},
{
"id": "jvasp-17939",
"created_at": "2022-09-04T14:38:12.732929Z",
"updated_at": "2022-09-04T14:38:12.732945Z",
"structure_string": "Sc3 Pb1 C1\n1.0\n4.543392 0.000000 0.000000\n0.000000 4.543392 0.000000\n-0.000000 0.000000 4.543392\nSc Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Pb",
"C"
],
"chemical_system": "C-Pb-Sc",
"density": 6.269139715872711,
"density_atomic": 0.053312540369076206,
"volume": 93.78656438777088,
"volume_molar": 11.29591784279919,
"formula_full": "Sc3 Pb1 C1",
"formula_reduced": "Sc3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.851719314,
"spacegroup": 221
},
{
"id": "jvasp-108886",
"created_at": "2022-09-04T14:38:20.007451Z",
"updated_at": "2022-09-04T14:38:20.007478Z",
"structure_string": "Na1 Si1 O3\n1.0\n3.547373 -0.000000 0.000000\n0.000000 3.547373 0.000000\n-0.000000 0.000000 3.547373\nNa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 3.6854107644657894,
"density_atomic": 0.11200810141702744,
"volume": 44.63962817639458,
"volume_molar": 5.3765224870462065,
"formula_full": "Na1 Si1 O3",
"formula_reduced": "NaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.62702562,
"spacegroup": 221
},
{
"id": "jvasp-27502",
"created_at": "2022-09-04T14:38:13.479597Z",
"updated_at": "2022-09-04T14:38:13.479624Z",
"structure_string": "Sr4 P4 Se12\n1.0\n0.000000 7.039021 0.004064\n7.819735 0.000000 0.000000\n0.000000 -6.731934 -9.827922\nSr P Se\n4 4 12\ndirect\n0.714307 0.891763 0.251613 Sr\n0.285694 0.391763 0.248387 Sr\n0.285694 0.108237 0.748387 Sr\n0.714307 0.608236 0.751613 Sr\n0.376412 0.892877 0.435879 P\n0.623588 0.392877 0.064121 P\n0.623588 0.107123 0.564121 P\n0.376413 0.607122 0.935879 P\n0.390070 0.305124 0.554311 Se\n0.609931 0.805123 0.945689 Se\n0.220049 0.797647 0.542344 Se\n0.779952 0.297647 0.957656 Se\n0.779952 0.202353 0.457656 Se\n0.871283 0.997333 0.767806 Se\n0.128718 0.002667 0.232194 Se\n0.871283 0.502667 0.267806 Se\n0.390069 0.194876 0.054312 Se\n0.128718 0.497333 0.732194 Se\n0.220048 0.702353 0.042344 Se\n0.609931 0.694876 0.445689 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"P",
"Se"
],
"chemical_system": "P-Se-Sr",
"density": 4.3663890421733385,
"density_atomic": 0.03698586540682068,
"volume": 540.74711460751,
"volume_molar": 16.282276198651385,
"formula_full": "Sr4 P4 Se12",
"formula_reduced": "SrPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2015663819999998,
"spacegroup": 14
}
]
}