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=577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=575",
"results": [
{
"id": "jvasp-50910",
"created_at": "2022-09-04T14:37:08.342175Z",
"updated_at": "2022-09-04T14:37:08.342208Z",
"structure_string": "Sc4 Ti4 O12\n1.0\n5.115429 0.000000 0.000000\n0.000000 5.505446 0.000000\n0.000000 0.000000 7.517686\nSc Ti O\n4 4 12\ndirect\n0.973456 0.925816 0.758038 Sc\n0.526544 0.425815 0.758038 Sc\n0.473456 0.574185 0.258038 Sc\n0.026544 0.074185 0.258038 Sc\n0.000005 0.499990 0.508046 Ti\n0.499995 -0.000011 0.508046 Ti\n0.500005 0.000011 0.008046 Ti\n-0.000005 0.500011 0.008046 Ti\n0.181047 0.809574 0.078635 O\n0.318971 0.309569 0.437481 O\n0.318953 0.309573 0.078635 O\n0.352253 0.066221 0.758051 O\n0.647747 0.933780 0.258051 O\n0.818953 0.190427 0.578635 O\n0.681047 0.690428 0.578635 O\n0.818971 0.190432 0.937482 O\n0.181029 0.809569 0.437481 O\n0.852254 0.433779 0.258051 O\n0.681029 0.690432 0.937482 O\n0.147747 0.566222 0.758051 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"O"
],
"chemical_system": "O-Sc-Ti",
"density": 4.417922648161232,
"density_atomic": 0.09446506878603946,
"volume": 211.71847178028736,
"volume_molar": 6.374992192764891,
"formula_full": "Sc4 Ti4 O12",
"formula_reduced": "ScTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.232000816666667,
"spacegroup": 62
},
{
"id": "jvasp-50665",
"created_at": "2022-09-04T14:37:08.311465Z",
"updated_at": "2022-09-04T14:37:08.311490Z",
"structure_string": "Li2 Ag2 F6\n1.0\n-5.189596 0.239752 1.443693\n2.260790 4.424429 -2.014585\n0.943657 -1.029188 -5.363853\nLi Ag F\n2 2 6\ndirect\n0.324325 0.608425 0.069892 Li\n0.675668 0.391580 0.930102 Li\n0.132099 0.829174 0.467308 Ag\n0.867896 0.170825 0.532689 Ag\n0.039757 0.300850 0.218411 F\n0.563449 0.065161 0.733945 F\n0.283845 0.401652 0.796038 F\n0.716145 0.598337 0.203963 F\n0.436552 -0.065159 0.266048 F\n0.960264 0.699152 0.781607 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.493280216610525,
"density_atomic": 0.0787499168703029,
"volume": 126.98426103064325,
"volume_molar": 7.647170942311163,
"formula_full": "Li2 Ag2 F6",
"formula_reduced": "LiAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0134339999999998,
"spacegroup": 2
},
{
"id": "jvasp-55522",
"created_at": "2022-09-04T14:37:07.891497Z",
"updated_at": "2022-09-04T14:37:07.891532Z",
"structure_string": "P4 Pb4 S12\n1.0\n0.000000 6.720858 -0.005319\n7.481925 0.000000 0.000000\n0.000000 -6.419616 -9.417320\nP Pb S\n4 4 12\ndirect\n0.875590 0.139178 0.713012 P\n0.875591 0.860822 0.213012 P\n0.132886 0.360813 0.844749 P\n0.132887 0.639188 0.344749 P\n0.788231 0.634975 0.526391 Pb\n0.220258 0.134993 0.531367 Pb\n0.220258 0.865008 0.031367 Pb\n0.788231 0.365026 0.026391 Pb\n0.099385 0.053484 0.221162 S\n0.371226 0.255799 0.040461 S\n0.725046 0.946247 0.317003 S\n0.099384 0.946517 0.721162 S\n0.637256 0.755815 0.017295 S\n0.909093 0.553468 0.836600 S\n0.725045 0.053753 0.817003 S\n0.909093 0.446532 0.336599 S\n0.371226 0.744202 0.540461 S\n0.283428 0.553744 0.240760 S\n0.637256 0.244186 0.517295 S\n0.283428 0.446257 0.740760 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"P",
"Pb",
"S"
],
"chemical_system": "P-Pb-S",
"density": 4.687433847435265,
"density_atomic": 0.042211458799788625,
"volume": 473.80499439408504,
"volume_molar": 14.266601845160954,
"formula_full": "P4 Pb4 S12",
"formula_reduced": "PPbS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7993412640000002,
"spacegroup": 14
},
{
"id": "jvasp-34776",
"created_at": "2022-09-04T14:37:07.901023Z",
"updated_at": "2022-09-04T14:37:07.901056Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n5.413396 -0.000000 3.125426\n1.804466 5.103798 3.125426\n-0.000000 -0.000000 6.250851\nBa Bi O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500000 0.500000 Bi\n0.250072 0.749929 0.749929 O\n0.250072 0.749929 0.250072 O\n0.749929 0.250072 0.749929 O\n0.250072 0.250072 0.749928 O\n0.749929 0.250072 0.250072 O\n0.749930 0.749929 0.250072 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 7.582451065922563,
"density_atomic": 0.05790253503954513,
"volume": 172.704010164156,
"volume_molar": 10.400478590250179,
"formula_full": "Ba2 Bi2 O6",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2815161539999995,
"spacegroup": 221
},
{
"id": "jvasp-36489",
"created_at": "2022-09-04T14:37:09.417703Z",
"updated_at": "2022-09-04T14:37:09.417725Z",
"structure_string": "Sr3 Sb1 P1\n1.0\n5.710137 0.000000 0.000000\n0.000000 5.710137 0.000000\n-0.000000 0.000000 5.710137\nSr Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"P"
],
"chemical_system": "P-Sb-Sr",
"density": 3.7066239986448966,
"density_atomic": 0.026855325455952775,
"volume": 186.18281160661547,
"volume_molar": 22.424381971752,
"formula_full": "Sr3 Sb1 P1",
"formula_reduced": "Sr3SbP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4137281059999999,
"spacegroup": 221
},
{
"id": "jvasp-36592",
"created_at": "2022-09-04T14:37:09.429891Z",
"updated_at": "2022-09-04T14:37:09.429917Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n3.833861 -0.000000 -0.000000\n-0.000000 3.833861 -0.000000\n-0.000000 0.000000 3.833861\nMg Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.541088591486921,
"density_atomic": 0.08872804550934349,
"volume": 56.351968211375464,
"volume_molar": 6.787189693438969,
"formula_full": "Mg1 Ti1 O3",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6285975766666665,
"spacegroup": 221
},
{
"id": "jvasp-42856",
"created_at": "2022-09-04T14:37:06.741974Z",
"updated_at": "2022-09-04T14:37:06.741990Z",
"structure_string": "Pr4 B4 O12\n1.0\n5.101060 0.000000 0.000000\n-0.000000 5.790404 0.000000\n0.000000 0.000000 8.195594\nPr B O\n4 4 12\ndirect\n0.750000 0.757904 0.584724 Pr\n0.250000 0.742095 0.084724 Pr\n0.750000 0.257904 0.915276 Pr\n0.250000 0.242095 0.415276 Pr\n0.750000 0.916060 0.237680 B\n0.250000 0.583939 0.737679 B\n0.750000 0.416060 0.262320 B\n0.250000 0.083940 0.762320 B\n0.250000 0.600031 0.570401 O\n0.750000 0.899968 0.070401 O\n0.516717 0.912076 0.323034 O\n0.483283 0.587923 0.823034 O\n0.983283 0.412076 0.176966 O\n0.016717 0.587923 0.823034 O\n0.483283 0.087924 0.676965 O\n0.516717 0.412076 0.176966 O\n0.750000 0.399969 0.429599 O\n0.983283 0.912076 0.323034 O\n0.016717 0.087924 0.676965 O\n0.250000 0.100031 0.929598 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr",
"density": 5.479918038815544,
"density_atomic": 0.08261906242366314,
"volume": 242.07488457617438,
"volume_molar": 7.289045146892375,
"formula_full": "Pr4 B4 O12",
"formula_reduced": "PrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2041305866666665,
"spacegroup": 62
},
{
"id": "jvasp-11418",
"created_at": "2022-09-04T14:37:07.921750Z",
"updated_at": "2022-09-04T14:37:07.921781Z",
"structure_string": "Cu2 Si2 O6\n1.0\n2.868796 0.000000 0.000000\n0.000000 4.718942 0.000000\n0.000000 0.000000 8.671054\nCu Si O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500001 0.907971 0.750000 Si\n0.500001 0.092029 0.250000 Si\n0.500001 0.715274 0.593158 O\n0.500001 0.284726 0.406842 O\n0.500001 0.715274 0.906842 O\n0.500001 0.284726 0.093158 O\n0.000000 0.907419 0.250000 O\n0.000000 0.092581 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Si",
"density": 3.950396620112896,
"density_atomic": 0.08518905545299232,
"volume": 117.3859710830817,
"volume_molar": 7.069148411116076,
"formula_full": "Cu2 Si2 O6",
"formula_reduced": "CuSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7292799099999998,
"spacegroup": 51
},
{
"id": "jvasp-57147",
"created_at": "2022-09-04T14:37:07.930812Z",
"updated_at": "2022-09-04T14:37:07.930838Z",
"structure_string": "K1 Co1 F3\n1.0\n4.067636 -0.000000 -0.000000\n-0.000000 4.067636 -0.000000\n0.000000 -0.000000 4.067636\nK Co F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Co",
"F"
],
"chemical_system": "Co-F-K",
"density": 3.8249817362054266,
"density_atomic": 0.07429229205139964,
"volume": 67.30173295152497,
"volume_molar": 8.106010184520272,
"formula_full": "K1 Co1 F3",
"formula_reduced": "KCoF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1448348431666667,
"spacegroup": 221
},
{
"id": "jvasp-13100",
"created_at": "2022-09-04T14:37:09.492794Z",
"updated_at": "2022-09-04T14:37:09.492811Z",
"structure_string": "Hg2 As2 O6\n1.0\n2.471416 -4.280617 0.000000\n2.471416 4.280617 -0.000000\n0.000000 0.000000 7.733388\nHg As O\n2 2 6\ndirect\n0.000000 0.000000 0.167248 Hg\n0.000000 0.000000 0.832752 Hg\n0.333334 0.666668 0.500000 As\n0.666668 0.333334 0.500000 As\n0.000000 0.621089 0.364892 O\n0.621089 0.000000 0.364892 O\n0.378913 0.378913 0.364892 O\n0.378913 0.000000 0.635108 O\n0.621089 0.621089 0.635108 O\n0.000000 0.378913 0.635108 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.566206135427668,
"density_atomic": 0.061115022822162,
"volume": 163.62588997305787,
"volume_molar": 9.85378141398027,
"formula_full": "Hg2 As2 O6",
"formula_reduced": "HgAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4902033699999997,
"spacegroup": 162
},
{
"id": "jvasp-43450",
"created_at": "2022-09-04T14:37:09.432000Z",
"updated_at": "2022-09-04T14:37:09.432026Z",
"structure_string": "Li2 Fe2 F6\n1.0\n5.051151 0.000001 0.000000\n-2.525576 1.458141 4.807637\n2.525577 -4.374425 0.000000\nLi Fe F\n2 2 6\ndirect\n0.146284 0.438855 0.146285 Li\n0.853715 0.561145 0.853717 Li\n0.345252 0.035758 0.345252 Fe\n0.654747 0.964243 0.654750 Fe\n0.240437 0.745890 0.566035 F\n0.060582 0.254110 0.759564 F\n0.433965 0.254110 0.060582 F\n0.566034 0.745890 0.939420 F\n0.939417 0.745890 0.240438 F\n0.759562 0.254110 0.433966 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.7447664961653073,
"density_atomic": 0.09413626326007982,
"volume": 106.22898821012242,
"volume_molar": 6.397259197937377,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2933112695000001,
"spacegroup": 148
},
{
"id": "jvasp-29640",
"created_at": "2022-09-04T14:37:08.588021Z",
"updated_at": "2022-09-04T14:37:08.588038Z",
"structure_string": "Sn4 P4 Se12\n1.0\n6.951831 0.000000 -0.132699\n0.000000 7.664654 0.000000\n-0.003899 0.000000 9.821702\nSn P Se\n4 4 12\ndirect\n0.461833 0.880219 0.720507 Sn\n0.538166 0.119780 0.279493 Sn\n0.961833 0.619780 0.220507 Sn\n0.038166 0.380220 0.779493 Sn\n0.942373 0.891796 0.566445 P\n0.442373 0.608203 0.066445 P\n0.057626 0.108203 0.433555 P\n0.557626 0.391796 0.933554 P\n0.384951 0.494227 0.268869 Se\n0.884950 0.005773 0.768868 Se\n0.615049 0.505772 0.731131 Se\n0.336112 0.185877 0.940548 Se\n0.663888 0.814123 0.059452 Se\n0.836112 0.314123 0.440548 Se\n0.826828 0.297076 0.039634 Se\n0.673171 0.797076 0.460365 Se\n0.173171 0.702923 0.960365 Se\n0.326828 0.202923 0.539634 Se\n0.115049 0.994227 0.231131 Se\n0.163888 0.685877 0.559452 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"P",
"Se"
],
"chemical_system": "P-Se-Sn",
"density": 4.9063102285200815,
"density_atomic": 0.03821683991499743,
"volume": 523.3295072142112,
"volume_molar": 15.757819781527076,
"formula_full": "Sn4 P4 Se12",
"formula_reduced": "SnPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.56100746,
"spacegroup": 14
}
]
}