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=987",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=985",
"results": [
{
"id": "jvasp-48134",
"created_at": "2022-09-04T14:36:33.349315Z",
"updated_at": "2022-09-04T14:36:33.349343Z",
"structure_string": "Li1 P2 W1 O8\n1.0\n4.048157 2.665922 0.329224\n-4.048157 2.665922 -0.329224\n0.185479 0.000000 6.849113\nLi P W O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.333478 0.666521 0.733057 P\n0.666521 0.333478 0.266943 P\n0.000000 -0.000000 0.500000 W\n0.231317 0.768682 0.548953 O\n0.227305 0.772695 0.922378 O\n0.686275 0.786514 0.703852 O\n0.213486 0.313724 0.703852 O\n0.786514 0.686275 0.296148 O\n0.313725 0.213486 0.296148 O\n0.772695 0.227305 0.077622 O\n0.768682 0.231317 0.451047 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.285953604343655,
"density_atomic": 0.08135226972650574,
"volume": 147.5066404458317,
"volume_molar": 7.402547931662562,
"formula_full": "Li1 P2 W1 O8",
"formula_reduced": "LiP2WO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.2543899166666668,
"spacegroup": 12
},
{
"id": "jvasp-43060",
"created_at": "2022-09-04T14:38:07.689655Z",
"updated_at": "2022-09-04T14:38:07.689683Z",
"structure_string": "Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.088230773893664,
"density_atomic": 0.08135193998025074,
"volume": 172.09177806206816,
"volume_molar": 7.402577936631817,
"formula_full": "Na4 Co4 O6",
"formula_reduced": "Na2Co2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.859448614285714,
"spacegroup": 14
},
{
"id": "jvasp-36777",
"created_at": "2022-09-04T14:38:00.035914Z",
"updated_at": "2022-09-04T14:38:00.035924Z",
"structure_string": "Li1 Ag1 O2\n1.0\n3.014164 0.000000 0.000000\n-0.000000 3.074942 0.000000\n0.000000 0.000000 5.305200\nLi Ag O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500000 Ag\n0.000000 0.500000 0.245637 O\n0.000000 0.500000 0.754363 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 4.9578485015448495,
"density_atomic": 0.08134941298396832,
"volume": 49.170606809274545,
"volume_molar": 7.402807886501646,
"formula_full": "Li1 Ag1 O2",
"formula_reduced": "LiAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.088896065,
"spacegroup": 47
},
{
"id": "jvasp-12573",
"created_at": "2022-09-04T14:37:00.636424Z",
"updated_at": "2022-09-04T14:37:00.636438Z",
"structure_string": "Cu2 H8 Cl4 O4\n1.0\n3.777320 0.000000 0.000000\n-0.000000 7.341678 0.000000\n0.000000 0.000000 7.978850\nCu H Cl O\n2 8 4 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.136984 0.085689 0.314076 H\n0.863016 0.914312 0.685924 H\n0.136984 0.414311 0.185924 H\n0.863016 0.585689 0.814076 H\n0.863016 0.914312 0.314076 H\n0.136984 0.414311 0.814076 H\n0.136984 0.085689 0.685924 H\n0.863016 0.585689 0.185924 H\n0.619941 0.747421 0.500000 Cl\n0.380059 0.247421 0.000000 Cl\n0.380059 0.252580 0.500000 Cl\n0.619941 0.752580 0.000000 Cl\n0.000000 0.500000 0.743001 O\n0.000000 0.000000 0.756999 O\n0.000000 0.500000 0.256999 O\n0.000000 0.000000 0.243001 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 2.5588194303585623,
"density_atomic": 0.08134916389647567,
"volume": 221.2684081536064,
"volume_molar": 7.4028305535674965,
"formula_full": "Cu2 H8 Cl4 O4",
"formula_reduced": "CuH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.8654117316666663,
"spacegroup": 53
},
{
"id": "jvasp-52220",
"created_at": "2022-09-04T14:36:51.313182Z",
"updated_at": "2022-09-04T14:36:51.313193Z",
"structure_string": "Na2 Sb6 O16\n1.0\n0.000000 5.754020 0.017302\n4.850499 0.000000 0.000000\n0.000000 -1.369931 -10.575654\nNa Sb O\n2 6 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Sb\n0.240902 0.022641 0.749959 Sb\n0.759099 0.522641 0.750041 Sb\n0.500000 0.000000 0.500000 Sb\n0.240902 0.477360 0.249959 Sb\n0.759099 0.977360 0.250041 Sb\n0.517232 0.275708 0.172796 O\n0.000465 0.204983 0.184283 O\n0.999535 0.704983 0.315717 O\n0.482768 0.775708 0.327204 O\n0.765894 0.150522 0.419899 O\n0.294541 0.291749 0.415885 O\n0.705459 0.708251 0.584115 O\n0.999535 0.795017 0.815716 O\n0.517232 0.224292 0.672795 O\n0.000465 0.295017 0.684283 O\n0.234107 0.650522 0.080101 O\n0.482768 0.724292 0.827204 O\n0.765894 0.349478 0.919899 O\n0.294541 0.208251 0.915885 O\n0.234107 0.849478 0.580101 O\n0.705459 0.791749 0.084115 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb",
"density": 5.811067557656633,
"density_atomic": 0.08134210661391914,
"volume": 295.0501406843717,
"volume_molar": 7.403472826912871,
"formula_full": "Na2 Sb6 O16",
"formula_reduced": "NaSb3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.250740441666667,
"spacegroup": 14
},
{
"id": "jvasp-9608",
"created_at": "2022-09-04T14:38:12.192753Z",
"updated_at": "2022-09-04T14:38:12.192763Z",
"structure_string": "Na2 N2 O6\n1.0\n4.595346 -0.062107 4.115949\n1.800963 4.228191 4.115949\n-0.095355 -0.062107 6.168399\nNa N O\n2 2 6\ndirect\n0.500001 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.750001 0.749999 0.750000 N\n0.250000 0.250000 0.250000 N\n0.750000 0.502622 -0.002623 O\n-0.002623 0.750000 0.502623 O\n0.497378 0.002623 0.250000 O\n0.250000 0.497377 0.002623 O\n0.002624 0.250000 0.497377 O\n0.502625 -0.002624 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.2960279673236323,
"density_atomic": 0.0813404165815816,
"volume": 122.94011292615336,
"volume_molar": 7.4036266509159105,
"formula_full": "Na2 N2 O6",
"formula_reduced": "NaNO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.28726055,
"spacegroup": 167
},
{
"id": "jvasp-106171",
"created_at": "2022-09-04T14:36:03.441613Z",
"updated_at": "2022-09-04T14:36:03.441642Z",
"structure_string": "Fe2 F6\n1.0\n4.495109 0.080823 2.942752\n1.632063 4.189142 2.942752\n0.115977 0.080823 5.371437\nFe F\n2 6\ndirect\n0.500000 0.499999 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250001 0.615884 0.884116 F\n0.884116 0.249999 0.615885 F\n0.615885 0.884114 0.250000 F\n0.750000 0.384114 0.115885 F\n0.115885 0.749999 0.384115 F\n0.384116 0.115884 0.750000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"F"
],
"chemical_system": "F-Fe",
"density": 3.8101494059202192,
"density_atomic": 0.08133716209265648,
"volume": 98.35602563667855,
"volume_molar": 7.403922887228086,
"formula_full": "Fe2 F6",
"formula_reduced": "FeF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1950590868749998,
"spacegroup": 167
},
{
"id": "jvasp-99867",
"created_at": "2022-09-04T14:36:35.569483Z",
"updated_at": "2022-09-04T14:36:35.569505Z",
"structure_string": "Nb1 Co1 Pb2 O6\n1.0\n4.833628 -0.000000 2.790696\n1.611210 4.557189 2.790696\n0.000000 -0.000000 5.581393\nNb Co Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.744224 0.255777 0.255777 O\n0.255777 0.744224 0.744223 O\n0.255777 0.744224 0.255777 O\n0.744224 0.255777 0.744223 O\n0.255777 0.255777 0.744223 O\n0.744224 0.744224 0.255777 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nb",
"Co",
"Pb",
"O"
],
"chemical_system": "Co-Nb-O-Pb",
"density": 8.944354412768313,
"density_atomic": 0.08133680943508427,
"volume": 122.94556510703929,
"volume_molar": 7.403954988923351,
"formula_full": "Nb1 Co1 Pb2 O6",
"formula_reduced": "NbCo(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.669677294,
"spacegroup": 225
},
{
"id": "jvasp-67568",
"created_at": "2022-09-04T14:35:56.938550Z",
"updated_at": "2022-09-04T14:35:56.938569Z",
"structure_string": "Li1 Ti1 Be2\n1.0\n4.115545 0.000000 -0.000000\n0.000000 4.115545 0.000000\n0.000000 0.000000 2.903524\nLi Ti Be\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.000000 0.499999 Ti\n0.500001 0.000000 0.000000 Be\n0.000000 0.500001 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Be"
],
"chemical_system": "Be-Li-Ti",
"density": 2.459197306319273,
"density_atomic": 0.08133544774345312,
"volume": 49.17904936869262,
"volume_molar": 7.404078943531402,
"formula_full": "Li1 Ti1 Be2",
"formula_reduced": "LiTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0785201333333334,
"spacegroup": 123
},
{
"id": "jvasp-17613",
"created_at": "2022-09-04T14:38:31.071063Z",
"updated_at": "2022-09-04T14:38:31.071091Z",
"structure_string": "Ti1 Ga1 Co2\n1.0\n3.561494 0.000000 2.056230\n1.187164 3.357808 2.056230\n-0.000000 -0.000000 4.112458\nTi Ga Co\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.749998 0.750000 0.750001 Co\n0.249999 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ti",
"density": 7.950053047255313,
"density_atomic": 0.08133368309364375,
"volume": 49.180116378039706,
"volume_molar": 7.404239585543412,
"formula_full": "Ti1 Ga1 Co2",
"formula_reduced": "TiGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3546581145833336,
"spacegroup": 225
},
{
"id": "jvasp-121246",
"created_at": "2022-09-04T14:38:54.900629Z",
"updated_at": "2022-09-04T14:38:54.900651Z",
"structure_string": "Zn1 Si2 N2\n1.0\n2.961262 0.000000 0.000000\n-0.000000 2.961262 -0.000000\n0.000000 0.000000 7.010508\nZn Si N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Zn\n0.499999 0.499999 0.837482 Si\n0.499999 0.499999 0.162518 Si\n0.000000 0.499999 0.302503 N\n0.499999 0.000000 0.697498 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Si",
"N"
],
"chemical_system": "N-Si-Zn",
"density": 4.040716434459662,
"density_atomic": 0.08133301050704984,
"volume": 61.47565384373183,
"volume_molar": 7.404300815199762,
"formula_full": "Zn1 Si2 N2",
"formula_reduced": "Zn(SiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": null,
"spacegroup": 115
},
{
"id": "jvasp-64916",
"created_at": "2022-09-04T14:35:58.332890Z",
"updated_at": "2022-09-04T14:35:58.332919Z",
"structure_string": "Li4 Be1 Tc1\n1.0\n0.000000 3.328821 3.328821\n3.328821 0.000000 3.328821\n3.328821 3.328821 0.000000\nLi Be Tc\n4 1 1\ndirect\n0.375201 0.375201 0.375201 Li\n0.375201 0.874397 0.375201 Li\n0.375201 0.375201 0.874397 Li\n0.874397 0.375201 0.375201 Li\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Tc"
],
"chemical_system": "Be-Li-Tc",
"density": 3.0336182157974156,
"density_atomic": 0.08132984171021594,
"volume": 73.77365889114147,
"volume_molar": 7.404589303711325,
"formula_full": "Li4 Be1 Tc1",
"formula_reduced": "Li4BeTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9489379333333336,
"spacegroup": 216
}
]
}