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=spacegroup&page=4581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4579",
"results": [
{
"id": "jvasp-53021",
"created_at": "2022-09-04T14:37:08.217882Z",
"updated_at": "2022-09-04T14:37:08.217910Z",
"structure_string": "Mo4 O8\n1.0\n5.045905 0.000749 2.907100\n1.685874 4.752550 -2.912642\n-5.051234 -0.000000 2.916331\nMo O\n4 8\ndirect\n0.500000 0.500001 0.000002 Mo\n0.000001 0.000000 0.500000 Mo\n0.000002 0.500001 0.000001 Mo\n0.000000 0.500001 0.500001 Mo\n0.750678 0.749321 0.002009 O\n0.247223 0.748448 0.497836 O\n0.249321 0.250679 -0.002008 O\n0.248449 0.747223 -0.002164 O\n0.752777 0.251552 0.502165 O\n0.249321 0.250679 0.502008 O\n0.751553 0.252776 0.002165 O\n0.750681 0.749321 0.497994 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 6.081559393294054,
"density_atomic": 0.08587857644289333,
"volume": 139.7321718296022,
"volume_molar": 7.012390062153093,
"formula_full": "Mo4 O8",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6200143,
"spacegroup": 227
},
{
"id": "jvasp-19060",
"created_at": "2022-09-04T14:37:08.549524Z",
"updated_at": "2022-09-04T14:37:08.549542Z",
"structure_string": "Dy4 Hf4 O14\n1.0\n6.414079 -0.000000 3.703170\n2.138026 6.047251 3.703170\n0.000000 -0.000000 7.406340\nDy Hf O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 -0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 -0.000000 Hf\n0.088373 0.661627 0.088373 O\n0.661628 0.088373 0.661627 O\n0.661628 0.088373 0.088373 O\n0.625001 0.625000 0.625000 O\n0.911628 0.338373 0.338373 O\n0.338373 0.911627 0.338372 O\n0.338373 0.338373 0.911627 O\n0.911628 0.911627 0.338372 O\n0.911628 0.338373 0.911627 O\n0.088373 0.661627 0.661627 O\n0.338373 0.911627 0.911627 O\n0.375000 0.375000 0.375000 O\n0.661628 0.661627 0.088372 O\n0.088373 0.088373 0.661627 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Hf",
"O"
],
"chemical_system": "Dy-Hf-O",
"density": 9.17889525265988,
"density_atomic": 0.07658200561919842,
"volume": 287.2737508259355,
"volume_molar": 7.863649836940682,
"formula_full": "Dy4 Hf4 O14",
"formula_reduced": "Dy2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.024153954545455,
"spacegroup": 227
},
{
"id": "jvasp-56506",
"created_at": "2022-09-04T14:37:08.245084Z",
"updated_at": "2022-09-04T14:37:08.245111Z",
"structure_string": "Ca2 Ir4\n1.0\n4.640750 -0.000000 2.679339\n1.546917 4.375342 2.679339\n0.000000 -0.000000 5.358677\nCa Ir\n2 4\ndirect\n0.375000 0.375000 0.375000 Ca\n0.625000 0.625000 0.625001 Ca\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ir"
],
"chemical_system": "Ca-Ir",
"density": 12.957204266599504,
"density_atomic": 0.05514339380971584,
"volume": 108.80723121076466,
"volume_molar": 10.920874367618165,
"formula_full": "Ca2 Ir4",
"formula_reduced": "CaIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.416657539999999,
"spacegroup": 227
},
{
"id": "jvasp-52312",
"created_at": "2022-09-04T14:37:08.306475Z",
"updated_at": "2022-09-04T14:37:08.306495Z",
"structure_string": "Sr2 Nd4 O8\n1.0\n0.000002 7.194142 -0.000000\n3.597070 -3.597072 5.087201\n7.194142 -0.000002 0.000000\nSr Nd O\n2 4 8\ndirect\n0.625000 0.750000 0.125000 Sr\n0.375000 0.250000 0.875000 Sr\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.764448 0.028858 0.264412 O\n0.764413 0.471141 0.264410 O\n0.206729 0.471141 0.264448 O\n0.235590 0.971141 0.293271 O\n0.764410 0.028858 0.706728 O\n0.793271 0.528858 0.735551 O\n0.235587 0.528858 0.735590 O\n0.235551 0.971141 0.735587 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Nd",
"O"
],
"chemical_system": "Nd-O-Sr",
"density": 5.551305545025316,
"density_atomic": 0.05317299547155645,
"volume": 263.291542555449,
"volume_molar": 11.325562358474597,
"formula_full": "Sr2 Nd4 O8",
"formula_reduced": "SrNd2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.531901901428571,
"spacegroup": 227
},
{
"id": "jvasp-21234",
"created_at": "2022-09-04T14:37:08.394272Z",
"updated_at": "2022-09-04T14:37:08.394291Z",
"structure_string": "Tb4 Ti4 O14\n1.0\n6.230198 0.000000 3.597007\n2.076732 5.873887 3.597007\n0.000000 0.000000 7.194014\nTb Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 -0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 -0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.079757 0.670243 0.079757 O\n0.670243 0.079757 0.670243 O\n0.670243 0.079757 0.079757 O\n0.625000 0.625000 0.625000 O\n0.920243 0.329757 0.329757 O\n0.329757 0.920243 0.329757 O\n0.329757 0.329757 0.920243 O\n0.920243 0.920243 0.329757 O\n0.920243 0.329757 0.920243 O\n0.079757 0.670243 0.670243 O\n0.329757 0.920243 0.920243 O\n0.375000 0.375000 0.375000 O\n0.670243 0.670243 0.079757 O\n0.079757 0.079757 0.670243 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Ti",
"O"
],
"chemical_system": "O-Tb-Ti",
"density": 6.630093021857667,
"density_atomic": 0.08356491305832414,
"volume": 263.268388547776,
"volume_molar": 7.206542243150359,
"formula_full": "Tb4 Ti4 O14",
"formula_reduced": "Tb2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.687064360606061,
"spacegroup": 227
},
{
"id": "jvasp-50439",
"created_at": "2022-09-04T14:37:08.460116Z",
"updated_at": "2022-09-04T14:37:08.460143Z",
"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Hg",
"O"
],
"chemical_system": "Al-Hg-O",
"density": 6.79325308574738,
"density_atomic": 0.08989762216825972,
"volume": 155.7327064090356,
"volume_molar": 6.69888770664976,
"formula_full": "Al4 Hg2 O8",
"formula_reduced": "Al2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5123020285714286,
"spacegroup": 227
},
{
"id": "jvasp-55537",
"created_at": "2022-09-04T14:37:08.643035Z",
"updated_at": "2022-09-04T14:37:08.643054Z",
"structure_string": "Dy4 Sn4 O14\n1.0\n6.410530 -0.000000 3.701121\n2.136844 6.043906 3.701121\n0.000000 -0.000000 7.402243\nDy Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Dy\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.089536 0.660464 0.089536 O\n0.660464 0.089536 0.660463 O\n0.660464 0.089536 0.089536 O\n0.625000 0.625000 0.625000 O\n0.910463 0.339537 0.339536 O\n0.339536 0.910464 0.339536 O\n0.339536 0.339537 0.910463 O\n0.910463 0.910464 0.339536 O\n0.910463 0.339537 0.910463 O\n0.089536 0.660464 0.660463 O\n0.339536 0.910464 0.910463 O\n0.375000 0.375000 0.375000 O\n0.660463 0.660464 0.089536 O\n0.089536 0.089536 0.660463 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"O"
],
"chemical_system": "Dy-O-Sn",
"density": 7.809655079235706,
"density_atomic": 0.07670924437046872,
"volume": 286.79724563248976,
"volume_molar": 7.850606285359767,
"formula_full": "Dy4 Sn4 O14",
"formula_reduced": "Dy2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.0039673545454546,
"spacegroup": 227
},
{
"id": "jvasp-12620",
"created_at": "2022-09-04T14:37:08.528867Z",
"updated_at": "2022-09-04T14:37:08.528892Z",
"structure_string": "Cr4 Hg2 O8\n1.0\n5.358421 0.000000 3.093685\n1.786140 5.051967 3.093685\n0.000000 0.000000 6.187371\nCr Hg O\n4 2 8\ndirect\n-0.000000 0.500000 0.000000 Cr\n0.500000 -0.000000 0.000000 Cr\n-0.000000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.625000 0.625000 0.625001 Hg\n0.375000 0.375000 0.375000 Hg\n0.771713 0.771714 0.771715 O\n0.228286 0.228286 0.815141 O\n0.228286 0.815141 0.228287 O\n0.815141 0.228286 0.228287 O\n0.771714 0.184859 0.771714 O\n0.184859 0.771714 0.771714 O\n0.228286 0.228286 0.228287 O\n0.771713 0.771714 0.184860 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Hg",
"O"
],
"chemical_system": "Cr-Hg-O",
"density": 7.308144543944377,
"density_atomic": 0.08358426752439428,
"volume": 167.4956354186398,
"volume_molar": 7.2048735226906455,
"formula_full": "Cr4 Hg2 O8",
"formula_reduced": "Cr2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6329833428571434,
"spacegroup": 227
},
{
"id": "jvasp-43446",
"created_at": "2022-09-04T14:37:08.683736Z",
"updated_at": "2022-09-04T14:37:08.683759Z",
"structure_string": "Ag4 Ru4 O12\n1.0\n-5.055438 5.055438 -0.000000\n5.055438 0.000000 5.055438\n5.055438 5.055438 -0.000000\nAg Ru O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.427173 0.250000 0.822828 O\n0.177173 0.354345 0.572828 O\n0.177173 0.750000 0.177173 O\n0.572828 0.750000 0.572828 O\n0.427173 0.250000 0.427173 O\n0.572828 0.145655 0.177173 O\n0.822828 0.250000 0.822828 O\n0.572828 0.750000 0.177173 O\n0.427173 0.854346 0.822828 O\n0.822828 0.250000 0.427173 O\n0.822828 0.645655 0.427173 O\n0.177173 0.750000 0.572828 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Ru",
"O"
],
"chemical_system": "Ag-O-Ru",
"density": 6.60432386620444,
"density_atomic": 0.07739691215541074,
"volume": 258.4082419184965,
"volume_molar": 7.780854031886593,
"formula_full": "Ag4 Ru4 O12",
"formula_reduced": "AgRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.288863652,
"spacegroup": 227
},
{
"id": "jvasp-50140",
"created_at": "2022-09-04T14:37:08.895940Z",
"updated_at": "2022-09-04T14:37:08.895966Z",
"structure_string": "Li4 Ti4 S8\n1.0\n-5.016775 5.016775 0.000000\n5.016775 -0.000000 5.016780\n5.016775 5.016775 -0.000000\nLi Ti S\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500001 Ti\n-0.000000 0.500000 0.500001 Ti\n0.747427 0.005148 0.747427 S\n0.747426 0.494852 0.257723 S\n0.747426 0.494852 0.747427 S\n0.257723 0.005148 0.747427 S\n0.252574 0.505148 0.252575 S\n0.742278 0.994852 0.252575 S\n0.252574 0.994852 0.252575 S\n0.252574 0.505148 0.742278 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 3.1284226457213986,
"density_atomic": 0.06336007511751168,
"volume": 252.52495314005498,
"volume_molar": 9.504630082636345,
"formula_full": "Li4 Ti4 S8",
"formula_reduced": "LiTiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.690344583333333,
"spacegroup": 227
},
{
"id": "jvasp-52124",
"created_at": "2022-09-04T14:37:10.471453Z",
"updated_at": "2022-09-04T14:37:10.471479Z",
"structure_string": "Mg4 V2 O8\n1.0\n5.135516 -0.000000 2.964991\n1.711839 4.841810 2.964991\n-0.000000 0.000000 5.929982\nMg V O\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.500001 0.500000 0.499999 Mg\n0.125000 0.125000 0.125000 V\n0.875001 0.875000 0.874999 V\n0.748845 0.748844 0.748843 O\n0.251156 0.251156 0.746530 O\n0.251157 0.746531 0.251156 O\n0.746531 0.251156 0.251156 O\n0.748845 0.253469 0.748843 O\n0.253470 0.748844 0.748843 O\n0.251156 0.251156 0.251156 O\n0.748845 0.748844 0.253469 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.6836812787436197,
"density_atomic": 0.09494734626033373,
"volume": 147.45014527961376,
"volume_molar": 6.3426109282591705,
"formula_full": "Mg4 V2 O8",
"formula_reduced": "Mg2VO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6053637571428572,
"spacegroup": 227
},
{
"id": "jvasp-49899",
"created_at": "2022-09-04T14:37:09.075041Z",
"updated_at": "2022-09-04T14:37:09.075062Z",
"structure_string": "Nb4 Pb4 O14\n1.0\n0.000000 5.422202 5.422202\n5.422202 0.000000 5.422202\n5.422202 5.422202 -0.000000\nNb Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.811431 0.438569 0.811431 O\n0.811431 0.811431 0.438569 O\n0.438569 0.438569 0.811431 O\n0.438569 0.811431 0.438569 O\n0.188570 0.561431 0.561431 O\n0.811431 0.438569 0.438569 O\n0.561431 0.188570 0.561431 O\n0.188570 0.561431 0.188570 O\n0.188570 0.188570 0.561431 O\n0.438569 0.811431 0.811431 O\n0.561431 0.188570 0.188570 O\n0.125000 0.125000 0.125000 O\n0.561431 0.561431 0.188570 O\n0.875000 0.875000 0.875000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Pb",
"O"
],
"chemical_system": "Nb-O-Pb",
"density": 7.418723893731905,
"density_atomic": 0.06900262406193897,
"volume": 318.8284547012603,
"volume_molar": 8.727408329564877,
"formula_full": "Nb4 Pb4 O14",
"formula_reduced": "Nb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.915603176363636,
"spacegroup": 227
}
]
}