HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=44",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=42",
"results": [
{
"id": "oqmd-1218632",
"created_at": "2022-09-04T15:39:09.248566Z",
"updated_at": "2022-09-04T15:39:09.248597Z",
"structure_string": "K1 Ba1\n1.0\n0.000000 4.821693 4.821693\n4.821693 0.000000 4.821693\n4.821693 4.821693 0.000000\nBa K\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"K"
],
"chemical_system": "Ba-K",
"density": 1.3067162772821939,
"density_atomic": 0.00892074930057764,
"volume": 224.19641362082615,
"volume_molar": 67.50711803558981,
"formula_full": "K1 Ba1",
"formula_reduced": "KBa",
"formula_anonymous": "AB",
"formation_energy": 0.7739527575,
"spacegroup": 216
},
{
"id": "oqmd-1236960",
"created_at": "2022-09-04T15:40:40.660391Z",
"updated_at": "2022-09-04T15:40:40.660423Z",
"structure_string": "Nd2 Ga4\n1.0\n4.916084 2.838303 8.027932\n-4.916084 2.838303 8.027932\n0.000000 -5.676605 8.027932\nGa Nd\n4 2\ndirect\n0.624999 0.624999 0.125000 Ga\n0.624999 0.125000 0.624999 Ga\n0.125000 0.624999 0.624999 Ga\n0.624999 0.624999 0.624999 Ga\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ga",
"Nd"
],
"chemical_system": "Ga-Nd",
"density": 1.4018034448480512,
"density_atomic": 0.008927262695967247,
"volume": 672.0985148908419,
"volume_molar": 67.45786435432677,
"formula_full": "Nd2 Ga4",
"formula_reduced": "NdGa2",
"formula_anonymous": "AB2",
"formation_energy": 1.30549683166667,
"spacegroup": 227
},
{
"id": "oqmd-1240916",
"created_at": "2022-09-04T15:40:54.214427Z",
"updated_at": "2022-09-04T15:40:54.214446Z",
"structure_string": "Ce2 Si4\n1.0\n4.912341 2.836141 8.021819\n-4.912341 2.836141 8.021819\n0.000000 -5.672283 8.021819\nCe Si\n2 4\ndirect\n0.499999 0.499999 0.499999 Ce\n0.750000 0.750000 0.750000 Ce\n0.625000 0.625000 0.125001 Si\n0.625000 0.125001 0.625000 Si\n0.125001 0.625000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Si"
],
"chemical_system": "Ce-Si",
"density": 0.9721429830330022,
"density_atomic": 0.008947686629314494,
"volume": 670.5643870386278,
"volume_molar": 67.3038854564956,
"formula_full": "Ce2 Si4",
"formula_reduced": "CeSi2",
"formula_anonymous": "AB2",
"formation_energy": 1.8127786025,
"spacegroup": 227
},
{
"id": "oqmd-1238571",
"created_at": "2022-09-04T15:40:45.985524Z",
"updated_at": "2022-09-04T15:40:45.985545Z",
"structure_string": "Ca4 Zr2\n1.0\n0.000000 6.946334 6.946334\n6.946334 0.000000 6.946334\n6.946334 6.946334 0.000000\nCa Zr\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.875001 0.375000 0.375000 Ca\n0.375000 0.875001 0.375000 Ca\n0.375000 0.375000 0.875001 Ca\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Zr"
],
"chemical_system": "Ca-Zr",
"density": 0.8490675655101729,
"density_atomic": 0.008950643708752124,
"volume": 670.3428485409464,
"volume_molar": 67.28164985621567,
"formula_full": "Ca4 Zr2",
"formula_reduced": "Ca2Zr",
"formula_anonymous": "AB2",
"formation_energy": 2.02871389833333,
"spacegroup": 227
},
{
"id": "oqmd-1240148",
"created_at": "2022-09-04T15:40:53.006093Z",
"updated_at": "2022-09-04T15:40:53.006117Z",
"structure_string": "Sn2 I4\n1.0\n4.911175 2.835468 8.019915\n-4.911175 2.835468 8.019915\n0.000000 -5.670936 8.019915\nI Sn\n4 2\ndirect\n0.375000 0.375000 0.375000 I\n0.874999 0.375000 0.375000 I\n0.375000 0.874999 0.375000 I\n0.375000 0.375000 0.874999 I\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Sn"
],
"chemical_system": "I-Sn",
"density": 1.846274518822675,
"density_atomic": 0.008954061533993743,
"volume": 670.086974187215,
"volume_molar": 67.25596799996492,
"formula_full": "Sn2 I4",
"formula_reduced": "SnI2",
"formula_anonymous": "AB2",
"formation_energy": -0.502983162235945,
"spacegroup": 227
},
{
"id": "oqmd-1238337",
"created_at": "2022-09-04T15:40:46.542078Z",
"updated_at": "2022-09-04T15:40:46.542090Z",
"structure_string": "Y2 Pb4\n1.0\n4.910756 2.835226 8.019231\n-4.910756 2.835226 8.019231\n0.000000 -5.670453 8.019231\nPb Y\n4 2\ndirect\n0.874999 0.375000 0.375000 Pb\n0.375000 0.874999 0.375000 Pb\n0.375000 0.375000 0.375000 Pb\n0.375000 0.375000 0.874999 Pb\n0.250001 0.250001 0.250001 Y\n0.500001 0.500001 0.500001 Y\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Y"
],
"chemical_system": "Pb-Y",
"density": 2.4951175294391708,
"density_atomic": 0.008956352671175257,
"volume": 669.915558295303,
"volume_molar": 67.23876315613833,
"formula_full": "Y2 Pb4",
"formula_reduced": "YPb2",
"formula_anonymous": "AB2",
"formation_energy": 1.18234788666667,
"spacegroup": 227
},
{
"id": "oqmd-1241583",
"created_at": "2022-09-04T15:41:24.316838Z",
"updated_at": "2022-09-04T15:41:24.316866Z",
"structure_string": "Ac2 Pm4\n1.0\n4.909629 2.834576 8.017391\n-4.909629 2.834576 8.017391\n0.000000 -5.669152 8.017391\nAc Pm\n2 4\ndirect\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Ac\n0.625001 0.625001 0.125000 Pm\n0.625001 0.125000 0.625001 Pm\n0.125000 0.625001 0.625001 Pm\n0.625001 0.625001 0.625001 Pm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ac",
"Pm"
],
"chemical_system": "Ac-Pm",
"density": 2.564770680709525,
"density_atomic": 0.008962520345275463,
"volume": 669.4545472538719,
"volume_molar": 67.19249193308147,
"formula_full": "Ac2 Pm4",
"formula_reduced": "AcPm2",
"formula_anonymous": "AB2",
"formation_energy": 2.34579907416667,
"spacegroup": 227
},
{
"id": "oqmd-1237981",
"created_at": "2022-09-04T15:40:44.202039Z",
"updated_at": "2022-09-04T15:40:44.202071Z",
"structure_string": "Ca4 Te2\n1.0\n4.908750 2.834068 8.015955\n-4.908750 2.834068 8.015955\n0.000000 -5.668136 8.015955\nCa Te\n4 2\ndirect\n0.625000 0.625000 0.124999 Ca\n0.625000 0.124999 0.625000 Ca\n0.124999 0.625000 0.625000 Ca\n0.625000 0.625000 0.625000 Ca\n0.500001 0.500001 0.500001 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 1.0312048968118313,
"density_atomic": 0.008967338189724755,
"volume": 669.0948721968704,
"volume_molar": 67.1563917027294,
"formula_full": "Ca4 Te2",
"formula_reduced": "Ca2Te",
"formula_anonymous": "AB2",
"formation_energy": -0.128128457777777,
"spacegroup": 227
},
{
"id": "oqmd-1237475",
"created_at": "2022-09-04T15:40:43.343416Z",
"updated_at": "2022-09-04T15:40:43.343442Z",
"structure_string": "Cs4 Ni2\n1.0\n4.906009 2.832486 8.011479\n-4.906009 2.832486 8.011479\n0.000000 -5.664971 8.011479\nCs Ni\n4 2\ndirect\n0.625000 0.625000 0.125000 Cs\n0.625000 0.125000 0.625000 Cs\n0.125000 0.625000 0.625000 Cs\n0.625000 0.625000 0.625000 Cs\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"Ni"
],
"chemical_system": "Cs-Ni",
"density": 1.6133906796609965,
"density_atomic": 0.008982376193509443,
"volume": 667.9746951965258,
"volume_molar": 67.0439606431929,
"formula_full": "Cs4 Ni2",
"formula_reduced": "Cs2Ni",
"formula_anonymous": "AB2",
"formation_energy": 0.777814216666667,
"spacegroup": 227
},
{
"id": "oqmd-1241530",
"created_at": "2022-09-04T15:41:10.130204Z",
"updated_at": "2022-09-04T15:41:10.130230Z",
"structure_string": "Li2 Yb4\n1.0\n4.905522 2.832204 8.010683\n-4.905522 2.832204 8.010683\n0.000000 -5.664409 8.010683\nLi Yb\n2 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.624999 0.624999 0.125002 Yb\n0.624999 0.624999 0.624999 Yb\n0.624999 0.125002 0.624999 Yb\n0.125002 0.624999 0.624999 Yb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Yb"
],
"chemical_system": "Li-Yb",
"density": 1.7556948159404004,
"density_atomic": 0.008985052999835024,
"volume": 667.7756937115637,
"volume_molar": 67.02398706062806,
"formula_full": "Li2 Yb4",
"formula_reduced": "LiYb2",
"formula_anonymous": "AB2",
"formation_energy": 0.909053985,
"spacegroup": 227
},
{
"id": "oqmd-1238650",
"created_at": "2022-09-04T15:40:47.061165Z",
"updated_at": "2022-09-04T15:40:47.061182Z",
"structure_string": "Nd4 Te2\n1.0\n4.904898 2.831844 8.009665\n-4.904898 2.831844 8.009665\n0.000000 -5.663689 8.009665\nNd Te\n4 2\ndirect\n0.875000 0.875000 0.375001 Nd\n0.875000 0.375001 0.875000 Nd\n0.375001 0.875000 0.875000 Nd\n0.875000 0.875000 0.875000 Nd\n0.000000 0.000000 0.000000 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Te"
],
"chemical_system": "Nd-Te",
"density": 2.0701182275373564,
"density_atomic": 0.008988480710899608,
"volume": 667.5210408722669,
"volume_molar": 66.99842780657507,
"formula_full": "Nd4 Te2",
"formula_reduced": "Nd2Te",
"formula_anonymous": "AB2",
"formation_energy": 0.79875167888889,
"spacegroup": 227
},
{
"id": "oqmd-1237740",
"created_at": "2022-09-04T15:40:43.483603Z",
"updated_at": "2022-09-04T15:40:43.483628Z",
"structure_string": "Al4 Te2\n1.0\n4.903605 2.831098 8.007554\n-4.903605 2.831098 8.007554\n0.000000 -5.662196 8.007554\nAl Te\n4 2\ndirect\n0.875000 0.875000 0.374999 Al\n0.875000 0.374999 0.875000 Al\n0.374999 0.875000 0.875000 Al\n0.875000 0.875000 0.875000 Al\n0.000000 0.000000 0.000000 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Te"
],
"chemical_system": "Al-Te",
"density": 0.9040347389233119,
"density_atomic": 0.008995591838769697,
"volume": 666.993357139757,
"volume_molar": 66.9454647113428,
"formula_full": "Al4 Te2",
"formula_reduced": "Al2Te",
"formula_anonymous": "AB2",
"formation_energy": 1.09420754388889,
"spacegroup": 227
}
]
}