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=elements&page=38",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=36",
"results": [
{
"id": "oqmd-629873",
"created_at": "2022-09-04T15:15:51.527756Z",
"updated_at": "2022-09-04T15:15:51.527783Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.867925\n2.238664 2.238664 1.933963\n2.238664 -2.238664 -1.933963\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7166006296110228,
"density_atomic": 0.02579372878834937,
"volume": 38.769113539399726,
"volume_molar": 23.347305887468693,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.03093144,
"spacegroup": 139
},
{
"id": "oqmd-594032",
"created_at": "2022-09-04T15:15:50.989635Z",
"updated_at": "2022-09-04T15:15:50.989662Z",
"structure_string": "Ca1\n1.0\n2.128902 2.128902 -2.128902\n-2.128902 -2.128902 -2.128902\n-2.128902 2.128902 2.128902\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7243607829941203,
"density_atomic": 0.025910333249670677,
"volume": 38.59464061554323,
"volume_molar": 23.242235836841438,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.02818279,
"spacegroup": 229
},
{
"id": "oqmd-1215671",
"created_at": "2022-09-04T15:39:06.291600Z",
"updated_at": "2022-09-04T15:39:06.291627Z",
"structure_string": "Ca1\n1.0\n-3.765482 0.000000 -0.000000\n0.000000 -3.765482 -0.000000\n1.882740 1.882740 2.833053\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6567588048950905,
"density_atomic": 0.024894542471918586,
"volume": 40.16944682265259,
"volume_molar": 24.190606301734864,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0037563999999998,
"spacegroup": 139
},
{
"id": "oqmd-629870",
"created_at": "2022-09-04T15:17:08.136576Z",
"updated_at": "2022-09-04T15:17:08.136603Z",
"structure_string": "Ca4\n1.0\n0.000000 0.000000 6.402077\n3.612949 -3.612949 3.201037\n3.612949 3.612949 -3.201037\nCa\n4\ndirect\n0.328186 0.500000 0.156372 Ca\n0.828185 0.843627 0.499999 Ca\n0.171814 0.156372 0.500000 Ca\n0.671814 0.499999 0.843627 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5927241988271656,
"density_atomic": 0.02393235520861838,
"volume": 167.13774992607262,
"volume_molar": 25.16317640911222,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.1637786275,
"spacegroup": 140
},
{
"id": "oqmd-594030",
"created_at": "2022-09-04T15:15:51.017125Z",
"updated_at": "2022-09-04T15:15:51.017149Z",
"structure_string": "Ca2\n1.0\n3.837161 0.000000 0.000000\n-1.918580 3.322925 0.000000\n0.000000 0.000000 6.343288\nCa\n2\ndirect\n0.333301 0.666602 0.250000 Ca\n0.666698 0.333396 0.749999 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6456601143714362,
"density_atomic": 0.024727772980905505,
"volume": 80.88071665589847,
"volume_molar": 24.353753023574853,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0026094049999998,
"spacegroup": 194
},
{
"id": "oqmd-629869",
"created_at": "2022-09-04T15:15:50.212229Z",
"updated_at": "2022-09-04T15:15:50.212256Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.889342\n2.238974 2.238974 1.944672\n2.238974 -2.238974 -1.944672\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7066753209569807,
"density_atomic": 0.025644590593275406,
"volume": 38.99457846140163,
"volume_molar": 23.483084037142486,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.02773549,
"spacegroup": 139
},
{
"id": "oqmd-632881",
"created_at": "2022-09-04T15:15:50.225986Z",
"updated_at": "2022-09-04T15:15:50.226017Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.332771\n-2.820563 -1.974549 0.000000\n-2.820563 1.974549 0.000000\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7927343873763704,
"density_atomic": 0.026937718523388818,
"volume": 37.122668689694144,
"volume_molar": 22.35579362361829,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.31257735,
"spacegroup": 65
},
{
"id": "oqmd-1214869",
"created_at": "2022-09-04T15:39:03.976453Z",
"updated_at": "2022-09-04T15:39:03.976478Z",
"structure_string": "Ca20\n1.0\n9.333275 0.000000 0.000000\n0.000000 9.333275 0.000000\n0.000000 0.000000 9.333275\nCa\n20\ndirect\n0.875000 0.701110 0.048891 Ca\n0.061493 0.061493 0.061493 Ca\n0.201109 0.451110 0.125000 Ca\n0.811493 0.311493 0.188507 Ca\n0.451110 0.125000 0.201109 Ca\n0.548891 0.625000 0.298891 Ca\n0.188507 0.811493 0.311493 Ca\n0.798891 0.951109 0.375000 Ca\n0.938508 0.561493 0.438507 Ca\n0.125000 0.201109 0.451110 Ca\n0.625000 0.298891 0.548891 Ca\n0.438507 0.938508 0.561493 Ca\n0.298891 0.548891 0.625000 Ca\n0.688507 0.688507 0.688507 Ca\n0.048891 0.875000 0.701110 Ca\n0.951109 0.375000 0.798891 Ca\n0.311493 0.188507 0.811493 Ca\n0.701110 0.048891 0.875000 Ca\n0.561493 0.438507 0.938508 Ca\n0.375000 0.798891 0.951109 Ca\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6371291719297034,
"density_atomic": 0.02459958660379755,
"volume": 813.0217926878702,
"volume_molar": 24.480658382569466,
"formula_full": "Ca20",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0378453614999998,
"spacegroup": 213
},
{
"id": "oqmd-1215760",
"created_at": "2022-09-04T15:39:06.469343Z",
"updated_at": "2022-09-04T15:39:06.469380Z",
"structure_string": "Ca2\n1.0\n1.970893 -3.413686 0.000000\n-1.970893 -3.413686 0.000000\n0.000000 2.275791 -5.604634\nCa\n2\ndirect\n0.749989 0.749989 0.249968 Ca\n0.250010 0.250010 0.750031 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7649047146542503,
"density_atomic": 0.026519548438815592,
"volume": 75.41606542110954,
"volume_molar": 22.708308076564514,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.07172373,
"spacegroup": 166
},
{
"id": "oqmd-592609",
"created_at": "2022-09-04T15:15:50.338548Z",
"updated_at": "2022-09-04T15:15:50.338596Z",
"structure_string": "Ca1\n1.0\n2.162194 2.162194 2.162194\n2.162194 -2.162194 -2.162194\n-2.162194 2.162194 -2.162194\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6459292889659798,
"density_atomic": 0.02473181761211943,
"volume": 40.433744728489586,
"volume_molar": 24.349770220887226,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0159459799999999,
"spacegroup": 229
},
{
"id": "oqmd-1215047",
"created_at": "2022-09-04T15:39:03.992199Z",
"updated_at": "2022-09-04T15:39:03.992222Z",
"structure_string": "Ca4\n1.0\n0.000000 0.000000 4.067574\n5.943150 0.000000 0.000000\n2.971574 6.586188 0.000000\nCa\n4\ndirect\n0.501495 0.867946 0.264107 Ca\n0.998504 0.367946 0.264107 Ca\n0.001497 0.632054 0.735893 Ca\n0.498503 0.132053 0.735893 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6719714301587532,
"density_atomic": 0.02512312815657992,
"volume": 159.2158418756612,
"volume_molar": 23.970505274928353,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.147536535,
"spacegroup": 69
},
{
"id": "oqmd-1215314",
"created_at": "2022-09-04T15:39:06.338771Z",
"updated_at": "2022-09-04T15:39:06.338812Z",
"structure_string": "Ca2\n1.0\n3.832125 0.000000 0.000000\n-1.916062 3.318717 0.000000\n0.000000 0.000000 6.325915\nCa\n2\ndirect\n0.333334 0.666667 0.250000 Ca\n0.666666 0.333334 0.750001 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6544433274358614,
"density_atomic": 0.02485974998928247,
"volume": 80.45133200704913,
"volume_molar": 24.22446228379716,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0038652449999998,
"spacegroup": 194
}
]
}