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=37",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=35",
"results": [
{
"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-629199",
"created_at": "2022-09-04T15:15:51.304062Z",
"updated_at": "2022-09-04T15:15:51.304089Z",
"structure_string": "Ca8\n1.0\n4.438657 0.000000 0.000000\n0.000000 4.438657 0.000000\n0.000000 0.000000 15.826443\nCa\n8\ndirect\n0.502046 0.004920 0.062367 Ca\n0.997955 0.504923 0.187633 Ca\n0.495078 0.002046 0.312366 Ca\n0.995076 0.497952 0.437633 Ca\n0.497952 0.995076 0.562367 Ca\n0.002046 0.495078 0.687633 Ca\n0.504923 0.997955 0.812366 Ca\n0.004920 0.502046 0.937633 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7074918347328594,
"density_atomic": 0.025656859571000144,
"volume": 311.807451643161,
"volume_molar": 23.47185454765011,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0251400675,
"spacegroup": 139
},
{
"id": "oqmd-1214513",
"created_at": "2022-09-04T15:39:02.839594Z",
"updated_at": "2022-09-04T15:39:02.839620Z",
"structure_string": "Ca1\n1.0\n0.000000 2.713472 -2.713472\n2.713472 0.000000 2.713472\n0.000000 -2.713472 -2.713472\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.665517150763537,
"density_atomic": 0.025026145824537917,
"volume": 39.958210385696255,
"volume_molar": 24.063396746035675,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0022137099999999,
"spacegroup": 225
},
{
"id": "oqmd-632880",
"created_at": "2022-09-04T15:15:51.560955Z",
"updated_at": "2022-09-04T15:15:51.560968Z",
"structure_string": "Ca2\n1.0\n3.878489 0.000000 0.000000\n0.000000 -5.020240 0.000000\n0.000000 0.000000 -3.974351\nCa\n2\ndirect\n0.749408 0.250000 0.380799 Ca\n0.250592 0.750000 0.880803 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.720013559115922,
"density_atomic": 0.025845011641509614,
"volume": 77.38437218530034,
"volume_molar": 23.300979096205374,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.01744645,
"spacegroup": 139
},
{
"id": "oqmd-1277932",
"created_at": "2022-09-04T15:42:08.276706Z",
"updated_at": "2022-09-04T15:42:08.276728Z",
"structure_string": "Ca28\n1.0\n8.224058 -8.224058 0.000000\n8.224058 8.224058 0.000000\n-8.224058 0.000000 8.224058\nCa\n28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.707546 0.062746 0.000000 Ca\n0.437253 0.207545 0.000000 Ca\n0.937254 0.292454 0.000000 Ca\n0.207545 0.437253 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.792454 0.562746 0.000000 Ca\n0.062746 0.707546 0.000000 Ca\n0.562746 0.792454 0.000000 Ca\n0.292454 0.937254 0.000000 Ca\n0.292454 0.292454 0.229708 Ca\n0.792455 0.437254 0.229708 Ca\n0.437254 0.792455 0.229708 Ca\n0.937254 0.937254 0.229708 Ca\n0.292453 0.062746 0.355200 Ca\n0.062746 0.292453 0.355200 Ca\n0.562746 0.562746 0.355200 Ca\n0.792454 0.792454 0.355200 Ca\n0.750000 0.249999 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.207545 0.207545 0.644799 Ca\n0.437254 0.437254 0.644799 Ca\n0.937253 0.707546 0.644799 Ca\n0.707546 0.937253 0.644799 Ca\n0.062747 0.062747 0.770293 Ca\n0.562746 0.207545 0.770293 Ca\n0.207545 0.562746 0.770293 Ca\n0.707546 0.707546 0.770293 Ca\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6750380641151446,
"density_atomic": 0.025169207555130652,
"volume": 1112.4704637072414,
"volume_molar": 23.926620442098137,
"formula_full": "Ca28",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.18410432035714,
"spacegroup": 226
},
{
"id": "oqmd-636456",
"created_at": "2022-09-04T15:15:50.423976Z",
"updated_at": "2022-09-04T15:15:50.424005Z",
"structure_string": "Ca2\n1.0\n3.799722 0.000000 0.000000\n-1.899861 3.290552 0.000000\n0.000000 0.000000 6.342060\nCa\n2\ndirect\n0.333301 0.666602 0.249999 Ca\n0.666698 0.333397 0.749999 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.67854970480088,
"density_atomic": 0.025221973647538837,
"volume": 79.29593567691164,
"volume_molar": 23.876564317113388,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0077848099999999,
"spacegroup": 194
},
{
"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-636455",
"created_at": "2022-09-04T15:15:50.290068Z",
"updated_at": "2022-09-04T15:15:50.290096Z",
"structure_string": "Ca1\n1.0\n2.130951 2.130951 2.130951\n2.130951 -2.130951 -2.130951\n-2.130951 2.130951 -2.130951\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7193914256557055,
"density_atomic": 0.02583566343234193,
"volume": 38.706186222729905,
"volume_molar": 23.30941017160522,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0271434899999998,
"spacegroup": 229
},
{
"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-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-629879",
"created_at": "2022-09-04T15:15:51.307853Z",
"updated_at": "2022-09-04T15:15:51.307868Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.863202\n-2.236158 -2.236158 1.931601\n-2.236158 2.236158 -1.931601\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7225536339148746,
"density_atomic": 0.02588317893525059,
"volume": 38.63513065769865,
"volume_molar": 23.266619510165267,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.03237282,
"spacegroup": 139
},
{
"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
}
]
}