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=formula_anonymous&page=49",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=47",
"results": [
{
"id": "oqmd-1215227",
"created_at": "2022-09-04T15:39:05.372188Z",
"updated_at": "2022-09-04T15:39:05.372217Z",
"structure_string": "Ce2\n1.0\n3.708070 0.000000 0.000000\n1.854035 3.275798 0.000000\n0.000000 0.000000 6.138393\nCe\n2\ndirect\n0.843640 0.312721 0.250000 Ce\n0.156359 0.687280 0.750001 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.240898169333938,
"density_atomic": 0.02682318026317006,
"volume": 74.5623740502586,
"volume_molar": 22.451255596521428,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.0296239224999999,
"spacegroup": 63
},
{
"id": "oqmd-1215728",
"created_at": "2022-09-04T15:39:05.370625Z",
"updated_at": "2022-09-04T15:39:05.370655Z",
"structure_string": "Si1\n1.0\n0.000000 -2.659323 0.000000\n-2.659323 0.000000 0.000000\n1.329661 1.329661 -2.043536\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2270581041972366,
"density_atomic": 0.06919512969642845,
"volume": 14.451884177212774,
"volume_molar": 8.70312807623921,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.534105954999999,
"spacegroup": 139
},
{
"id": "oqmd-1214747",
"created_at": "2022-09-04T15:39:05.340759Z",
"updated_at": "2022-09-04T15:39:05.340776Z",
"structure_string": "Se4\n1.0\n-2.446528 -3.970269 0.000000\n-2.446528 3.970269 0.000000\n0.000000 0.000000 -5.834981\nSe\n4\ndirect\n0.118840 0.881161 0.105771 Se\n0.618840 0.381161 0.394229 Se\n0.381161 0.618840 0.605772 Se\n0.881161 0.118840 0.894229 Se\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.626756707699104,
"density_atomic": 0.03528746221589037,
"volume": 113.35470869307093,
"volume_molar": 17.06595028896172,
"formula_full": "Se4",
"formula_reduced": "Se",
"formula_anonymous": "A",
"formation_energy": 0.229119935,
"spacegroup": 64
},
{
"id": "oqmd-1215691",
"created_at": "2022-09-04T15:39:05.331361Z",
"updated_at": "2022-09-04T15:39:05.331391Z",
"structure_string": "Ho1\n1.0\n-3.519095 0.000000 0.000000\n0.000000 -3.519095 0.000000\n1.759547 1.759547 2.468742\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.958017600163725,
"density_atomic": 0.032708626853683476,
"volume": 30.57297404973102,
"volume_molar": 18.411475317930744,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"formation_energy": 0.0198182066666694,
"spacegroup": 225
},
{
"id": "oqmd-1215520",
"created_at": "2022-09-04T15:39:05.357879Z",
"updated_at": "2022-09-04T15:39:05.357908Z",
"structure_string": "Li2\n1.0\n0.000000 2.652531 -2.652531\n2.652531 0.000000 2.652531\n0.000000 -2.652531 -2.652531\nLi\n2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250001 0.500002 0.750003 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.6175750430540569,
"density_atomic": 0.053581959954182974,
"volume": 37.32599557220688,
"volume_molar": 11.239119967148328,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"formation_energy": 0.553372405,
"spacegroup": 227
},
{
"id": "oqmd-1215665",
"created_at": "2022-09-04T15:39:05.358718Z",
"updated_at": "2022-09-04T15:39:05.358749Z",
"structure_string": "B1\n1.0\n0.000000 -2.004372 0.000000\n-2.004372 0.000000 0.000000\n1.002186 1.002186 -1.453652\nB\n1\ndirect\n0.000000 0.000000 0.000000 B\n",
"nsites": 1,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 3.0739575101530097,
"density_atomic": 0.17123119806491388,
"volume": 5.84005725183853,
"volume_molar": 3.51696468170304,
"formula_full": "B1",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 1.35314628,
"spacegroup": 225
},
{
"id": "oqmd-1214768",
"created_at": "2022-09-04T15:39:05.396345Z",
"updated_at": "2022-09-04T15:39:05.396376Z",
"structure_string": "Ac29\n1.0\n6.874421 6.874421 6.874421\n6.874421 -6.874421 -6.874421\n-6.874421 6.874421 -6.874421\nAc\n29\ndirect\n0.000000 0.000000 0.000000 Ac\n0.641554 0.000000 0.000000 Ac\n0.377387 0.189049 0.000000 Ac\n0.189049 0.377387 0.000000 Ac\n0.684655 0.416141 0.000000 Ac\n0.000000 0.641554 0.000000 Ac\n0.416141 0.684655 0.000000 Ac\n0.810951 0.810951 0.188337 Ac\n0.377387 0.000000 0.189049 Ac\n0.000000 0.377387 0.189049 Ac\n0.583859 0.583859 0.268514 Ac\n0.731487 0.315346 0.315346 Ac\n0.315346 0.731487 0.315346 Ac\n0.358446 0.358446 0.358446 Ac\n0.189049 0.000000 0.377387 Ac\n0.000000 0.189049 0.377387 Ac\n0.684655 0.000000 0.416141 Ac\n0.000000 0.684655 0.416141 Ac\n0.583859 0.268514 0.583859 Ac\n0.268514 0.583859 0.583859 Ac\n0.811663 0.622613 0.622613 Ac\n0.622613 0.811663 0.622613 Ac\n0.000000 0.000000 0.641554 Ac\n0.416141 0.000000 0.684655 Ac\n0.000000 0.416141 0.684655 Ac\n0.315346 0.315346 0.731487 Ac\n0.810951 0.188337 0.810951 Ac\n0.188337 0.810951 0.810951 Ac\n0.622613 0.622613 0.811663 Ac\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.412103061112218,
"density_atomic": 0.022316682263943295,
"volume": 1299.476313594106,
"volume_molar": 26.984928533619335,
"formula_full": "Ac29",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"formation_energy": 0.14586543353448,
"spacegroup": 217
},
{
"id": "oqmd-1215249",
"created_at": "2022-09-04T15:39:05.380326Z",
"updated_at": "2022-09-04T15:39:05.380351Z",
"structure_string": "K2\n1.0\n4.726094 0.000000 0.000000\n2.363046 3.986417 0.000000\n0.000000 0.000000 7.652735\nK\n2\ndirect\n0.820121 0.359757 0.250000 K\n0.179880 0.640242 0.750000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9006067785990638,
"density_atomic": 0.013871653734326023,
"volume": 144.17891610507198,
"volume_molar": 43.413286370448716,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 1.82999999998046e-06,
"spacegroup": 63
},
{
"id": "oqmd-1215255",
"created_at": "2022-09-04T15:39:05.398749Z",
"updated_at": "2022-09-04T15:39:05.398775Z",
"structure_string": "Mn2\n1.0\n2.414475 0.000000 0.000000\n1.207237 2.171518 0.000000\n0.000000 0.000000 3.987478\nMn\n2\ndirect\n0.840672 0.318653 0.250000 Mn\n0.159329 0.681344 0.750000 Mn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.727057698976582,
"density_atomic": 0.09566334204655581,
"volume": 20.906649895491565,
"volume_molar": 6.295139424534475,
"formula_full": "Mn2",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"formation_energy": 0.0594517862068997,
"spacegroup": 63
},
{
"id": "oqmd-1215670",
"created_at": "2022-09-04T15:39:05.399669Z",
"updated_at": "2022-09-04T15:39:05.399691Z",
"structure_string": "C1\n1.0\n-1.622646 0.000000 0.000000\n0.000000 -1.622646 0.000000\n0.811323 0.811323 3.190164\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.374416163357066,
"density_atomic": 0.11905274766247477,
"volume": 8.399638140524818,
"volume_molar": 5.058380321530512,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 2.6052733825,
"spacegroup": 139
},
{
"id": "oqmd-1214757",
"created_at": "2022-09-04T15:39:05.379835Z",
"updated_at": "2022-09-04T15:39:05.379852Z",
"structure_string": "Ti4\n1.0\n-2.127075 -4.602545 0.000000\n-2.127075 4.602545 0.000000\n0.000000 0.000000 -3.511687\nTi\n4\ndirect\n0.854690 0.145308 0.000518 Ti\n0.354689 0.645309 0.499481 Ti\n0.645309 0.354689 0.500520 Ti\n0.145308 0.854690 0.999482 Ti\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.624008844674755,
"density_atomic": 0.05817459240758662,
"volume": 68.75853932890392,
"volume_molar": 10.351840057266383,
"formula_full": "Ti4",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.24152142166667,
"spacegroup": 69
},
{
"id": "oqmd-682988",
"created_at": "2022-09-04T15:39:33.697693Z",
"updated_at": "2022-09-04T15:39:33.697722Z",
"structure_string": "Pr1\n1.0\n2.618814 -2.618814 0.000000\n-2.618814 0.000000 -2.618814\n2.618814 2.618814 0.000000\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.51387937368306,
"density_atomic": 0.02783915457786445,
"volume": 35.920631037952674,
"volume_molar": 21.63190962985759,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"formation_energy": 0.0064581925000002,
"spacegroup": 225
}
]
}