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=42",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=40",
"results": [
{
"id": "oqmd-1215137",
"created_at": "2022-09-04T15:39:04.581246Z",
"updated_at": "2022-09-04T15:39:04.581275Z",
"structure_string": "Cd1\n1.0\n1.769998 1.769998 1.769998\n1.769998 -1.769998 -1.769998\n-1.769998 1.769998 -1.769998\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.41549353167171,
"density_atomic": 0.045083921173292865,
"volume": 22.180856810484958,
"volume_molar": 13.357624189014505,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.05775938,
"spacegroup": 229
},
{
"id": "oqmd-1214781",
"created_at": "2022-09-04T15:39:03.621105Z",
"updated_at": "2022-09-04T15:39:03.621137Z",
"structure_string": "Cd29\n1.0\n5.442411 5.442411 5.442411\n5.442411 -5.442411 -5.442411\n-5.442411 5.442411 -5.442411\nCd\n29\ndirect\n0.000000 0.000000 0.000000 Cd\n0.667961 0.000000 0.000000 Cd\n0.384352 0.190871 0.000000 Cd\n0.190871 0.384352 0.000000 Cd\n0.690659 0.419088 0.000000 Cd\n0.000000 0.667961 0.000000 Cd\n0.419088 0.690659 0.000000 Cd\n0.384352 0.000000 0.190871 Cd\n0.000000 0.384352 0.190871 Cd\n0.809129 0.809129 0.193480 Cd\n0.580913 0.580913 0.271571 Cd\n0.728429 0.309342 0.309342 Cd\n0.309342 0.728429 0.309342 Cd\n0.332038 0.332038 0.332038 Cd\n0.190871 0.000000 0.384352 Cd\n0.000000 0.190871 0.384352 Cd\n0.690659 0.000000 0.419088 Cd\n0.000000 0.690659 0.419088 Cd\n0.580913 0.271571 0.580913 Cd\n0.271571 0.580913 0.580913 Cd\n0.806519 0.615648 0.615648 Cd\n0.615648 0.806519 0.615648 Cd\n0.000000 0.000000 0.667961 Cd\n0.419088 0.000000 0.690659 Cd\n0.000000 0.419088 0.690659 Cd\n0.309342 0.309342 0.728429 Cd\n0.615648 0.615648 0.806519 Cd\n0.809129 0.193480 0.809129 Cd\n0.193480 0.809129 0.809129 Cd\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.395023344037027,
"density_atomic": 0.04497425721570661,
"volume": 644.8133175587427,
"volume_molar": 13.390195042280444,
"formula_full": "Cd29",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.027343595862069,
"spacegroup": 217
},
{
"id": "oqmd-1522186",
"created_at": "2022-09-04T15:54:09.775841Z",
"updated_at": "2022-09-04T15:54:09.775869Z",
"structure_string": "Cd1\n1.0\n-1.772071 1.772071 1.772071\n1.772071 -1.772071 1.772071\n1.772071 1.772071 -1.772071\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.385994287780298,
"density_atomic": 0.04492588628427929,
"volume": 22.258881965561255,
"volume_molar": 13.404612035683536,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.05655459,
"spacegroup": 229
},
{
"id": "oqmd-1215048",
"created_at": "2022-09-04T15:39:03.890330Z",
"updated_at": "2022-09-04T15:39:03.890359Z",
"structure_string": "Cd4\n1.0\n0.000000 0.000000 3.510404\n4.701146 -0.000000 0.000000\n2.350572 5.520927 0.000000\nCd\n4\ndirect\n0.999577 0.367350 0.265300 Cd\n0.500421 0.867351 0.265300 Cd\n0.499578 0.132650 0.734699 Cd\n0.000422 0.632651 0.734699 Cd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.194926365048472,
"density_atomic": 0.0439022872363129,
"volume": 91.11142611930889,
"volume_molar": 13.717145823370466,
"formula_full": "Cd4",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.0786989575,
"spacegroup": 69
},
{
"id": "oqmd-1215049",
"created_at": "2022-09-04T15:39:04.305816Z",
"updated_at": "2022-09-04T15:39:04.305841Z",
"structure_string": "Ce4\n1.0\n0.000000 0.000000 3.803759\n6.089006 0.000000 0.000000\n3.044503 6.436131 0.000000\nCe\n4\ndirect\n0.957916 0.365443 0.269112 Ce\n0.542082 0.865445 0.269112 Ce\n0.457916 0.134556 0.730888 Ce\n0.042082 0.634557 0.730888 Ce\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.243276215584577,
"density_atomic": 0.026833401029720698,
"volume": 149.06794690578346,
"volume_molar": 22.44270397677086,
"formula_full": "Ce4",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.156994697499999,
"spacegroup": 64
},
{
"id": "oqmd-1522038",
"created_at": "2022-09-04T15:54:09.681872Z",
"updated_at": "2022-09-04T15:54:09.681915Z",
"structure_string": "Ce1\n1.0\n-2.102580 2.102580 2.102580\n2.102580 -2.102580 2.102580\n2.102580 2.102580 -2.102580\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.257764997228112,
"density_atomic": 0.026895673348748098,
"volume": 37.180701409974056,
"volume_molar": 22.390741744639424,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.1206497324999995,
"spacegroup": 229
},
{
"id": "oqmd-1216029",
"created_at": "2022-09-04T15:39:06.025347Z",
"updated_at": "2022-09-04T15:39:06.025378Z",
"structure_string": "Ce3\n1.0\n-3.790999 0.000000 0.000000\n1.895500 -3.283102 0.000000\n-1.895500 1.094367 9.129323\nCe\n3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.222542 0.777456 0.332371 Ce\n0.777457 0.222543 0.667629 Ce\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.143013424781432,
"density_atomic": 0.026402474769039806,
"volume": 113.62571221989668,
"volume_molar": 22.809001098115665,
"formula_full": "Ce3",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.0061528624999995,
"spacegroup": 166
},
{
"id": "oqmd-1214960",
"created_at": "2022-09-04T15:39:03.582602Z",
"updated_at": "2022-09-04T15:39:03.582634Z",
"structure_string": "Ce8\n1.0\n6.630390 0.000000 0.000000\n0.000000 6.630390 0.000000\n0.000000 0.000000 6.630390\nCe\n8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.250000 0.000000 Ce\n0.499999 0.750000 0.000000 Ce\n0.000000 0.499999 0.250000 Ce\n0.250000 0.000000 0.499999 Ce\n0.750000 0.000000 0.499999 Ce\n0.499999 0.499999 0.499999 Ce\n0.000000 0.499999 0.750000 Ce\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.385715886319924,
"density_atomic": 0.02744560216825787,
"volume": 291.4856795983284,
"volume_molar": 21.94209740081742,
"formula_full": "Ce8",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.15581407875,
"spacegroup": 223
},
{
"id": "oqmd-1214871",
"created_at": "2022-09-04T15:39:03.703322Z",
"updated_at": "2022-09-04T15:39:03.703367Z",
"structure_string": "Ce20\n1.0\n9.031929 0.000000 0.000000\n0.000000 9.031929 0.000000\n0.000000 0.000000 9.031929\nCe\n20\ndirect\n0.875000 0.705849 0.044151 Ce\n0.063144 0.063144 0.063144 Ce\n0.205849 0.455848 0.125000 Ce\n0.813144 0.313144 0.186856 Ce\n0.455848 0.125000 0.205849 Ce\n0.544152 0.625000 0.294151 Ce\n0.186856 0.813144 0.313144 Ce\n0.794151 0.955849 0.375000 Ce\n0.936856 0.563144 0.436856 Ce\n0.125000 0.205849 0.455848 Ce\n0.625000 0.294151 0.544152 Ce\n0.436856 0.936856 0.563144 Ce\n0.294151 0.544152 0.625000 Ce\n0.686855 0.686855 0.686855 Ce\n0.044151 0.875000 0.705849 Ce\n0.955849 0.375000 0.794151 Ce\n0.313144 0.186856 0.813144 Ce\n0.705849 0.044151 0.875000 Ce\n0.563144 0.436856 0.936856 Ce\n0.375000 0.794151 0.955849 Ce\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.315755064318305,
"density_atomic": 0.027144912798075557,
"volume": 736.7863049984785,
"volume_molar": 22.185154193705646,
"formula_full": "Ce20",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.124881934499999,
"spacegroup": 213
},
{
"id": "oqmd-656248",
"created_at": "2022-09-04T15:16:14.107198Z",
"updated_at": "2022-09-04T15:16:14.107209Z",
"structure_string": "Ce2\n1.0\n3.731300 0.010552 0.000000\n1.874941 3.278593 0.000000\n0.000000 0.000000 6.134792\nCe\n2\ndirect\n0.841938 0.316217 0.250000 Ce\n0.158057 0.683782 0.749999 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.210438038216207,
"density_atomic": 0.026692263596106755,
"volume": 74.92807767310201,
"volume_molar": 22.561371531181678,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.0284376224999994,
"spacegroup": 63
},
{
"id": "oqmd-592228",
"created_at": "2022-09-04T15:15:50.583478Z",
"updated_at": "2022-09-04T15:15:50.583512Z",
"structure_string": "Ce1\n1.0\n2.657849 -2.657849 0.000000\n-2.657849 0.000000 -2.657849\n2.657849 2.657849 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.196064372296366,
"density_atomic": 0.026630486040769452,
"volume": 37.55094813023947,
"volume_molar": 22.613709531176088,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.0056398924999996,
"spacegroup": 225
},
{
"id": "oqmd-1214693",
"created_at": "2022-09-04T15:39:03.403139Z",
"updated_at": "2022-09-04T15:39:03.403171Z",
"structure_string": "Ce4\n1.0\n-3.094878 -6.457591 0.000000\n-3.094878 6.457591 0.000000\n0.000000 0.000000 -3.786846\nCe\n4\ndirect\n0.134643 0.865357 0.043028 Ce\n0.634643 0.365358 0.456969 Ce\n0.365358 0.634643 0.543027 Ce\n0.865357 0.134643 0.956970 Ce\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.14858400647649,
"density_atomic": 0.026426416950585323,
"volume": 151.36369063878723,
"volume_molar": 22.78833627449678,
"formula_full": "Ce4",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.154655539999999,
"spacegroup": 64
}
]
}