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=20",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=18",
"results": [
{
"id": "oqmd-620952",
"created_at": "2022-09-04T15:16:11.378941Z",
"updated_at": "2022-09-04T15:16:11.378958Z",
"structure_string": "Ba1\n1.0\n0.000000 0.000000 -3.960113\n-2.798897 -2.798897 0.000000\n-2.798897 2.798897 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.67530700852149,
"density_atomic": 0.016117162793317916,
"volume": 62.04565982386145,
"volume_molar": 37.36476970063705,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.30703454,
"spacegroup": 221
},
{
"id": "oqmd-1214953",
"created_at": "2022-09-04T15:39:03.762080Z",
"updated_at": "2022-09-04T15:39:03.762102Z",
"structure_string": "Ba8\n1.0\n8.016888 0.000000 0.000000\n0.000000 8.016888 0.000000\n0.000000 0.000000 8.016888\nBa\n8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.250000 0.000000 Ba\n0.500000 0.750001 0.000000 Ba\n0.000000 0.500000 0.250000 Ba\n0.250000 0.000000 0.500000 Ba\n0.750001 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.750001 Ba\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5406057325949565,
"density_atomic": 0.01552646318984481,
"volume": 515.2493457255903,
"volume_molar": 38.78630108071761,
"formula_full": "Ba8",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.0450117674999999,
"spacegroup": 223
},
{
"id": "oqmd-1214508",
"created_at": "2022-09-04T15:39:02.792146Z",
"updated_at": "2022-09-04T15:39:02.792163Z",
"structure_string": "Ba1\n1.0\n0.000000 3.169084 -3.169084\n3.169084 0.000000 3.169084\n0.000000 -3.169084 -3.169084\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5823975741171563,
"density_atomic": 0.015709731121390156,
"volume": 63.65481320290795,
"volume_molar": 38.333824515941814,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.0179521899999999,
"spacegroup": 225
},
{
"id": "oqmd-1214775",
"created_at": "2022-09-04T15:39:03.800743Z",
"updated_at": "2022-09-04T15:39:03.800768Z",
"structure_string": "Ba29\n1.0\n-7.739176 7.739176 -7.739176\n-7.739176 -7.739176 7.739176\n7.739176 7.739176 7.739176\nBa\n29\ndirect\n0.000000 0.000000 0.000000 Ba\n0.645186 0.000000 0.000000 Ba\n0.380172 0.190690 0.000000 Ba\n0.190690 0.380172 0.000000 Ba\n0.687239 0.411149 0.000000 Ba\n0.000000 0.645186 0.000000 Ba\n0.411149 0.687239 0.000000 Ba\n0.809310 0.809310 0.189481 Ba\n0.380172 0.000000 0.190690 Ba\n0.000000 0.380172 0.190690 Ba\n0.588851 0.588851 0.276090 Ba\n0.723909 0.312760 0.312760 Ba\n0.312760 0.723909 0.312760 Ba\n0.354814 0.354814 0.354814 Ba\n0.190690 0.000000 0.380172 Ba\n0.000000 0.190690 0.380172 Ba\n0.687239 0.000000 0.411149 Ba\n0.000000 0.687239 0.411149 Ba\n0.588851 0.276090 0.588851 Ba\n0.276090 0.588851 0.588851 Ba\n0.810518 0.619828 0.619828 Ba\n0.619828 0.810518 0.619828 Ba\n0.000000 0.000000 0.645186 Ba\n0.411149 0.000000 0.687239 Ba\n0.000000 0.411149 0.687239 Ba\n0.312760 0.312760 0.723909 Ba\n0.809310 0.189481 0.809310 Ba\n0.189481 0.809310 0.809310 Ba\n0.619828 0.619828 0.810518 Ba\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.5666366418429143,
"density_atomic": 0.01564061539564277,
"volume": 1854.1469927122528,
"volume_molar": 38.503221309806484,
"formula_full": "Ba29",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.05839159310345,
"spacegroup": 217
},
{
"id": "oqmd-1214597",
"created_at": "2022-09-04T15:39:03.059240Z",
"updated_at": "2022-09-04T15:39:03.059265Z",
"structure_string": "Ba1\n1.0\n-2.243910 1.295522 3.572332\n-2.243910 -1.295522 -3.572332\n0.000000 -2.591044 3.572332\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.659752696941301,
"density_atomic": 0.016048953152247213,
"volume": 62.30936002576452,
"volume_molar": 37.523573674067116,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.0211986499999999,
"spacegroup": 225
},
{
"id": "oqmd-676487",
"created_at": "2022-09-04T15:39:30.901671Z",
"updated_at": "2022-09-04T15:39:30.901701Z",
"structure_string": "Ba2\n1.0\n4.445648 0.000000 0.000000\n-2.222824 3.849926 0.000000\n0.000000 0.000000 7.338059\nBa\n2\ndirect\n0.333305 0.666610 0.249999 Ba\n0.666697 0.333391 0.749999 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6313354694842483,
"density_atomic": 0.01592433632976187,
"volume": 125.59393111172173,
"volume_molar": 37.81721658782658,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.0144200799999998,
"spacegroup": 194
},
{
"id": "oqmd-1215131",
"created_at": "2022-09-04T15:39:03.230050Z",
"updated_at": "2022-09-04T15:39:03.230079Z",
"structure_string": "Ba1\n1.0\n2.506782 2.506782 -2.506782\n2.506782 -2.506782 2.506782\n-2.506782 -2.506782 -2.506782\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6190562735679963,
"density_atomic": 0.015870488909915197,
"volume": 63.01003111348656,
"volume_molar": 37.94552766573956,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.00010251,
"spacegroup": 229
},
{
"id": "oqmd-1214776",
"created_at": "2022-09-04T15:39:03.816805Z",
"updated_at": "2022-09-04T15:39:03.816833Z",
"structure_string": "Be29\n1.0\n3.891626 3.891626 3.891626\n3.891626 -3.891626 -3.891626\n-3.891626 3.891626 -3.891626\nBe\n29\ndirect\n0.000000 0.000000 0.000000 Be\n0.620928 0.000000 0.000000 Be\n0.374196 0.187824 0.000000 Be\n0.187824 0.374196 0.000000 Be\n0.680453 0.406601 0.000000 Be\n0.000000 0.620928 0.000000 Be\n0.406601 0.680453 0.000000 Be\n0.812176 0.812176 0.186372 Be\n0.374196 0.000000 0.187824 Be\n0.000000 0.374196 0.187824 Be\n0.593400 0.593400 0.273852 Be\n0.726146 0.319546 0.319546 Be\n0.319546 0.726146 0.319546 Be\n0.187824 0.000000 0.374196 Be\n0.000000 0.187824 0.374196 Be\n0.379073 0.379073 0.379073 Be\n0.680453 0.000000 0.406601 Be\n0.000000 0.680453 0.406601 Be\n0.593400 0.273852 0.593400 Be\n0.273852 0.593400 0.593400 Be\n0.000000 0.000000 0.620928 Be\n0.813627 0.625803 0.625803 Be\n0.625803 0.813627 0.625803 Be\n0.406601 0.000000 0.680453 Be\n0.000000 0.406601 0.680453 Be\n0.319546 0.319546 0.726146 Be\n0.812176 0.186372 0.812176 Be\n0.186372 0.812176 0.812176 Be\n0.625803 0.625803 0.813627 Be\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.840872749662612,
"density_atomic": 0.12301121774446605,
"volume": 235.75085696852744,
"volume_molar": 4.895602913638273,
"formula_full": "Be29",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.14289836448276,
"spacegroup": 217
},
{
"id": "oqmd-1215578",
"created_at": "2022-09-04T15:39:07.074397Z",
"updated_at": "2022-09-04T15:39:07.074426Z",
"structure_string": "Be2\n1.0\n0.000000 0.000000 -2.105981\n-2.115585 -2.115585 1.052990\n-2.115585 2.115585 -1.052990\nBe\n2\ndirect\n0.000000 0.000000 0.000000 Be\n0.250002 0.499999 0.499999 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.5876824501443008,
"density_atomic": 0.10609247793991318,
"volume": 18.851477869455792,
"volume_molar": 5.676312663194384,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.72503345,
"spacegroup": 141
},
{
"id": "oqmd-1215667",
"created_at": "2022-09-04T15:39:03.530657Z",
"updated_at": "2022-09-04T15:39:03.530684Z",
"structure_string": "Be1\n1.0\n0.000000 -2.226073 0.000000\n-2.226073 0.000000 0.000000\n1.113037 1.113037 -1.577426\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.9144818439201912,
"density_atomic": 0.1279299413897324,
"volume": 7.8167783799223995,
"volume_molar": 4.707373969361744,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0818037899999999,
"spacegroup": 225
},
{
"id": "oqmd-1214598",
"created_at": "2022-09-04T15:39:03.088778Z",
"updated_at": "2022-09-04T15:39:03.088806Z",
"structure_string": "Be1\n1.0\n-1.113540 0.642903 1.841275\n-1.113540 -0.642903 -1.841275\n0.000000 -1.285805 1.841275\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8921610351083007,
"density_atomic": 0.12643841522449623,
"volume": 7.908988721698717,
"volume_molar": 4.762904335132213,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0815962700000004,
"spacegroup": 225
},
{
"id": "oqmd-594523",
"created_at": "2022-09-04T15:15:51.049017Z",
"updated_at": "2022-09-04T15:15:51.049042Z",
"structure_string": "Be2\n1.0\n2.268079 0.000000 0.000000\n-1.134040 1.964143 0.000000\n0.000000 0.000000 3.555969\nBe\n2\ndirect\n0.333311 0.666622 0.249999 Be\n0.666689 0.333377 0.750001 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8893821129460284,
"density_atomic": 0.1262527214554615,
"volume": 15.841242683275903,
"volume_molar": 4.769909662600379,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 7.93550000000032e-05,
"spacegroup": 194
}
]
}