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=19",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=17",
"results": [
{
"id": "oqmd-23456",
"created_at": "2022-09-04T14:49:03.639347Z",
"updated_at": "2022-09-04T14:49:03.639375Z",
"structure_string": "Rb4\n1.0\n0.000000 0.000000 4.811775\n-8.826972 -0.023480 -2.405889\n-0.020114 -8.750883 2.405888\nRb\n4\ndirect\n0.879690 0.499835 0.240622 Rb\n0.370115 0.000163 0.259378 Rb\n0.629526 0.999836 0.740623 Rb\n0.620673 0.500163 0.759378 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.527373781998964,
"density_atomic": 0.010762017872824582,
"volume": 371.67750948458206,
"volume_molar": 55.957356986059715,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"formation_energy": 0.05789652,
"spacegroup": 70
},
{
"id": "oqmd-594000",
"created_at": "2022-09-04T15:15:50.952855Z",
"updated_at": "2022-09-04T15:15:50.952874Z",
"structure_string": "Ba1\n1.0\n3.184846 -3.184846 0.000000\n-3.184846 0.000000 -3.184846\n3.184846 3.184846 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.52947185110484,
"density_atomic": 0.015477638267169875,
"volume": 64.60934043930544,
"volume_molar": 38.90865425362576,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.01778743,
"spacegroup": 225
},
{
"id": "oqmd-16721",
"created_at": "2022-09-04T14:49:15.946385Z",
"updated_at": "2022-09-04T14:49:15.946406Z",
"structure_string": "P2\n1.0\n0.000000 0.000000 3.675903\n2.516330 1.708384 -1.837951\n-2.516330 1.708384 1.837951\nP\n2\ndirect\n0.203128 0.250002 0.250002 P\n0.796874 0.750001 0.750001 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.2548120938746115,
"density_atomic": 0.06328238908608166,
"volume": 31.604369381178756,
"volume_molar": 9.516298052224629,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"formation_energy": 0.0893414869047593,
"spacegroup": 74
},
{
"id": "oqmd-18987",
"created_at": "2022-09-04T14:49:07.779297Z",
"updated_at": "2022-09-04T14:49:07.779325Z",
"structure_string": "I1\n1.0\n0.000000 0.000000 -2.975827\n-3.740366 0.000000 0.000000\n1.870183 3.892083 1.487913\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.864320069200191,
"density_atomic": 0.02308320594896282,
"volume": 43.32153870701536,
"volume_molar": 26.08884040334349,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"formation_energy": 0.0745776149999999,
"spacegroup": 71
},
{
"id": "oqmd-9307",
"created_at": "2022-09-04T14:49:08.013375Z",
"updated_at": "2022-09-04T14:49:08.013394Z",
"structure_string": "Te4\n1.0\n3.175469 0.000000 0.029662\n-0.000001 9.005576 0.000007\n-0.109969 0.000004 4.580352\nTe\n4\ndirect\n0.492890 0.990147 0.004950 Te\n0.505620 0.239852 0.478042 Te\n0.494380 0.739854 0.521958 Te\n0.507111 0.490147 0.995051 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.469104231426325,
"density_atomic": 0.03053123533403131,
"volume": 131.01336897237968,
"volume_molar": 19.724523734837174,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"formation_energy": 0.0421096441666697,
"spacegroup": 4
},
{
"id": "oqmd-20796",
"created_at": "2022-09-04T14:49:19.002974Z",
"updated_at": "2022-09-04T14:49:19.003003Z",
"structure_string": "Sc1\n1.0\n0.000000 0.000000 2.895461\n-2.079853 -2.079853 0.000000\n2.079853 -2.079853 0.000000\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.9800456211119557,
"density_atomic": 0.039919675542917844,
"volume": 25.05030380131459,
"volume_molar": 15.085645557227952,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"formation_energy": 0.724714665,
"spacegroup": 221
},
{
"id": "oqmd-8079",
"created_at": "2022-09-04T14:49:08.212558Z",
"updated_at": "2022-09-04T14:49:08.212589Z",
"structure_string": "Ti2\n1.0\n2.917395 0.000000 0.000000\n-1.458698 2.526509 0.000000\n0.000000 0.000000 4.625522\nTi\n2\ndirect\n0.333302 0.666604 0.250000 Ti\n0.666699 0.333397 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.662710673341038,
"density_atomic": 0.058661499587853404,
"volume": 34.09391191926033,
"volume_molar": 10.265916831841373,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0135505366666706,
"spacegroup": 194
},
{
"id": "oqmd-12378",
"created_at": "2022-09-04T14:49:08.319284Z",
"updated_at": "2022-09-04T14:49:08.319311Z",
"structure_string": "Si2\n1.0\n2.732389 -2.732389 0.000000\n-2.732389 0.000000 -2.732389\n2.732389 2.732389 0.000000\nSi\n2\ndirect\n0.000000 0.000000 0.000000 Si\n0.749998 0.499998 0.249999 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.286144474761629,
"density_atomic": 0.04901989934118511,
"volume": 40.79975738178756,
"volume_molar": 12.285094096348688,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 1.27750000000759e-05,
"spacegroup": 227
},
{
"id": "oqmd-1486590",
"created_at": "2022-09-04T15:53:00.175579Z",
"updated_at": "2022-09-04T15:53:00.175610Z",
"structure_string": "V13\n1.0\n2.424704 1.399903 8.542777\n-2.424704 1.399903 8.542777\n0.000000 -2.799806 8.542777\nV\n13\ndirect\n0.000000 0.000000 0.000000 V\n0.585866 0.091967 0.091967 V\n0.091967 0.585866 0.091967 V\n0.167575 0.167575 0.167575 V\n0.352525 0.352525 0.352525 V\n0.908033 0.908033 0.414134 V\n0.458431 0.458431 0.458431 V\n0.541569 0.541569 0.541569 V\n0.091967 0.091967 0.585866 V\n0.647475 0.647475 0.647475 V\n0.832425 0.832425 0.832425 V\n0.908033 0.414134 0.908033 V\n0.414134 0.908033 0.908033 V\n",
"nsites": 13,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.320583678896129,
"density_atomic": 0.07471991325898342,
"volume": 173.9830713526295,
"volume_molar": 8.059619581097374,
"formula_full": "V13",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.1096733146153852,
"spacegroup": 166
},
{
"id": "oqmd-1439991",
"created_at": "2022-09-04T15:50:31.586222Z",
"updated_at": "2022-09-04T15:50:31.586246Z",
"structure_string": "S1\n1.0\n2.573449 0.000000 0.000000\n0.000000 2.573449 0.000000\n0.000000 0.000000 2.573449\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.124162707018985,
"density_atomic": 0.05867502755438245,
"volume": 17.04302565641164,
"volume_molar": 10.263549947920229,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"formation_energy": 0.6045047225,
"spacegroup": 221
},
{
"id": "oqmd-8088",
"created_at": "2022-09-04T14:49:16.962277Z",
"updated_at": "2022-09-04T14:49:16.962304Z",
"structure_string": "O2\n1.0\n1.205715 -2.088435 -0.000077\n-2.411495 -0.000038 0.000080\n1.205860 -0.696198 -3.746014\nO\n2\ndirect\n0.945416 0.054587 0.163745 O\n0.054584 0.945413 0.836255 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.816489792081722,
"density_atomic": 0.10601208784629876,
"volume": 18.865773145602912,
"volume_molar": 5.680617071452436,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"formation_energy": 0.0704665712499999,
"spacegroup": 166
},
{
"id": "oqmd-758471",
"created_at": "2022-09-04T15:21:49.874906Z",
"updated_at": "2022-09-04T15:21:49.874933Z",
"structure_string": "Zr2\n1.0\n-2.788618 -1.610009 0.000000\n-2.788618 1.610009 0.000000\n0.000000 0.000000 -5.202381\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666665 0.666665 0.500000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.485429218067362,
"density_atomic": 0.04281347852946085,
"volume": 46.714260758414156,
"volume_molar": 14.065992689325721,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004789949999999,
"spacegroup": 194
}
]
}