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=28",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=26",
"results": [
{
"id": "oqmd-1484597",
"created_at": "2022-09-04T15:52:55.486756Z",
"updated_at": "2022-09-04T15:52:55.486784Z",
"structure_string": "Ta13\n1.0\n2.712235 1.565910 9.585012\n-2.712235 1.565910 9.585012\n0.000000 -3.131819 9.585012\nTa\n13\ndirect\n0.000000 0.000000 0.000000 Ta\n0.586315 0.091108 0.091108 Ta\n0.091108 0.586315 0.091108 Ta\n0.167405 0.167405 0.167405 Ta\n0.351970 0.351970 0.351970 Ta\n0.908892 0.908892 0.413685 Ta\n0.455286 0.455286 0.455286 Ta\n0.544714 0.544714 0.544714 Ta\n0.091108 0.091108 0.586315 Ta\n0.648030 0.648030 0.648030 Ta\n0.832595 0.832595 0.832595 Ta\n0.908892 0.413685 0.908892 Ta\n0.413685 0.908892 0.908892 Ta\n",
"nsites": 13,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 15.992192786677883,
"density_atomic": 0.05322374379612106,
"volume": 244.2518897166989,
"volume_molar": 11.314763544384288,
"formula_full": "Ta13",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"formation_energy": 0.1088189199999991,
"spacegroup": 166
},
{
"id": "oqmd-1485066",
"created_at": "2022-09-04T15:52:55.461507Z",
"updated_at": "2022-09-04T15:52:55.461522Z",
"structure_string": "W1\n1.0\n-1.347489 1.347489 2.267284\n1.347489 -1.347489 2.267284\n1.347489 1.347489 -2.267284\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.538420849191564,
"density_atomic": 0.06072725188236024,
"volume": 16.467071520660646,
"volume_molar": 9.916702260240564,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"formation_energy": 0.3803966899999995,
"spacegroup": 139
},
{
"id": "oqmd-1485144",
"created_at": "2022-09-04T15:52:55.579104Z",
"updated_at": "2022-09-04T15:52:55.579132Z",
"structure_string": "Al6\n1.0\n0.000000 3.740164 3.740164\n3.740164 0.000000 3.740164\n3.740164 3.740164 0.000000\nAl\n6\ndirect\n0.000000 0.000000 0.000000 Al\n0.624999 0.624999 0.125000 Al\n0.250000 0.250000 0.250000 Al\n0.624999 0.125000 0.624999 Al\n0.125000 0.624999 0.624999 Al\n0.624999 0.624999 0.624999 Al\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.569006046128742,
"density_atomic": 0.05733889478202237,
"volume": 104.64101240195507,
"volume_molar": 10.502715099224652,
"formula_full": "Al6",
"formula_reduced": "Al",
"formula_anonymous": "A",
"formation_energy": 0.1618564016666663,
"spacegroup": 227
},
{
"id": "oqmd-1485037",
"created_at": "2022-09-04T15:52:56.711550Z",
"updated_at": "2022-09-04T15:52:56.711577Z",
"structure_string": "V1\n1.0\n-1.217092 1.217092 2.229012\n1.217092 -1.217092 2.229012\n1.217092 1.217092 -2.229012\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.404741601280773,
"density_atomic": 0.0757148012282121,
"volume": 13.207457244533977,
"volume_molar": 7.953716660826536,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.0817419200000006,
"spacegroup": 139
},
{
"id": "oqmd-1485146",
"created_at": "2022-09-04T15:52:56.454353Z",
"updated_at": "2022-09-04T15:52:56.454392Z",
"structure_string": "V6\n1.0\n0.000000 3.432738 3.432738\n3.432738 0.000000 3.432738\n3.432738 3.432738 0.000000\nV\n6\ndirect\n0.000000 0.000000 0.000000 V\n0.625000 0.625000 0.124999 V\n0.250000 0.250000 0.250000 V\n0.625000 0.124999 0.625000 V\n0.124999 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n",
"nsites": 6,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.273647427235136,
"density_atomic": 0.07416504794416748,
"volume": 80.90064209918515,
"volume_molar": 8.11991757159458,
"formula_full": "V6",
"formula_reduced": "V",
"formula_anonymous": "A",
"formation_energy": 0.1160404400000008,
"spacegroup": 227
},
{
"id": "oqmd-1215390",
"created_at": "2022-09-04T15:39:04.527406Z",
"updated_at": "2022-09-04T15:39:04.527440Z",
"structure_string": "Zr2\n1.0\n3.228086 0.000000 0.000000\n-1.614043 2.795605 0.000000\n0.000000 0.000000 5.175751\nZr\n2\ndirect\n0.333334 0.666668 0.250000 Zr\n0.666666 0.333334 0.749999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.486253601862724,
"density_atomic": 0.04281892068860499,
"volume": 46.70832351298014,
"volume_molar": 14.064204942939204,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0001833700000002,
"spacegroup": 194
},
{
"id": "oqmd-1489243",
"created_at": "2022-09-04T15:53:07.491551Z",
"updated_at": "2022-09-04T15:53:07.491577Z",
"structure_string": "Co30\n1.0\n8.537380 0.000000 0.000000\n0.000000 8.537380 0.000000\n0.000000 0.000000 4.498975\nCo\n30\ndirect\n0.000000 0.000000 0.000000 Co\n0.736652 0.066024 0.000000 Co\n0.462315 0.133679 0.000000 Co\n0.933976 0.263348 0.000000 Co\n0.402188 0.402188 0.000000 Co\n0.133679 0.462315 0.000000 Co\n0.866321 0.537685 0.000000 Co\n0.597811 0.597811 0.000000 Co\n0.066024 0.736652 0.000000 Co\n0.537685 0.866321 0.000000 Co\n0.263348 0.933976 0.000000 Co\n0.682283 0.317717 0.249026 Co\n0.317717 0.682283 0.249026 Co\n0.182282 0.182282 0.250975 Co\n0.817718 0.817718 0.250975 Co\n0.633678 0.037684 0.500001 Co\n0.902188 0.097812 0.500001 Co\n0.433977 0.236653 0.500001 Co\n0.962316 0.366322 0.500001 Co\n0.236653 0.433977 0.500001 Co\n0.500000 0.500000 0.500001 Co\n0.763348 0.566024 0.500001 Co\n0.037684 0.633678 0.500001 Co\n0.566024 0.763348 0.500001 Co\n0.097812 0.902188 0.500001 Co\n0.366322 0.962316 0.500001 Co\n0.182282 0.182282 0.749026 Co\n0.817718 0.817718 0.749026 Co\n0.682283 0.317717 0.750976 Co\n0.317717 0.682283 0.750976 Co\n",
"nsites": 30,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.952978346747424,
"density_atomic": 0.09148680271615568,
"volume": 327.916148661104,
"volume_molar": 6.5825240157141796,
"formula_full": "Co30",
"formula_reduced": "Co",
"formula_anonymous": "A",
"formation_energy": 0.0586784796666668,
"spacegroup": 136
},
{
"id": "oqmd-3971",
"created_at": "2022-09-04T15:15:45.149725Z",
"updated_at": "2022-09-04T15:15:45.149750Z",
"structure_string": "S18\n1.0\n10.579188 0.000000 0.000000\n-5.289595 9.161846 0.000000\n0.000000 0.000000 5.443001\nS\n18\ndirect\n0.553031 0.107341 0.022978 S\n0.892660 0.445691 0.022978 S\n0.554310 0.446969 0.022978 S\n0.718146 0.024802 0.032477 S\n0.306657 0.281855 0.032477 S\n0.975199 0.693345 0.032477 S\n0.527951 0.137587 0.362210 S\n0.862412 0.390363 0.362210 S\n0.609636 0.472049 0.362210 S\n0.257732 0.268531 0.379528 S\n0.010799 0.742267 0.379528 S\n0.731469 0.989201 0.379528 S\n0.159410 0.426218 0.443638 S\n0.573780 0.733191 0.443638 S\n0.266808 0.840589 0.443638 S\n0.196322 0.503621 0.773169 S\n0.496381 0.692702 0.773169 S\n0.307298 0.803678 0.773169 S\n",
"nsites": 18,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.8166828245619557,
"density_atomic": 0.03411919441623959,
"volume": 527.5622800587755,
"volume_molar": 17.650301723224928,
"formula_full": "S18",
"formula_reduced": "S",
"formula_anonymous": "A",
"formation_energy": 0.19963321138889,
"spacegroup": 143
},
{
"id": "oqmd-7519",
"created_at": "2022-09-04T14:48:48.074273Z",
"updated_at": "2022-09-04T14:48:48.074301Z",
"structure_string": "Re1\n1.0\n1.955088 -1.955088 0.000000\n-1.955088 0.000000 -1.955088\n1.955088 1.955088 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.687888873954822,
"density_atomic": 0.06690692555556337,
"volume": 14.946135870038482,
"volume_molar": 9.000773402745681,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"formation_energy": 0.062048055,
"spacegroup": 225
},
{
"id": "oqmd-100324",
"created_at": "2022-09-04T15:16:20.807658Z",
"updated_at": "2022-09-04T15:16:20.807684Z",
"structure_string": "K8\n1.0\n0.000000 0.000000 -8.490439\n-6.008258 6.008258 4.245219\n6.008258 6.008258 -4.245219\nK\n8\ndirect\n0.002745 0.250911 0.245422 K\n0.251833 0.749088 0.245423 K\n0.497257 0.245422 0.250911 K\n0.751834 0.754578 0.250913 K\n0.502746 0.754577 0.749087 K\n0.248169 0.245423 0.749088 K\n0.997256 0.749087 0.754577 K\n0.748168 0.250913 0.754578 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8473048074302688,
"density_atomic": 0.013050666700938707,
"volume": 612.9955030898595,
"volume_molar": 46.14431506067687,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.1053905225,
"spacegroup": 140
},
{
"id": "oqmd-106124",
"created_at": "2022-09-04T15:15:52.063009Z",
"updated_at": "2022-09-04T15:15:52.063038Z",
"structure_string": "Sc2\n1.0\n3.276472 0.000000 0.000000\n-1.638237 2.837423 0.000000\n0.000000 0.000000 5.109092\nSc\n2\ndirect\n0.333320 0.666640 0.249999 Sc\n0.666678 0.333359 0.749998 Sc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1433420091925166,
"density_atomic": 0.042107138306348296,
"volume": 47.497884692355576,
"volume_molar": 14.301947370980729,
"formula_full": "Sc2",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"formation_energy": 0.0016949899999998,
"spacegroup": 194
},
{
"id": "oqmd-1215562",
"created_at": "2022-09-04T15:39:05.523936Z",
"updated_at": "2022-09-04T15:39:05.523968Z",
"structure_string": "U2\n1.0\n0.000000 2.911671 -2.911671\n2.911671 0.000000 2.911671\n0.000000 -2.911671 -2.911671\nU\n2\ndirect\n0.000000 0.000000 0.000000 U\n0.250001 0.500002 0.750002 U\n",
"nsites": 2,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 16.01223305272242,
"density_atomic": 0.04051101244749738,
"volume": 49.36929193245953,
"volume_molar": 14.865441261940187,
"formula_full": "U2",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 1.00022308,
"spacegroup": 227
}
]
}