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=-density&page=33",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density&page=31",
"results": [
{
"id": "oqmd-17518",
"created_at": "2022-09-04T14:48:57.828177Z",
"updated_at": "2022-09-04T14:48:57.828204Z",
"structure_string": "Ta1 Ir3\n1.0\n3.923760 0.000000 0.000000\n0.000000 3.923760 0.000000\n0.000000 0.000000 3.923760\nIr Ta\n3 1\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Ta"
],
"chemical_system": "Ir-Ta",
"density": 20.824813216698548,
"density_atomic": 0.06621443607995094,
"volume": 60.40978730333339,
"volume_molar": 9.094906060558362,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.688220857500001,
"spacegroup": 221
},
{
"id": "oqmd-903783",
"created_at": "2022-09-04T15:43:12.350331Z",
"updated_at": "2022-09-04T15:43:12.350359Z",
"structure_string": "Mn1 Sn2 Ir2\n1.0\n0.000000 2.999611 2.999611\n2.999611 0.000000 2.999611\n2.999611 2.999611 0.000000\nIr Mn Sn\n2 1 2\ndirect\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ir",
"Mn",
"Sn"
],
"chemical_system": "Ir-Mn-Sn",
"density": 20.819942920391476,
"density_atomic": 0.09262862045393265,
"volume": 53.97899672366026,
"volume_molar": 6.501382327069218,
"formula_full": "Mn1 Sn2 Ir2",
"formula_reduced": "Mn(SnIr)2",
"formula_anonymous": "AB2C2",
"formation_energy": 0.111749719785231,
"spacegroup": 225
},
{
"id": "oqmd-7248",
"created_at": "2022-09-04T14:49:01.944637Z",
"updated_at": "2022-09-04T14:49:01.944666Z",
"structure_string": "Re2\n1.0\n2.769518 0.000000 0.000000\n-1.384759 2.398456 0.000000\n0.000000 0.000000 4.472354\nRe\n2\ndirect\n0.333304 0.666608 0.250000 Re\n0.666697 0.333394 0.750001 Re\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.816273080968543,
"density_atomic": 0.06732213431047848,
"volume": 29.707911379878908,
"volume_molar": 8.94526120076183,
"formula_full": "Re2",
"formula_reduced": "Re",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 194
},
{
"id": "oqmd-323324",
"created_at": "2022-09-04T14:50:57.476033Z",
"updated_at": "2022-09-04T14:50:57.476061Z",
"structure_string": "Np2 Os6\n1.0\n5.670105 0.000000 0.000000\n-2.835052 4.910455 0.000000\n0.000000 0.000000 4.628176\nNp Os\n2 6\ndirect\n0.666668 0.333334 0.249999 Np\n0.333334 0.666667 0.750000 Np\n0.164345 0.328691 0.249999 Os\n0.164346 0.835654 0.249999 Os\n0.671309 0.835654 0.249999 Os\n0.328691 0.164347 0.750000 Os\n0.835655 0.164347 0.750000 Os\n0.835654 0.671308 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Os"
],
"chemical_system": "Np-Os",
"density": 20.816182958371968,
"density_atomic": 0.06208222654956741,
"volume": 128.8613576643015,
"volume_molar": 9.700265429739105,
"formula_full": "Np2 Os6",
"formula_reduced": "NpOs3",
"formula_anonymous": "AB3",
"formation_energy": 0.101561671562502,
"spacegroup": 194
},
{
"id": "oqmd-1149470",
"created_at": "2022-09-04T15:50:50.408373Z",
"updated_at": "2022-09-04T15:50:50.408390Z",
"structure_string": "Ca1 Lu2 Re3\n1.0\n0.000000 3.357262 3.357262\n3.357262 0.000000 3.357262\n3.357262 3.357262 0.000000\nCa Lu Re\n1 2 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Lu",
"Re"
],
"chemical_system": "Ca-Lu-Re",
"density": 20.814291174475652,
"density_atomic": 0.07928034844811546,
"volume": 75.68079754249142,
"volume_molar": 7.5960069271657575,
"formula_full": "Ca1 Lu2 Re3",
"formula_reduced": "CaLu2Re3",
"formula_anonymous": "AB2C3",
"formation_energy": 0.5390481687500008,
"spacegroup": 225
},
{
"id": "oqmd-314899",
"created_at": "2022-09-04T14:50:39.604326Z",
"updated_at": "2022-09-04T14:50:39.604349Z",
"structure_string": "Np3 Re1\n1.0\n0.000000 3.295644 3.295644\n3.295644 0.000000 3.295644\n3.295644 3.295644 0.000000\nNp Re\n3 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Np\n0.500001 0.500001 0.500001 Np\n0.749999 0.749999 0.749999 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Re"
],
"chemical_system": "Np-Re",
"density": 20.810900733598363,
"density_atomic": 0.055873916990583736,
"volume": 71.58975449446488,
"volume_molar": 10.778089463487754,
"formula_full": "Np3 Re1",
"formula_reduced": "Np3Re",
"formula_anonymous": "AB3",
"formation_energy": 0.320720337187501,
"spacegroup": 225
},
{
"id": "oqmd-345395",
"created_at": "2022-09-04T14:51:06.399769Z",
"updated_at": "2022-09-04T14:51:06.399799Z",
"structure_string": "Ta1 Os3\n1.0\n3.914414 0.000000 0.000000\n0.000000 3.914414 0.000000\n0.000000 0.000000 3.914414\nOs Ta\n3 1\ndirect\n0.499998 0.499998 0.000000 Os\n0.499998 0.000000 0.499998 Os\n0.000000 0.499998 0.499998 Os\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Os",
"Ta"
],
"chemical_system": "Os-Ta",
"density": 20.809300816706333,
"density_atomic": 0.06668984733909111,
"volume": 59.97914464643478,
"volume_molar": 9.030071293130767,
"formula_full": "Ta1 Os3",
"formula_reduced": "TaOs3",
"formula_anonymous": "AB3",
"formation_energy": -0.137605427499999,
"spacegroup": 221
},
{
"id": "oqmd-310602",
"created_at": "2022-09-04T14:50:10.583279Z",
"updated_at": "2022-09-04T14:50:10.583312Z",
"structure_string": "Ir3 Au1\n1.0\n0.000000 3.136973 3.136973\n3.136973 0.000000 3.136973\n3.136973 3.136973 0.000000\nAu Ir\n1 3\ndirect\n0.750000 0.750000 0.750000 Au\n0.000000 0.000000 0.000000 Ir\n0.250001 0.250001 0.250001 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Ir"
],
"chemical_system": "Au-Ir",
"density": 20.80717326837773,
"density_atomic": 0.06478845946849598,
"volume": 61.739390515143185,
"volume_molar": 9.295082502970029,
"formula_full": "Ir3 Au1",
"formula_reduced": "Ir3Au",
"formula_anonymous": "AB3",
"formation_energy": 0.64735868,
"spacegroup": 225
},
{
"id": "oqmd-322482",
"created_at": "2022-09-04T14:50:55.824116Z",
"updated_at": "2022-09-04T14:50:55.824132Z",
"structure_string": "Pu2 Ir6\n1.0\n5.720866 0.000000 0.000000\n-2.860433 4.954415 0.000000\n0.000000 0.000000 4.623132\nIr Pu\n6 2\ndirect\n0.162458 0.324916 0.249999 Ir\n0.162458 0.837542 0.249999 Ir\n0.675084 0.837542 0.249999 Ir\n0.324916 0.162459 0.750000 Ir\n0.837543 0.162459 0.750000 Ir\n0.837541 0.675083 0.750000 Ir\n0.666666 0.333333 0.249999 Pu\n0.333334 0.666668 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"Pu"
],
"chemical_system": "Ir-Pu",
"density": 20.799224629459612,
"density_atomic": 0.061051949469750406,
"volume": 131.03594675488264,
"volume_molar": 9.863961449722106,
"formula_full": "Pu2 Ir6",
"formula_reduced": "PuIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.0419732062499989,
"spacegroup": 194
},
{
"id": "oqmd-301991",
"created_at": "2022-09-04T14:50:09.126301Z",
"updated_at": "2022-09-04T14:50:09.126315Z",
"structure_string": "Ta1 Ir3\n1.0\n-1.959574 1.959574 3.938530\n1.959574 -1.959574 3.938530\n1.959574 1.959574 -3.938530\nIr Ta\n3 1\ndirect\n0.500000 0.500000 0.000000 Ir\n0.750001 0.249999 0.500002 Ir\n0.249999 0.750001 0.500002 Ir\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Ta"
],
"chemical_system": "Ir-Ta",
"density": 20.79557509710946,
"density_atomic": 0.06612147075149952,
"volume": 60.49472213092427,
"volume_molar": 9.107693297737828,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.534740917500001,
"spacegroup": 139
},
{
"id": "oqmd-1215918",
"created_at": "2022-09-04T15:39:06.288402Z",
"updated_at": "2022-09-04T15:39:06.288417Z",
"structure_string": "U3\n1.0\n3.774373 0.000000 0.000000\n-1.887187 3.268703 0.000000\n0.000000 0.000000 4.621870\nU\n3\ndirect\n0.667330 0.667329 0.000000 U\n0.332670 0.000000 0.333335 U\n0.000000 0.332670 0.666665 U\n",
"nsites": 3,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 20.79514992180091,
"density_atomic": 0.05261181089207413,
"volume": 57.021416847902955,
"volume_molar": 11.446366619756903,
"formula_full": "U3",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 0.1672183416667,
"spacegroup": 221
},
{
"id": "oqmd-346166",
"created_at": "2022-09-04T15:15:58.345424Z",
"updated_at": "2022-09-04T15:15:58.345450Z",
"structure_string": "Ta1 Ir3\n1.0\n3.925633 0.000000 0.000000\n0.000000 3.925633 0.000000\n0.000000 0.000000 3.925633\nIr Ta\n3 1\ndirect\n0.500001 0.500001 0.000000 Ir\n0.500001 0.000000 0.500001 Ir\n0.000000 0.500001 0.500001 Ir\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Ta"
],
"chemical_system": "Ir-Ta",
"density": 20.795019600161645,
"density_atomic": 0.06611970449713934,
"volume": 60.49633812524161,
"volume_molar": 9.107936591368988,
"formula_full": "Ta1 Ir3",
"formula_reduced": "TaIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.688342120000002,
"spacegroup": 221
}
]
}