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=-formation_energy&page=50",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=48",
"results": [
{
"id": "oqmd-1238249",
"created_at": "2022-09-04T15:40:44.946711Z",
"updated_at": "2022-09-04T15:40:44.946727Z",
"structure_string": "Ir2 W4\n1.0\n4.005048 2.312316 6.540216\n-4.005048 2.312316 6.540216\n0.000000 -4.624631 6.540216\nIr W\n2 4\ndirect\n0.500001 0.500001 0.500001 Ir\n0.750000 0.750000 0.750000 Ir\n0.625001 0.625001 0.124998 W\n0.625001 0.124998 0.625001 W\n0.124998 0.625001 0.625001 W\n0.625001 0.625001 0.625001 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"W"
],
"chemical_system": "Ir-W",
"density": 5.116689279037057,
"density_atomic": 0.01651022763518604,
"volume": 363.41110083867056,
"volume_molar": 36.47521338328381,
"formula_full": "Ir2 W4",
"formula_reduced": "IrW2",
"formula_anonymous": "AB2",
"formation_energy": 3.78176165666667,
"spacegroup": 227
},
{
"id": "oqmd-989822",
"created_at": "2022-09-04T15:35:45.752198Z",
"updated_at": "2022-09-04T15:35:45.752231Z",
"structure_string": "Rb1 Re1 Mo1\n1.0\n0.000000 3.175488 3.175488\n3.175488 0.000000 3.175488\n3.175488 3.175488 0.000000\nMo Rb Re\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Mo\n0.000000 0.000000 0.000000 Rb\n0.750000 0.750000 0.750000 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mo",
"Rb",
"Re"
],
"chemical_system": "Mo-Rb-Re",
"density": 9.531925990331573,
"density_atomic": 0.046844631974161194,
"volume": 64.04148935687563,
"volume_molar": 12.855562112904899,
"formula_full": "Rb1 Re1 Mo1",
"formula_reduced": "RbReMo",
"formula_anonymous": "ABC",
"formation_energy": 3.774063575,
"spacegroup": 216
},
{
"id": "oqmd-349891",
"created_at": "2022-09-04T14:51:14.635915Z",
"updated_at": "2022-09-04T14:51:14.635936Z",
"structure_string": "C3 Se1\n1.0\n3.441715 0.000000 0.000000\n0.000000 3.441715 0.000000\n0.000000 0.000000 3.441715\nC Se\n3 1\ndirect\n0.500001 0.500001 0.000000 C\n0.500001 0.000000 0.500001 C\n0.000000 0.500001 0.500001 C\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"Se"
],
"chemical_system": "C-Se",
"density": 4.683735793279345,
"density_atomic": 0.09811497047023547,
"volume": 40.768498230486195,
"volume_molar": 6.137840872944969,
"formula_full": "C3 Se1",
"formula_reduced": "C3Se",
"formula_anonymous": "AB3",
"formation_energy": 3.773672269375,
"spacegroup": 221
},
{
"id": "oqmd-345758",
"created_at": "2022-09-04T14:51:06.054697Z",
"updated_at": "2022-09-04T14:51:06.054714Z",
"structure_string": "N3 Cl1\n1.0\n3.361326 0.000000 0.000000\n0.000000 3.361326 0.000000\n0.000000 0.000000 3.361326\nCl N\n1 3\ndirect\n0.000000 0.000000 0.000000 Cl\n0.499999 0.499999 0.000000 N\n0.499999 0.000000 0.499999 N\n0.000000 0.499999 0.499999 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cl",
"N"
],
"chemical_system": "Cl-N",
"density": 3.387412822967035,
"density_atomic": 0.10532418007894905,
"volume": 37.977983754553556,
"volume_molar": 5.7177190987728705,
"formula_full": "N3 Cl1",
"formula_reduced": "N3Cl",
"formula_anonymous": "AB3",
"formation_energy": 3.77274343708759,
"spacegroup": 221
},
{
"id": "oqmd-1236445",
"created_at": "2022-09-04T15:40:25.832672Z",
"updated_at": "2022-09-04T15:40:25.832683Z",
"structure_string": "Li2 Nb4\n1.0\n3.655507 2.110508 5.969419\n-3.655507 2.110508 5.969419\n0.000000 -4.221016 5.969419\nLi Nb\n2 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.500001 0.500001 0.500001 Li\n0.375000 0.375000 0.375000 Nb\n0.875001 0.375000 0.375000 Nb\n0.375000 0.875001 0.375000 Nb\n0.375000 0.375000 0.875001 Nb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Nb"
],
"chemical_system": "Li-Nb",
"density": 2.3166691482025334,
"density_atomic": 0.021713674031022118,
"volume": 276.32357340484424,
"volume_molar": 27.734324239169407,
"formula_full": "Li2 Nb4",
"formula_reduced": "LiNb2",
"formula_anonymous": "AB2",
"formation_energy": 3.77205659666667,
"spacegroup": 227
},
{
"id": "oqmd-1240318",
"created_at": "2022-09-04T15:40:53.463578Z",
"updated_at": "2022-09-04T15:40:53.463595Z",
"structure_string": "Hf2 Os4\n1.0\n3.987891 2.302410 6.512199\n-3.987891 2.302410 6.512199\n0.000000 -4.604820 6.512199\nHf Os\n2 4\ndirect\n0.249999 0.249999 0.249999 Hf\n0.500000 0.500000 0.500000 Hf\n0.375001 0.375001 0.375001 Os\n0.875000 0.375001 0.375001 Os\n0.375001 0.875000 0.375001 Os\n0.375001 0.375001 0.875000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Os"
],
"chemical_system": "Hf-Os",
"density": 5.174247491197871,
"density_atomic": 0.016724240126937306,
"volume": 358.7606943251164,
"volume_molar": 36.00845667301973,
"formula_full": "Hf2 Os4",
"formula_reduced": "HfOs2",
"formula_anonymous": "AB2",
"formation_energy": 3.76913394,
"spacegroup": 227
},
{
"id": "oqmd-346421",
"created_at": "2022-09-04T14:51:09.505437Z",
"updated_at": "2022-09-04T14:51:09.505463Z",
"structure_string": "N3 O1\n1.0\n3.088704 0.000000 0.000000\n0.000000 3.088704 0.000000\n0.000000 0.000000 3.088704\nN O\n3 1\ndirect\n0.500003 0.500003 0.000000 N\n0.500003 0.000000 0.500003 N\n0.000000 0.500003 0.500003 N\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 3.2695968607819266,
"density_atomic": 0.13574727483613142,
"volume": 29.466521555063533,
"volume_molar": 4.436288512804167,
"formula_full": "N3 O1",
"formula_reduced": "N3O",
"formula_anonymous": "AB3",
"formation_energy": 3.76465405202268,
"spacegroup": 221
},
{
"id": "oqmd-1589577",
"created_at": "2022-09-04T15:57:20.356790Z",
"updated_at": "2022-09-04T15:57:20.356817Z",
"structure_string": "B2 C4\n1.0\n0.000000 2.765930 2.765930\n2.765930 0.000000 2.765930\n2.765930 2.765930 0.000000\nB C\n2 4\ndirect\n0.500000 0.500000 0.500000 B\n0.750000 0.750000 0.750000 B\n0.125000 0.125000 0.125000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.733436202156306,
"density_atomic": 0.14177436157330853,
"volume": 42.320768955799714,
"volume_molar": 4.247693795387735,
"formula_full": "B2 C4",
"formula_reduced": "BC2",
"formula_anonymous": "AB2",
"formation_energy": 3.764607141666667,
"spacegroup": 227
},
{
"id": "oqmd-1415850",
"created_at": "2022-09-04T15:47:38.562131Z",
"updated_at": "2022-09-04T15:47:38.562158Z",
"structure_string": "Cs1 Re2\n1.0\n0.000000 3.156077 3.156077\n3.156077 0.000000 3.156077\n3.156077 3.156077 0.000000\nCs Re\n1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Re\n0.750001 0.750001 0.750001 Re\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cs",
"Re"
],
"chemical_system": "Cs-Re",
"density": 13.34573039823065,
"density_atomic": 0.04771429245128369,
"volume": 62.87424261950444,
"volume_molar": 12.62125130776823,
"formula_full": "Cs1 Re2",
"formula_reduced": "CsRe2",
"formula_anonymous": "AB2",
"formation_energy": 3.76089868,
"spacegroup": 225
},
{
"id": "oqmd-991044",
"created_at": "2022-09-04T15:35:47.796254Z",
"updated_at": "2022-09-04T15:35:47.796280Z",
"structure_string": "Rb1 B1 W1\n1.0\n0.000000 3.587478 3.587478\n3.587478 0.000000 3.587478\n3.587478 3.587478 0.000000\nB Rb W\n1 1 1\ndirect\n0.249999 0.249999 0.249999 B\n0.000000 0.000000 0.000000 Rb\n0.749999 0.749999 0.749999 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"Rb",
"W"
],
"chemical_system": "B-Rb-W",
"density": 5.037251323133116,
"density_atomic": 0.03248804063335308,
"volume": 92.34167224354309,
"volume_molar": 18.536484942146718,
"formula_full": "Rb1 B1 W1",
"formula_reduced": "RbBW",
"formula_anonymous": "ABC",
"formation_energy": 3.76056476666667,
"spacegroup": 216
},
{
"id": "oqmd-902158",
"created_at": "2022-09-04T15:33:12.804514Z",
"updated_at": "2022-09-04T15:33:12.804538Z",
"structure_string": "K1 Mo1 W1\n1.0\n0.000000 3.411527 3.411527\n3.411527 0.000000 3.411527\n3.411527 3.411527 0.000000\nK Mo W\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.249999 0.249999 0.249999 Mo\n0.750000 0.750000 0.750000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Mo",
"W"
],
"chemical_system": "K-Mo-W",
"density": 6.668031296085028,
"density_atomic": 0.03777850961102051,
"volume": 79.41022636649645,
"volume_molar": 15.940652032083499,
"formula_full": "K1 Mo1 W1",
"formula_reduced": "KMoW",
"formula_anonymous": "ABC",
"formation_energy": 3.75985468833333,
"spacegroup": 216
},
{
"id": "oqmd-1240595",
"created_at": "2022-09-04T15:40:53.856405Z",
"updated_at": "2022-09-04T15:40:53.856429Z",
"structure_string": "Pa2 Re4\n1.0\n4.223731 2.438573 6.897325\n-4.223731 2.438573 6.897325\n0.000000 -4.877145 6.897325\nPa Re\n2 4\ndirect\n0.249999 0.249999 0.249999 Pa\n0.500000 0.500000 0.500000 Pa\n0.375000 0.375000 0.375000 Re\n0.875000 0.375000 0.375000 Re\n0.375000 0.875000 0.375000 Re\n0.375000 0.375000 0.875000 Re\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pa",
"Re"
],
"chemical_system": "Pa-Re",
"density": 4.7017161327715655,
"density_atomic": 0.014076262493364685,
"volume": 426.24951068000473,
"volume_molar": 42.78224253660186,
"formula_full": "Pa2 Re4",
"formula_reduced": "PaRe2",
"formula_anonymous": "AB2",
"formation_energy": 3.75215385,
"spacegroup": 227
}
]
}