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=chemical_system&page=62",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=chemical_system&page=60",
"results": [
{
"id": "oqmd-535555",
"created_at": "2022-09-04T15:12:14.183254Z",
"updated_at": "2022-09-04T15:12:14.183276Z",
"structure_string": "Ac1 Nd2 Al1\n1.0\n0.000000 3.987099 3.987099\n3.987099 0.000000 3.987099\n3.987099 3.987099 0.000000\nAc Al Nd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Nd"
],
"chemical_system": "Ac-Al-Nd",
"density": 7.105918097539361,
"density_atomic": 0.031554328142312515,
"volume": 126.76549416484748,
"volume_molar": 19.084991234291756,
"formula_full": "Ac1 Nd2 Al1",
"formula_reduced": "AcNd2Al",
"formula_anonymous": "ABC2",
"formation_energy": 0.036957100625,
"spacegroup": 225
},
{
"id": "oqmd-401561",
"created_at": "2022-09-04T14:56:53.007123Z",
"updated_at": "2022-09-04T14:56:53.007149Z",
"structure_string": "Ac2 Nd1 Al1\n1.0\n0.000000 4.106419 4.106419\n4.106419 0.000000 4.106419\n4.106419 4.106419 0.000000\nAc Al Nd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Al\n0.749999 0.749999 0.749999 Nd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Nd"
],
"chemical_system": "Ac-Al-Nd",
"density": 7.4966051996813095,
"density_atomic": 0.028882861225167648,
"volume": 138.49043447657192,
"volume_molar": 20.850222258286827,
"formula_full": "Ac2 Nd1 Al1",
"formula_reduced": "Ac2NdAl",
"formula_anonymous": "ABC2",
"formation_energy": 0.0465579300000005,
"spacegroup": 225
},
{
"id": "oqmd-966653",
"created_at": "2022-09-04T15:50:48.321824Z",
"updated_at": "2022-09-04T15:50:48.321847Z",
"structure_string": "Ac1 Nd1 Al1\n1.0\n0.000000 3.743159 3.743159\n3.743159 0.000000 3.743159\n3.743159 3.743159 0.000000\nAc Al Nd\n1 1 1\ndirect\n0.249999 0.249999 0.249999 Ac\n0.749999 0.749999 0.749999 Al\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Nd"
],
"chemical_system": "Ac-Al-Nd",
"density": 6.3042177180564405,
"density_atomic": 0.028600684901559256,
"volume": 104.89259296851473,
"volume_molar": 21.055931984592732,
"formula_full": "Ac1 Nd1 Al1",
"formula_reduced": "AcNdAl",
"formula_anonymous": "ABC",
"formation_energy": 0.4548382725,
"spacegroup": 216
},
{
"id": "oqmd-510688",
"created_at": "2022-09-04T15:08:58.524034Z",
"updated_at": "2022-09-04T15:08:58.524063Z",
"structure_string": "Ac1 Nd1 Al2\n1.0\n0.000000 3.849041 3.849041\n3.849041 0.000000 3.849041\n3.849041 3.849041 0.000000\nAc Al Nd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Nd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Nd"
],
"chemical_system": "Ac-Al-Nd",
"density": 6.190987565476611,
"density_atomic": 0.03507295709741264,
"volume": 114.04798257786717,
"volume_molar": 17.170325111948596,
"formula_full": "Ac1 Nd1 Al2",
"formula_reduced": "AcNdAl2",
"formula_anonymous": "ABC2",
"formation_energy": -0.259161195625,
"spacegroup": 225
},
{
"id": "oqmd-848998",
"created_at": "2022-09-04T15:43:58.462220Z",
"updated_at": "2022-09-04T15:43:58.462257Z",
"structure_string": "Ac1 Nd1 Al1\n1.0\n0.000000 3.768516 3.768516\n3.768516 0.000000 3.768516\n3.768516 3.768516 0.000000\nAc Al Nd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Nd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Nd"
],
"chemical_system": "Ac-Al-Nd",
"density": 6.177815563878393,
"density_atomic": 0.028027229423939877,
"volume": 107.03876414689442,
"volume_molar": 21.486750148967985,
"formula_full": "Ac1 Nd1 Al1",
"formula_reduced": "AcNdAl",
"formula_anonymous": "ABC",
"formation_energy": 0.586944415833334,
"spacegroup": 216
},
{
"id": "oqmd-958988",
"created_at": "2022-09-04T15:40:12.687284Z",
"updated_at": "2022-09-04T15:40:12.687300Z",
"structure_string": "Ac1 Al1 Ni1\n1.0\n0.000000 3.336283 3.336283\n3.336283 0.000000 3.336283\n3.336283 3.336283 0.000000\nAc Al Ni\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.749999 0.749999 0.749999 Al\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 6.990746073627676,
"density_atomic": 0.040392674650406205,
"volume": 74.27089258051474,
"volume_molar": 14.908992316356647,
"formula_full": "Ac1 Al1 Ni1",
"formula_reduced": "AcAlNi",
"formula_anonymous": "ABC",
"formation_energy": -0.1599403725,
"spacegroup": 216
},
{
"id": "oqmd-512045",
"created_at": "2022-09-04T15:09:09.408064Z",
"updated_at": "2022-09-04T15:09:09.408093Z",
"structure_string": "Ac1 Al2 Ni1\n1.0\n0.000000 3.477459 3.477459\n3.477459 0.000000 3.477459\n3.477459 3.477459 0.000000\nAc Al Ni\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 6.706145130395189,
"density_atomic": 0.047560229416622704,
"volume": 84.10388362428642,
"volume_molar": 12.662135641202795,
"formula_full": "Ac1 Al2 Ni1",
"formula_reduced": "AcAl2Ni",
"formula_anonymous": "ABC2",
"formation_energy": 0.100855008124999,
"spacegroup": 225
},
{
"id": "oqmd-527890",
"created_at": "2022-09-04T15:11:09.514334Z",
"updated_at": "2022-09-04T15:11:09.514343Z",
"structure_string": "Ac1 Al1 Ni2\n1.0\n0.000000 3.332679 3.332679\n3.332679 0.000000 3.332679\n3.332679 3.332679 0.000000\nAc Al Ni\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 8.329971621036098,
"density_atomic": 0.05403181308900141,
"volume": 74.03046041433377,
"volume_molar": 11.14554632856815,
"formula_full": "Ac1 Al1 Ni2",
"formula_reduced": "AcAlNi2",
"formula_anonymous": "ABC2",
"formation_energy": -0.109945131875,
"spacegroup": 225
},
{
"id": "oqmd-943145",
"created_at": "2022-09-04T15:49:46.200604Z",
"updated_at": "2022-09-04T15:49:46.200621Z",
"structure_string": "Ac1 Al1 Ni1\n1.0\n0.000000 3.388500 3.388500\n3.388500 0.000000 3.388500\n3.388500 3.388500 0.000000\nAc Al Ni\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 6.6725172483959865,
"density_atomic": 0.03855394195055086,
"volume": 77.81305485825,
"volume_molar": 15.620038977399448,
"formula_full": "Ac1 Al1 Ni1",
"formula_reduced": "AcAlNi",
"formula_anonymous": "ABC",
"formation_energy": 0.304228164166667,
"spacegroup": 216
},
{
"id": "oqmd-849023",
"created_at": "2022-09-04T15:30:11.899713Z",
"updated_at": "2022-09-04T15:30:11.899747Z",
"structure_string": "Ac1 Al1 Ni1\n1.0\n0.000000 3.525099 3.525099\n3.525099 0.000000 3.525099\n3.525099 3.525099 0.000000\nAc Al Ni\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 5.926499061282139,
"density_atomic": 0.03424343351582833,
"volume": 87.6080372785431,
"volume_molar": 17.586264406623798,
"formula_full": "Ac1 Al1 Ni1",
"formula_reduced": "AcAlNi",
"formula_anonymous": "ABC",
"formation_energy": 0.628223800833334,
"spacegroup": 216
},
{
"id": "oqmd-401586",
"created_at": "2022-09-04T14:56:53.221226Z",
"updated_at": "2022-09-04T14:56:53.221240Z",
"structure_string": "Ac2 Al1 Ni1\n1.0\n0.000000 3.824184 3.824184\n3.824184 0.000000 3.824184\n3.824184 3.824184 0.000000\nAc Al Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500001 0.500001 0.500001 Ac\n0.250000 0.250000 0.250000 Al\n0.749999 0.749999 0.749999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Al",
"Ni"
],
"chemical_system": "Ac-Al-Ni",
"density": 8.011890632090914,
"density_atomic": 0.035761329426943746,
"volume": 111.85266499030851,
"volume_molar": 16.839812323819046,
"formula_full": "Ac2 Al1 Ni1",
"formula_reduced": "Ac2AlNi",
"formula_anonymous": "ABC2",
"formation_energy": -0.10268625125,
"spacegroup": 225
},
{
"id": "oqmd-1070442",
"created_at": "2022-09-04T15:36:54.568776Z",
"updated_at": "2022-09-04T15:36:54.568800Z",
"structure_string": "Ac2 Al2 N2 O2\n1.0\n3.397074 -3.397074 0.000000\n3.397074 3.397074 0.000000\n0.000000 0.000000 5.502268\nAc Al N O\n2 2 2 2\ndirect\n0.749998 0.249998 0.500001 Ac\n0.249998 0.749998 0.500001 Ac\n0.749998 0.749998 0.019857 Al\n0.250000 0.250000 0.980141 Al\n0.749998 0.749998 0.347571 N\n0.250000 0.250000 0.652425 N\n0.749998 0.249998 0.000000 O\n0.249998 0.749998 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ac",
"Al",
"N",
"O"
],
"chemical_system": "Ac-Al-N-O",
"density": 7.426715361413782,
"density_atomic": 0.0629953127915392,
"volume": 126.99357532318605,
"volume_molar": 9.559664827648612,
"formula_full": "Ac2 Al2 N2 O2",
"formula_reduced": "AcAlNO",
"formula_anonymous": "ABCD",
"formation_energy": -1.38293364093057,
"spacegroup": 129
}
]
}