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=25",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formation_energy&page=23",
"results": [
{
"id": "oqmd-1241136",
"created_at": "2022-09-04T15:40:57.306386Z",
"updated_at": "2022-09-04T15:40:57.306412Z",
"structure_string": "Rb2 Ta4\n1.0\n0.000000 5.684506 5.684506\n5.684506 0.000000 5.684506\n5.684506 5.684506 0.000000\nRb Ta\n2 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Rb\n0.125000 0.125000 0.125000 Ta\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Ta"
],
"chemical_system": "Rb-Ta",
"density": 4.044189670132014,
"density_atomic": 0.016332138984737208,
"volume": 367.37380239092687,
"volume_molar": 36.87294582557644,
"formula_full": "Rb2 Ta4",
"formula_reduced": "RbTa2",
"formula_anonymous": "AB2",
"formation_energy": 5.88693115833333,
"spacegroup": 227
},
{
"id": "oqmd-1237000",
"created_at": "2022-09-04T15:40:40.982935Z",
"updated_at": "2022-09-04T15:40:40.982961Z",
"structure_string": "K2 Ta4\n1.0\n3.733612 2.155602 6.096963\n-3.733612 2.155602 6.096963\n0.000000 -4.311204 6.096963\nK Ta\n2 4\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.624999 0.624999 0.125000 Ta\n0.624999 0.125000 0.624999 Ta\n0.125000 0.624999 0.624999 Ta\n0.624999 0.624999 0.624999 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Ta"
],
"chemical_system": "K-Ta",
"density": 4.523290298563926,
"density_atomic": 0.02037927261494191,
"volume": 294.41678873272696,
"volume_molar": 29.550322397594396,
"formula_full": "K2 Ta4",
"formula_reduced": "KTa2",
"formula_anonymous": "AB2",
"formation_energy": 5.85983554333333,
"spacegroup": 227
},
{
"id": "oqmd-1531666",
"created_at": "2022-09-04T15:54:52.173820Z",
"updated_at": "2022-09-04T15:54:52.173845Z",
"structure_string": "Zr1 Sc1 Ti1\n1.0\n3.029146 1.748878 1.947496\n-3.029146 1.748878 1.947496\n0.000000 -3.497756 1.947496\nSc Ti Zr\n1 1 1\ndirect\n0.467181 0.467181 0.467181 Sc\n0.122417 0.122417 0.122417 Ti\n0.740600 0.740600 0.740600 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"Zr"
],
"chemical_system": "Sc-Ti-Zr",
"density": 4.937079119931644,
"density_atomic": 0.048463381032592304,
"volume": 61.902408294263616,
"volume_molar": 12.426167204368234,
"formula_full": "Zr1 Sc1 Ti1",
"formula_reduced": "ZrScTi",
"formula_anonymous": "ABC",
"formation_energy": 5.8528083804045785,
"spacegroup": 160
},
{
"id": "oqmd-1238793",
"created_at": "2022-09-04T15:40:47.108947Z",
"updated_at": "2022-09-04T15:40:47.108977Z",
"structure_string": "Cs2 Re4\n1.0\n4.377014 2.527070 7.147634\n-4.377014 2.527070 7.147634\n0.000000 -5.054141 7.147634\nCs Re\n2 4\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Cs\n0.625000 0.625000 0.124999 Re\n0.625000 0.124999 0.625000 Re\n0.124999 0.625000 0.625000 Re\n0.625000 0.625000 0.625000 Re\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"Re"
],
"chemical_system": "Cs-Re",
"density": 3.5378245234850203,
"density_atomic": 0.01264859913379244,
"volume": 474.36083130899374,
"volume_molar": 47.611128286222915,
"formula_full": "Cs2 Re4",
"formula_reduced": "CsRe2",
"formula_anonymous": "AB2",
"formation_energy": 5.66578120833333,
"spacegroup": 227
},
{
"id": "oqmd-1539403",
"created_at": "2022-09-04T15:56:09.254867Z",
"updated_at": "2022-09-04T15:56:09.254885Z",
"structure_string": "Nd2 Ag2 Cl2\n1.0\n2.046858 -5.410587 0.000000\n2.046858 5.410587 0.000000\n0.000000 0.000000 4.152031\nAg Cl Nd\n2 2 2\ndirect\n0.352981 0.647019 0.263209 Ag\n0.647019 0.352981 0.763209 Ag\n0.230121 0.769879 0.027539 Cl\n0.769879 0.230121 0.527539 Cl\n0.979858 0.020142 0.390252 Nd\n0.020142 0.979858 0.890252 Nd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"Nd"
],
"chemical_system": "Ag-Cl-Nd",
"density": 10.384598701033479,
"density_atomic": 0.06524219559597515,
"volume": 91.96502271560809,
"volume_molar": 9.230438529833155,
"formula_full": "Nd2 Ag2 Cl2",
"formula_reduced": "NdAgCl",
"formula_anonymous": "ABC",
"formation_energy": 5.656496353960293,
"spacegroup": 36
},
{
"id": "oqmd-537630",
"created_at": "2022-09-04T15:12:28.059214Z",
"updated_at": "2022-09-04T15:12:28.059224Z",
"structure_string": "Nd2 Dy1 Co1\n1.0\n0.000000 3.692698 3.692698\n3.692698 0.000000 3.692698\n3.692698 3.692698 0.000000\nCo Dy Nd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Dy",
"Nd"
],
"chemical_system": "Co-Dy-Nd",
"density": 8.407897050096798,
"density_atomic": 0.03971902892882015,
"volume": 100.70739662765516,
"volume_molar": 15.161852951622217,
"formula_full": "Nd2 Dy1 Co1",
"formula_reduced": "Nd2DyCo",
"formula_anonymous": "ABC2",
"formation_energy": 5.64840844083333,
"spacegroup": 225
},
{
"id": "oqmd-1239308",
"created_at": "2022-09-04T15:40:49.556798Z",
"updated_at": "2022-09-04T15:40:49.556814Z",
"structure_string": "Cs2 Ta4\n1.0\n0.000000 6.072464 6.072464\n6.072464 0.000000 6.072464\n6.072464 6.072464 0.000000\nCs Ta\n2 4\ndirect\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.375000 0.375000 0.375000 Ta\n0.874999 0.375000 0.375000 Ta\n0.375000 0.874999 0.375000 Ta\n0.375000 0.375000 0.874999 Ta\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"Ta"
],
"chemical_system": "Cs-Ta",
"density": 3.6693150795448393,
"density_atomic": 0.013397581520421848,
"volume": 447.84202214811967,
"volume_molar": 44.94946159365024,
"formula_full": "Cs2 Ta4",
"formula_reduced": "CsTa2",
"formula_anonymous": "AB2",
"formation_energy": 5.54859503833333,
"spacegroup": 227
},
{
"id": "oqmd-681297",
"created_at": "2022-09-04T15:16:49.663521Z",
"updated_at": "2022-09-04T15:16:49.663546Z",
"structure_string": "Zr1 Tl1 O3\n1.0\n3.398062 0.000000 0.000000\n0.000000 3.398062 0.000000\n0.000000 0.000000 3.638849\nO Tl Zr\n3 1 1\ndirect\n0.500000 0.500000 0.384407 O\n0.500000 0.000000 0.732740 O\n0.000000 0.500000 0.732740 O\n0.500000 0.500000 0.023634 Tl\n0.000000 0.000000 0.026481 Zr\n",
"nsites": 5,
"nelements": 3,
"elements": [
"O",
"Tl",
"Zr"
],
"chemical_system": "O-Tl-Zr",
"density": 13.579462274295082,
"density_atomic": 0.11899901673456223,
"volume": 42.017153899287585,
"volume_molar": 5.060664302321855,
"formula_full": "Zr1 Tl1 O3",
"formula_reduced": "ZrTlO3",
"formula_anonymous": "ABC3",
"formation_energy": 5.51751284747275,
"spacegroup": 99
},
{
"id": "oqmd-494684",
"created_at": "2022-09-04T15:06:53.621384Z",
"updated_at": "2022-09-04T15:06:53.621401Z",
"structure_string": "Sm1 Dy2 Mn1\n1.0\n0.000164 3.649644 3.649644\n3.649644 0.000164 3.649644\n3.649644 3.649644 0.000164\nDy Mn Sm\n2 1 1\ndirect\n0.500003 0.500003 0.500003 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Sm\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Sm"
],
"chemical_system": "Dy-Mn-Sm",
"density": 9.05767827235337,
"density_atomic": 0.04114411814115268,
"volume": 97.21924252397982,
"volume_molar": 14.636699076499603,
"formula_full": "Sm1 Dy2 Mn1",
"formula_reduced": "SmDy2Mn",
"formula_anonymous": "ABC2",
"formation_energy": 5.45802986634339,
"spacegroup": 225
},
{
"id": "oqmd-347934",
"created_at": "2022-09-04T15:16:56.932230Z",
"updated_at": "2022-09-04T15:16:56.932259Z",
"structure_string": "La3 Fe1\n1.0\n4.884816 0.000000 0.000000\n0.000000 4.884816 0.000000\n0.000000 0.000000 4.884816\nFe La\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"La"
],
"chemical_system": "Fe-La",
"density": 6.732288563955162,
"density_atomic": 0.03431747791939843,
"volume": 116.55868212095343,
"volume_molar": 17.548319763311923,
"formula_full": "La3 Fe1",
"formula_reduced": "La3Fe",
"formula_anonymous": "AB3",
"formation_energy": 5.371045395,
"spacegroup": 221
},
{
"id": "oqmd-495973",
"created_at": "2022-09-04T15:06:59.459018Z",
"updated_at": "2022-09-04T15:06:59.459040Z",
"structure_string": "Gd1 Dy2 Mn1\n1.0\n0.000774 3.630104 3.630104\n3.630104 0.000774 3.630104\n3.630104 3.630104 0.000774\nDy Gd Mn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.499968 0.499968 0.499968 Dy\n0.249999 0.249999 0.249999 Gd\n0.749999 0.749999 0.749999 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Gd",
"Mn"
],
"chemical_system": "Dy-Gd-Mn",
"density": 9.326681778157743,
"density_atomic": 0.04182266603584076,
"volume": 95.64191810661043,
"volume_molar": 14.399227334860017,
"formula_full": "Gd1 Dy2 Mn1",
"formula_reduced": "GdDy2Mn",
"formula_anonymous": "ABC2",
"formation_energy": 5.36351875634339,
"spacegroup": 225
},
{
"id": "oqmd-391037",
"created_at": "2022-09-04T14:54:07.140575Z",
"updated_at": "2022-09-04T14:54:07.140596Z",
"structure_string": "Sr1 Pr2 Ni1\n1.0\n0.000000 3.825163 3.825163\n3.825163 0.000000 3.825163\n3.825163 3.825163 0.000000\nNi Pr Sr\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.749999 0.749999 0.749999 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Pr",
"Sr"
],
"chemical_system": "Ni-Pr-Sr",
"density": 6.351021823681072,
"density_atomic": 0.035733878532559556,
"volume": 111.93859061101719,
"volume_molar": 16.852748728389,
"formula_full": "Sr1 Pr2 Ni1",
"formula_reduced": "SrPr2Ni",
"formula_anonymous": "ABC2",
"formation_energy": 5.33895711875,
"spacegroup": 225
}
]
}