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=volume_molar&page=96",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=94",
"results": [
{
"id": "oqmd-1576728",
"created_at": "2022-09-04T15:56:30.788569Z",
"updated_at": "2022-09-04T15:56:30.788603Z",
"structure_string": "Co1 Ni2 H6 Pt1\n1.0\n0.000000 3.283798 3.283798\n3.283798 0.000000 3.283798\n3.283798 3.283798 0.000000\nCo H Ni Pt\n1 6 2 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.760986 0.239014 0.239014 H\n0.239014 0.760986 0.239014 H\n0.760986 0.760986 0.239014 H\n0.760986 0.239014 0.760986 H\n0.239014 0.239014 0.760986 H\n0.239014 0.760986 0.760986 H\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"H",
"Ni",
"Pt"
],
"chemical_system": "Co-H-Ni-Pt",
"density": 8.850159763664555,
"density_atomic": 0.14120195257253174,
"volume": 70.82055040891352,
"volume_molar": 4.264913232631528,
"formula_full": "Co1 Ni2 H6 Pt1",
"formula_reduced": "CoNi2H6Pt",
"formula_anonymous": "ABC2D6",
"formation_energy": 0.2722632516894947,
"spacegroup": 225
},
{
"id": "oqmd-824716",
"created_at": "2022-09-04T15:22:18.414545Z",
"updated_at": "2022-09-04T15:22:18.414571Z",
"structure_string": "Fe1 H1 O3\n1.0\n3.284559 0.000000 0.000000\n0.000000 3.284559 0.000000\n0.000000 0.000000 3.284559\nFe H O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.91350103509528,
"density_atomic": 0.14110383000115725,
"volume": 35.43489925084948,
"volume_molar": 4.267879022100683,
"formula_full": "Fe1 H1 O3",
"formula_reduced": "FeHO3",
"formula_anonymous": "ABC3",
"formation_energy": 0.152149418353065,
"spacegroup": 221
},
{
"id": "oqmd-1435989",
"created_at": "2022-09-04T15:55:05.695973Z",
"updated_at": "2022-09-04T15:55:05.695997Z",
"structure_string": "B4 C2\n1.0\n2.575889 0.000000 0.000000\n-1.287945 2.230786 0.000000\n0.000000 0.000000 7.400325\nB C\n4 2\ndirect\n0.666667 0.333333 0.138191 B\n0.666667 0.333333 0.361809 B\n0.333333 0.666667 0.638191 B\n0.333333 0.666667 0.861809 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.6266667632247924,
"density_atomic": 0.14109622762864452,
"volume": 42.52417021234319,
"volume_molar": 4.268108978682163,
"formula_full": "B4 C2",
"formula_reduced": "B2C",
"formula_anonymous": "AB2",
"formation_energy": 1.293453929166667,
"spacegroup": 194
},
{
"id": "oqmd-1278859",
"created_at": "2022-09-04T15:42:12.653788Z",
"updated_at": "2022-09-04T15:42:12.653808Z",
"structure_string": "Li2 Mn1 H6\n1.0\n0.000000 3.171524 3.171524\n3.171524 0.000000 3.171524\n3.171524 3.171524 0.000000\nH Li Mn\n6 2 1\ndirect\n0.746659 0.746659 0.253341 H\n0.746659 0.253341 0.253341 H\n0.253343 0.746657 0.253343 H\n0.253343 0.253343 0.746657 H\n0.746657 0.253343 0.746657 H\n0.253341 0.746659 0.746659 H\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"Li",
"Mn"
],
"chemical_system": "H-Li-Mn",
"density": 1.948540781232306,
"density_atomic": 0.14106150308658294,
"volume": 63.80195732407472,
"volume_molar": 4.269159641878788,
"formula_full": "Li2 Mn1 H6",
"formula_reduced": "Li2MnH6",
"formula_anonymous": "AB2C6",
"formation_energy": -0.0134630607664611,
"spacegroup": 225
},
{
"id": "oqmd-1549950",
"created_at": "2022-09-04T15:55:56.495483Z",
"updated_at": "2022-09-04T15:55:56.495506Z",
"structure_string": "Li2 Co1 H6 Ru1\n1.0\n0.000000 3.284978 3.284978\n3.284978 0.000000 3.284978\n3.284978 3.284978 0.000000\nCo H Li Ru\n1 6 2 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.760078 0.239922 0.239922 H\n0.239922 0.760078 0.239922 H\n0.760078 0.760078 0.239922 H\n0.760078 0.239922 0.760078 H\n0.239922 0.760078 0.760078 H\n0.239922 0.239922 0.760078 H\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"H",
"Li",
"Ru"
],
"chemical_system": "Co-H-Li-Ru",
"density": 4.214364824195788,
"density_atomic": 0.14104984337111287,
"volume": 70.89692381783962,
"volume_molar": 4.269512546820268,
"formula_full": "Li2 Co1 H6 Ru1",
"formula_reduced": "Li2CoH6Ru",
"formula_anonymous": "ABC2D6",
"formation_energy": -0.1379329613105049,
"spacegroup": 225
},
{
"id": "oqmd-304781",
"created_at": "2022-09-04T15:15:52.660636Z",
"updated_at": "2022-09-04T15:15:52.660661Z",
"structure_string": "Li1 H1\n1.0\n2.420592 0.000000 0.000000\n0.000000 2.420592 0.000000\n0.000000 0.000000 2.420592\nH Li\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500002 0.500002 0.500002 Li\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Li"
],
"chemical_system": "H-Li",
"density": 0.9306653299748018,
"density_atomic": 0.14101496852402792,
"volume": 14.182891510976116,
"volume_molar": 4.270568453145363,
"formula_full": "Li1 H1",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"formation_energy": -0.175030391092088,
"spacegroup": 221
},
{
"id": "oqmd-1278751",
"created_at": "2022-09-04T15:42:12.847141Z",
"updated_at": "2022-09-04T15:42:12.847179Z",
"structure_string": "Li2 Co1 H6\n1.0\n0.000000 3.171892 3.171892\n3.171892 0.000000 3.171892\n3.171892 3.171892 0.000000\nCo H Li\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.746659 0.746659 0.253341 H\n0.746659 0.253341 0.253341 H\n0.253343 0.746657 0.253343 H\n0.253343 0.253343 0.746657 H\n0.746657 0.253343 0.746657 H\n0.253341 0.746659 0.746659 H\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Li"
],
"chemical_system": "Co-H-Li",
"density": 2.051806079704078,
"density_atomic": 0.14101241130406503,
"volume": 63.82416921155473,
"volume_molar": 4.2706458986893425,
"formula_full": "Li2 Co1 H6",
"formula_reduced": "Li2CoH6",
"formula_anonymous": "AB2C6",
"formation_energy": -0.0432555203450057,
"spacegroup": 225
},
{
"id": "oqmd-1451004",
"created_at": "2022-09-04T15:50:52.985770Z",
"updated_at": "2022-09-04T15:50:52.985798Z",
"structure_string": "Sm8 Mn8 O20\n1.0\n0.000000 5.035164 5.035164\n5.035164 0.000000 5.035164\n5.035164 5.035164 0.000000\nMn O Sm\n8 20 8\ndirect\n0.125575 0.125575 0.125575 Mn\n0.623276 0.125575 0.125575 Mn\n0.125575 0.623276 0.125575 Mn\n0.874425 0.874425 0.376724 Mn\n0.125575 0.125575 0.623276 Mn\n0.874425 0.874425 0.874425 Mn\n0.376724 0.874425 0.874425 Mn\n0.874425 0.376724 0.874425 Mn\n0.456867 0.043133 0.043133 O\n0.043133 0.456867 0.043133 O\n0.456867 0.456867 0.043133 O\n0.789837 0.210163 0.210163 O\n0.210163 0.789837 0.210163 O\n0.789837 0.789837 0.210163 O\n0.250000 0.250000 0.250000 O\n0.043133 0.043133 0.456867 O\n0.456867 0.043133 0.456867 O\n0.043133 0.456867 0.456867 O\n0.956867 0.543133 0.543133 O\n0.543133 0.956867 0.543133 O\n0.956867 0.956867 0.543133 O\n0.750000 0.750000 0.750000 O\n0.789837 0.210163 0.789837 O\n0.210163 0.789837 0.789837 O\n0.210163 0.210163 0.789837 O\n0.956867 0.543133 0.956867 O\n0.543133 0.956867 0.956867 O\n0.543133 0.543133 0.956867 O\n0.625331 0.625331 0.124007 Sm\n0.374669 0.374669 0.374669 Sm\n0.374669 0.875993 0.374669 Sm\n0.875993 0.374669 0.374669 Sm\n0.625331 0.124007 0.625331 Sm\n0.625331 0.625331 0.625331 Sm\n0.124007 0.625331 0.625331 Sm\n0.374669 0.374669 0.875993 Sm\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"Sm"
],
"chemical_system": "Mn-O-Sm",
"density": 12.763202462989447,
"density_atomic": 0.1410040684151435,
"volume": 255.31178216793697,
"volume_molar": 4.270898583060485,
"formula_full": "Sm8 Mn8 O20",
"formula_reduced": "Sm2Mn2O5",
"formula_anonymous": "A2B2C5",
"formation_energy": -2.590476279298633,
"spacegroup": 225
},
{
"id": "oqmd-1415724",
"created_at": "2022-09-04T15:47:37.290905Z",
"updated_at": "2022-09-04T15:47:37.290931Z",
"structure_string": "Mo1 H2\n1.0\n0.000000 2.199371 2.199371\n2.199371 0.000000 2.199371\n2.199371 2.199371 0.000000\nH Mo\n2 1\ndirect\n0.250001 0.250001 0.250001 H\n0.750001 0.750001 0.750001 H\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Mo"
],
"chemical_system": "H-Mo",
"density": 7.644588791576783,
"density_atomic": 0.1409924236434904,
"volume": 21.277739061963487,
"volume_molar": 4.271251322856483,
"formula_full": "Mo1 H2",
"formula_reduced": "MoH2",
"formula_anonymous": "AB2",
"formation_energy": 0.0725674118772173,
"spacegroup": 225
},
{
"id": "oqmd-20835",
"created_at": "2022-09-04T15:16:22.293110Z",
"updated_at": "2022-09-04T15:16:22.293138Z",
"structure_string": "Li2 B18\n1.0\n5.723994 0.000000 0.000000\n-2.861997 4.957125 0.000000\n0.000000 0.000000 4.999431\nB Li\n18 2\ndirect\n0.472873 0.168866 0.026875 B\n0.831135 0.304009 0.026875 B\n0.168866 0.472875 0.026875 B\n0.695992 0.527126 0.026875 B\n0.527126 0.695992 0.026875 B\n0.304009 0.831135 0.026875 B\n0.627965 0.000000 0.187881 B\n0.372034 0.372034 0.187881 B\n0.000000 0.627965 0.187881 B\n0.695992 0.168866 0.526874 B\n0.472875 0.304009 0.526874 B\n0.304009 0.472875 0.526874 B\n0.831134 0.527126 0.526874 B\n0.168866 0.695992 0.526874 B\n0.527126 0.831135 0.526874 B\n0.372034 0.000000 0.687882 B\n0.000000 0.372034 0.687882 B\n0.627966 0.627965 0.687882 B\n0.000000 0.000000 0.418106 Li\n0.000000 0.000000 0.918107 Li\n",
"nsites": 20,
"nelements": 2,
"elements": [
"B",
"Li"
],
"chemical_system": "B-Li",
"density": 2.440416074063004,
"density_atomic": 0.1409874243673523,
"volume": 141.85662366516212,
"volume_molar": 4.271402777249767,
"formula_full": "Li2 B18",
"formula_reduced": "LiB9",
"formula_anonymous": "AB9",
"formation_energy": 0.0341740969999996,
"spacegroup": 185
},
{
"id": "oqmd-1282547",
"created_at": "2022-09-04T15:42:23.650213Z",
"updated_at": "2022-09-04T15:42:23.650246Z",
"structure_string": "Li12 Co8 Os12 O48\n1.0\n9.033314 0.000000 0.000000\n-3.011105 8.516690 0.000000\n-3.011105 -4.258345 7.375670\nCo Li O Os\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500001 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500001 Co\n0.500001 0.500001 0.500001 Co\n0.875000 0.750000 0.124999 Li\n0.750000 0.375001 0.125001 Li\n0.124999 0.375000 0.250000 Li\n0.624999 0.875000 0.250000 Li\n0.250000 0.124999 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.624999 Li\n0.750000 0.875000 0.625000 Li\n0.375001 0.125001 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.124999 0.250000 0.875000 Li\n0.250000 0.624999 0.875000 Li\n0.327325 0.410455 0.029201 O\n0.201876 0.618746 0.029201 O\n0.701876 0.172675 0.083129 O\n0.881255 0.910455 0.083130 O\n0.970799 0.172675 0.089545 O\n0.618746 0.916871 0.089545 O\n0.589545 0.416870 0.118745 O\n0.029201 0.701876 0.118746 O\n0.201876 0.083130 0.172675 O\n0.470799 0.089545 0.172675 O\n0.118746 0.529201 0.201876 O\n0.583130 0.672675 0.201876 O\n0.327325 0.416871 0.298124 O\n0.470799 0.881255 0.298124 O\n0.910455 0.529200 0.327325 O\n0.916871 0.798124 0.327325 O\n0.583129 0.410455 0.381254 O\n0.298124 0.970799 0.381255 O\n0.827325 0.029201 0.410455 O\n0.083130 0.381255 0.410455 O\n0.827325 0.298124 0.416870 O\n0.089545 0.118746 0.416871 O\n0.589545 0.672675 0.470799 O\n0.381255 0.798124 0.470799 O\n0.618745 0.201876 0.529201 O\n0.410455 0.327325 0.529201 O\n0.172675 0.701875 0.583129 O\n0.910455 0.881254 0.583129 O\n0.916870 0.618745 0.589545 O\n0.172675 0.970799 0.589545 O\n0.701876 0.029201 0.618745 O\n0.416871 0.589545 0.618746 O\n0.083129 0.201876 0.672675 O\n0.089545 0.470799 0.672675 O\n0.529200 0.118745 0.701875 O\n0.672675 0.583129 0.701876 O\n0.416870 0.327325 0.798124 O\n0.881254 0.470799 0.798124 O\n0.529201 0.910455 0.827325 O\n0.798124 0.916870 0.827325 O\n0.970799 0.298124 0.881254 O\n0.410455 0.583130 0.881255 O\n0.381254 0.083129 0.910455 O\n0.029201 0.827325 0.910455 O\n0.118745 0.089545 0.916870 O\n0.298124 0.827325 0.916871 O\n0.798124 0.381254 0.970799 O\n0.672675 0.589545 0.970799 O\n0.375000 0.250000 0.124999 Os\n0.250000 0.875000 0.124999 Os\n0.875000 0.124999 0.250000 Os\n0.375000 0.625000 0.250000 Os\n0.750000 0.624999 0.375000 Os\n0.125001 0.750000 0.375001 Os\n0.875000 0.250000 0.624999 Os\n0.250000 0.375000 0.625000 Os\n0.624999 0.375000 0.750000 Os\n0.124999 0.875000 0.750000 Os\n0.750000 0.124999 0.875000 Os\n0.625000 0.750000 0.875000 Os\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Co",
"Li",
"O",
"Os"
],
"chemical_system": "Co-Li-O-Os",
"density": 10.551004780084641,
"density_atomic": 0.14098423863523124,
"volume": 567.4393164400748,
"volume_molar": 4.271499295450391,
"formula_full": "Li12 Co8 Os12 O48",
"formula_reduced": "Li3Co2(OsO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.24616326672082,
"spacegroup": 230
},
{
"id": "oqmd-301409",
"created_at": "2022-09-04T15:16:59.947779Z",
"updated_at": "2022-09-04T15:16:59.947795Z",
"structure_string": "Ni1 B3\n1.0\n-1.503435 1.503435 3.138145\n1.503435 -1.503435 3.138145\n1.503435 1.503435 -3.138145\nB Ni\n3 1\ndirect\n0.500001 0.500001 0.000000 B\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Ni"
],
"chemical_system": "B-Ni",
"density": 5.33323843535737,
"density_atomic": 0.1409800566047309,
"volume": 28.372807447615756,
"volume_molar": 4.27162600514796,
"formula_full": "Ni1 B3",
"formula_reduced": "NiB3",
"formula_anonymous": "AB3",
"formation_energy": 0.779102304999999,
"spacegroup": 139
}
]
}