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=14",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=12",
"results": [
{
"id": "oqmd-1104445",
"created_at": "2022-09-04T15:35:06.631353Z",
"updated_at": "2022-09-04T15:35:06.631365Z",
"structure_string": "H1 F1\n1.0\n0.000000 1.688269 1.688269\n1.688269 0.000000 1.688269\n1.688269 1.688269 0.000000\nF H\n1 1\ndirect\n0.000000 0.000000 0.000000 F\n0.499997 0.499997 0.499997 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 3.4519291900420224,
"density_atomic": 0.20781412450396972,
"volume": 9.623984918127139,
"volume_molar": 2.8978495924539356,
"formula_full": "H1 F1",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"formation_energy": -0.505938285657641,
"spacegroup": 225
},
{
"id": "oqmd-324112",
"created_at": "2022-09-04T14:50:58.756206Z",
"updated_at": "2022-09-04T14:50:58.756230Z",
"structure_string": "Cr2 H6\n1.0\n4.021445 0.000000 0.000000\n-2.010722 3.482674 0.000000\n0.000000 0.000000 2.749219\nCr H\n2 6\ndirect\n0.666666 0.333333 0.249998 Cr\n0.333333 0.666666 0.749998 Cr\n0.169552 0.339104 0.249998 H\n0.169554 0.830448 0.249998 H\n0.660894 0.830448 0.249998 H\n0.339108 0.169554 0.749998 H\n0.830447 0.169554 0.749998 H\n0.830447 0.660894 0.749998 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 4.745639606907888,
"density_atomic": 0.20777136512671507,
"volume": 38.50386214250929,
"volume_molar": 2.8984459703228262,
"formula_full": "Cr2 H6",
"formula_reduced": "CrH3",
"formula_anonymous": "AB3",
"formation_energy": 0.203265622111869,
"spacegroup": 194
},
{
"id": "oqmd-1104863",
"created_at": "2022-09-04T15:35:16.987366Z",
"updated_at": "2022-09-04T15:35:16.987377Z",
"structure_string": "H1 N1\n1.0\n0.000000 1.689739 1.689739\n1.689739 0.000000 1.689739\n1.689739 1.689739 0.000000\nH N\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 2.583896667379595,
"density_atomic": 0.20727222824699396,
"volume": 9.649146038111382,
"volume_molar": 2.9054257827651533,
"formula_full": "H1 N1",
"formula_reduced": "HN",
"formula_anonymous": "AB",
"formation_energy": 2.36039151623616,
"spacegroup": 225
},
{
"id": "oqmd-346216",
"created_at": "2022-09-04T14:51:07.841864Z",
"updated_at": "2022-09-04T14:51:07.841890Z",
"structure_string": "Li1 H3\n1.0\n2.682636 0.000000 0.000000\n0.000000 2.682636 0.000000\n0.000000 0.000000 2.682636\nH Li\n3 1\ndirect\n0.499997 0.499997 0.000000 H\n0.499997 0.000000 0.499997 H\n0.000000 0.499997 0.499997 H\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Li"
],
"chemical_system": "H-Li",
"density": 0.8571035829325695,
"density_atomic": 0.20719284138013555,
"volume": 19.305686303424075,
"volume_molar": 2.9065390096905963,
"formula_full": "Li1 H3",
"formula_reduced": "LiH3",
"formula_anonymous": "AB3",
"formation_energy": 0.585574843361869,
"spacegroup": 221
},
{
"id": "oqmd-1602938",
"created_at": "2022-09-04T16:00:00.463382Z",
"updated_at": "2022-09-04T16:00:00.463408Z",
"structure_string": "B1 H5\n1.0\n2.631405 0.000000 0.000000\n-1.315702 2.278863 0.000000\n0.000000 0.000000 4.832655\nB H\n1 5\ndirect\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.9082509039857932,
"density_atomic": 0.20704252018232158,
"volume": 28.979554512360078,
"volume_molar": 2.9086492739254255,
"formula_full": "B1 H5",
"formula_reduced": "BH5",
"formula_anonymous": "AB5",
"formation_energy": 1.137626293179854,
"spacegroup": 191
},
{
"id": "oqmd-328187",
"created_at": "2022-09-04T15:04:07.837332Z",
"updated_at": "2022-09-04T15:04:07.837364Z",
"structure_string": "H1 C1\n1.0\n1.032897 0.596343 2.629555\n-1.032897 0.596343 2.629555\n0.000000 -1.192686 2.629555\nC H\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.500001 0.500001 0.500001 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"C",
"H"
],
"chemical_system": "C-H",
"density": 2.224477739272968,
"density_atomic": 0.20579903996143692,
"volume": 9.718218318096937,
"volume_molar": 2.9262239323995103,
"formula_full": "H1 C1",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"formation_energy": 2.71324479015791,
"spacegroup": 166
},
{
"id": "oqmd-303853",
"created_at": "2022-09-04T14:49:48.524521Z",
"updated_at": "2022-09-04T14:49:48.524551Z",
"structure_string": "V1 H3\n1.0\n-1.507406 1.507406 2.141096\n1.507406 -1.507406 2.141096\n1.507406 1.507406 -2.141096\nH V\n3 1\ndirect\n0.500001 0.500001 0.000000 H\n0.749998 0.250000 0.499998 H\n0.250000 0.749998 0.499998 H\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"V"
],
"chemical_system": "H-V",
"density": 4.604762584944189,
"density_atomic": 0.20554332643629977,
"volume": 19.460617230205457,
"volume_molar": 2.9298644059194645,
"formula_full": "V1 H3",
"formula_reduced": "VH3",
"formula_anonymous": "AB3",
"formation_energy": 0.124709538361869,
"spacegroup": 225
},
{
"id": "oqmd-314395",
"created_at": "2022-09-04T14:50:33.619082Z",
"updated_at": "2022-09-04T14:50:33.619116Z",
"structure_string": "V1 H3\n1.0\n0.000000 2.135143 2.135143\n2.135143 0.000000 2.135143\n2.135143 2.135143 0.000000\nH V\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250002 0.250002 0.250002 H\n0.499999 0.499999 0.499999 H\n0.750001 0.750001 0.750001 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"V"
],
"chemical_system": "H-V",
"density": 4.603127003681442,
"density_atomic": 0.20547031880404934,
"volume": 19.46753196900753,
"volume_molar": 2.930905444179083,
"formula_full": "V1 H3",
"formula_reduced": "VH3",
"formula_anonymous": "AB3",
"formation_energy": 0.12460346586187,
"spacegroup": 225
},
{
"id": "oqmd-1281552",
"created_at": "2022-09-04T15:42:17.918930Z",
"updated_at": "2022-09-04T15:42:17.918951Z",
"structure_string": "Sc2 Cu2 O4\n1.0\n1.417458 -3.837310 0.000000\n1.417458 3.837310 0.000000\n0.000000 0.000000 3.579138\nCu O Sc\n2 4 2\ndirect\n0.497797 0.502203 0.250000 Cu\n0.502203 0.497797 0.750000 Cu\n0.605846 0.394154 0.003585 O\n0.605846 0.394154 0.496415 O\n0.394154 0.605846 0.503585 O\n0.394154 0.605846 0.996415 O\n0.199540 0.800460 0.250000 Sc\n0.800460 0.199540 0.750000 Sc\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"O",
"Sc"
],
"chemical_system": "Cu-O-Sc",
"density": 11.984284048547183,
"density_atomic": 0.2054681273732323,
"volume": 38.93547920193004,
"volume_molar": 2.9309367039009397,
"formula_full": "Sc2 Cu2 O4",
"formula_reduced": "ScCuO2",
"formula_anonymous": "ABC2",
"formation_energy": -2.27516863586113,
"spacegroup": 63
},
{
"id": "oqmd-1729546",
"created_at": "2022-09-04T16:03:16.596957Z",
"updated_at": "2022-09-04T16:03:16.596986Z",
"structure_string": "Fe2 H6 C1\n1.0\n0.000000 2.798144 2.798144\n2.798144 0.000000 2.798144\n2.798144 2.798144 0.000000\nC Fe H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.723395 0.276605 0.276605 H\n0.276605 0.723395 0.276605 H\n0.723395 0.723395 0.276605 H\n0.276605 0.276605 0.723395 H\n0.723395 0.276605 0.723395 H\n0.276605 0.723395 0.723395 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"C",
"Fe",
"H"
],
"chemical_system": "C-Fe-H",
"density": 4.917119125375009,
"density_atomic": 0.2054008950344688,
"volume": 43.81675161877795,
"volume_molar": 2.9318960654915407,
"formula_full": "Fe2 H6 C1",
"formula_reduced": "Fe2H6C",
"formula_anonymous": "AB2C6",
"formation_energy": 0.9716420477105498,
"spacegroup": 225
},
{
"id": "oqmd-308133",
"created_at": "2022-09-04T15:15:52.980679Z",
"updated_at": "2022-09-04T15:15:52.980710Z",
"structure_string": "H3 F1\n1.0\n0.004073 2.138038 2.138038\n2.138038 0.004073 2.138038\n2.138038 2.138038 0.004073\nF H\n1 3\ndirect\n0.750002 0.750002 0.750002 F\n0.250003 0.250003 0.250003 H\n0.500123 0.500123 0.500123 H\n0.999879 0.999879 0.999879 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 1.8761898638657228,
"density_atomic": 0.2052232302611337,
"volume": 19.490970856029556,
"volume_molar": 2.934434251101692,
"formula_full": "H3 F1",
"formula_reduced": "H3F",
"formula_anonymous": "AB3",
"formation_energy": 0.970725786079092,
"spacegroup": 225
},
{
"id": "oqmd-321730",
"created_at": "2022-09-04T14:50:53.940179Z",
"updated_at": "2022-09-04T14:50:53.940207Z",
"structure_string": "Li2 H6\n1.0\n3.983760 0.000000 0.000000\n-1.991880 3.450037 0.000000\n0.000000 0.000000 2.844248\nH Li\n6 2\ndirect\n0.128107 0.256215 0.249999 H\n0.128108 0.871895 0.249999 H\n0.743787 0.871895 0.249999 H\n0.256213 0.128106 0.750001 H\n0.871895 0.128106 0.750001 H\n0.871893 0.743786 0.750001 H\n0.666666 0.333333 0.249999 Li\n0.333333 0.666665 0.750001 Li\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Li"
],
"chemical_system": "H-Li",
"density": 0.8465725269819099,
"density_atomic": 0.20464710542872955,
"volume": 39.091684112708265,
"volume_molar": 2.942695303402311,
"formula_full": "Li2 H6",
"formula_reduced": "LiH3",
"formula_anonymous": "AB3",
"formation_energy": 0.539362640861869,
"spacegroup": 194
}
]
}