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=nelements&page=94",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=92",
"results": [
{
"id": "oqmd-22516",
"created_at": "2022-09-04T14:48:47.886325Z",
"updated_at": "2022-09-04T14:48:47.886350Z",
"structure_string": "Ni1\n1.0\n1.395067 1.395067 -1.395067\n1.395067 -1.395067 1.395067\n-1.395067 -1.395067 -1.395067\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.974146958614995,
"density_atomic": 0.09207777399908966,
"volume": 10.860384179247063,
"volume_molar": 6.540276223510289,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"formation_energy": 0.0907972999999993,
"spacegroup": 229
},
{
"id": "oqmd-1216058",
"created_at": "2022-09-04T14:48:47.220549Z",
"updated_at": "2022-09-04T14:48:47.220578Z",
"structure_string": "Lu3\n1.0\n-1.733802 3.003035 0.000000\n3.467606 -0.000000 -0.000000\n1.733802 -1.001012 -8.292372\nLu\n3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.777937 0.222061 0.333814 Lu\n0.222062 0.777939 0.666186 Lu\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 10.093867079918791,
"density_atomic": 0.034741801819204596,
"volume": 86.35130715476186,
"volume_molar": 17.333990883199036,
"formula_full": "Lu3",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"formation_energy": 0.0125899016666704,
"spacegroup": 166
},
{
"id": "oqmd-1521875",
"created_at": "2022-09-04T15:54:09.966722Z",
"updated_at": "2022-09-04T15:54:09.966745Z",
"structure_string": "Nb1\n1.0\n-1.659699 1.659699 1.659699\n1.659699 -1.659699 1.659699\n1.659699 1.659699 -1.659699\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.436195737812884,
"density_atomic": 0.05468295958746643,
"volume": 18.287232577462838,
"volume_molar": 11.012828869233884,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 229
},
{
"id": "oqmd-1521905",
"created_at": "2022-09-04T15:54:09.305787Z",
"updated_at": "2022-09-04T15:54:09.305818Z",
"structure_string": "In1\n1.0\n-1.877567 1.877567 1.877567\n1.877567 -1.877567 1.877567\n1.877567 1.877567 -1.877567\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 7.2013306694866435,
"density_atomic": 0.03777058210902512,
"volume": 26.47563114366337,
"volume_molar": 15.943997745698061,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"formation_energy": 0.0161621499999999,
"spacegroup": 229
},
{
"id": "oqmd-1484491",
"created_at": "2022-09-04T15:52:54.719653Z",
"updated_at": "2022-09-04T15:52:54.719674Z",
"structure_string": "Ni13\n1.0\n2.292974 1.323849 8.001025\n-2.292974 1.323849 8.001025\n0.000000 -2.647698 8.001025\nNi\n13\ndirect\n0.000000 0.000000 0.000000 Ni\n0.583996 0.089037 0.089037 Ni\n0.089037 0.583996 0.089037 Ni\n0.165815 0.165815 0.165815 Ni\n0.348378 0.348378 0.348378 Ni\n0.910963 0.910963 0.416004 Ni\n0.452394 0.452394 0.452394 Ni\n0.547606 0.547606 0.547606 Ni\n0.089037 0.089037 0.583996 Ni\n0.651622 0.651622 0.651622 Ni\n0.834185 0.834185 0.834185 Ni\n0.910963 0.416004 0.910963 Ni\n0.416004 0.910963 0.910963 Ni\n",
"nsites": 13,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.694552978002415,
"density_atomic": 0.08920904547513375,
"volume": 145.72513281317012,
"volume_molar": 6.75059432362004,
"formula_full": "Ni13",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"formation_energy": 0.1619825092307687,
"spacegroup": 166
},
{
"id": "oqmd-1280329",
"created_at": "2022-09-04T15:42:15.901797Z",
"updated_at": "2022-09-04T15:42:15.901819Z",
"structure_string": "Pt8\n1.0\n4.492564 0.000000 0.000000\n0.000000 4.492564 0.000000\n0.000000 0.000000 4.492564\nPt\n8\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.250000 0.000000 Pt\n0.500000 0.750000 0.000000 Pt\n0.000000 0.500000 0.250000 Pt\n0.250000 0.000000 0.500000 Pt\n0.750000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.500000 0.750000 Pt\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pt"
],
"chemical_system": "Pt",
"density": 28.581032790320158,
"density_atomic": 0.0882281492018639,
"volume": 90.67400905912908,
"volume_molar": 6.825645572844881,
"formula_full": "Pt8",
"formula_reduced": "Pt",
"formula_anonymous": "A",
"formation_energy": 0.256335755,
"spacegroup": 223
},
{
"id": "oqmd-1520484",
"created_at": "2022-09-04T15:54:13.962158Z",
"updated_at": "2022-09-04T15:54:13.962195Z",
"structure_string": "Cu8\n1.0\n4.183439 0.000000 0.000000\n0.000000 5.110414 0.000000\n0.000000 0.000000 4.398653\nCu\n8\ndirect\n0.500000 0.249791 0.164426 Cu\n0.500000 0.750209 0.164426 Cu\n0.000000 0.000000 0.334567 Cu\n0.000000 0.500000 0.334874 Cu\n0.500000 0.000000 0.665126 Cu\n0.500000 0.500000 0.665433 Cu\n0.000000 0.250209 0.835574 Cu\n0.000000 0.749791 0.835574 Cu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.976728187469492,
"density_atomic": 0.0850708474614966,
"volume": 94.03926537373255,
"volume_molar": 7.078971163095143,
"formula_full": "Cu8",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"formation_energy": 0.0083288412499999,
"spacegroup": 194
},
{
"id": "oqmd-1522144",
"created_at": "2022-09-04T15:54:09.645353Z",
"updated_at": "2022-09-04T15:54:09.645380Z",
"structure_string": "Au1\n1.0\n-1.651917 1.651917 1.651917\n1.651917 -1.651917 1.651917\n1.651917 1.651917 -1.651917\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.139151094584225,
"density_atomic": 0.055459422251622856,
"volume": 18.031201180981252,
"volume_molar": 10.858643158374734,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.0182637200000002,
"spacegroup": 229
},
{
"id": "oqmd-1522121",
"created_at": "2022-09-04T15:54:09.631744Z",
"updated_at": "2022-09-04T15:54:09.631776Z",
"structure_string": "Fe1\n1.0\n-1.410669 1.410669 1.410669\n1.410669 -1.410669 1.410669\n1.410669 1.410669 -1.410669\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.258440296293195,
"density_atomic": 0.08905629857555834,
"volume": 11.228852040729793,
"volume_molar": 6.762172756248807,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 229
},
{
"id": "oqmd-1520092",
"created_at": "2022-09-04T15:54:27.589016Z",
"updated_at": "2022-09-04T15:54:27.589050Z",
"structure_string": "Au10\n1.0\n7.216383 0.000000 0.000000\n0.000000 7.216383 0.000000\n0.000000 0.000000 3.674125\nAu\n10\ndirect\n0.000000 0.000000 0.000000 Au\n0.639737 0.139737 0.000000 Au\n0.139737 0.360263 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.860263 0.639737 0.000000 Au\n0.360263 0.860263 0.000000 Au\n0.340477 0.159523 0.500000 Au\n0.840477 0.340477 0.500000 Au\n0.159523 0.659523 0.500000 Au\n0.659523 0.840477 0.500000 Au\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 17.094190528617705,
"density_atomic": 0.05226451478533383,
"volume": 191.33440807922975,
"volume_molar": 11.522427376844028,
"formula_full": "Au10",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.1161850600000002,
"spacegroup": 127
},
{
"id": "oqmd-8086",
"created_at": "2022-09-04T14:48:47.512668Z",
"updated_at": "2022-09-04T14:48:47.512692Z",
"structure_string": "Ne1\n1.0\n2.231100 -2.231100 0.000000\n-2.231100 0.000000 -2.231100\n2.231100 2.231100 0.000000\nNe\n1\ndirect\n0.000000 0.000000 0.000000 Ne\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 1.5086090154139333,
"density_atomic": 0.04502076763166607,
"volume": 22.211971332462003,
"volume_molar": 13.376361792117095,
"formula_full": "Ne1",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 225
},
{
"id": "oqmd-1216070",
"created_at": "2022-09-04T15:39:09.418762Z",
"updated_at": "2022-09-04T15:39:09.418780Z",
"structure_string": "Os3\n1.0\n-1.373533 2.379029 0.000000\n2.747066 0.000000 -0.000000\n1.373533 -0.793010 -6.556357\nOs\n3\ndirect\n0.000000 0.000000 0.000000 Os\n0.779237 0.220763 0.337710 Os\n0.220763 0.779239 0.662289 Os\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 22.11657828630567,
"density_atomic": 0.07001479662288791,
"volume": 42.84808561479556,
"volume_molar": 8.601240095627666,
"formula_full": "Os3",
"formula_reduced": "Os",
"formula_anonymous": "A",
"formation_energy": 0.0448412499999993,
"spacegroup": 166
}
]
}