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=73",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=71",
"results": [
{
"id": "oqmd-603085",
"created_at": "2022-09-04T15:16:03.181803Z",
"updated_at": "2022-09-04T15:16:03.181833Z",
"structure_string": "C60\n1.0\n7.082962 -7.082962 0.000000\n-7.082962 0.000000 -7.082962\n7.082962 7.082962 0.000000\nC\n60\ndirect\n0.396614 0.102251 0.030339 C\n0.928088 0.324702 0.030339 C\n0.705637 0.633725 0.030339 C\n0.196126 0.427688 0.030705 C\n0.603017 0.799143 0.030705 C\n0.231562 0.834579 0.030705 C\n0.705637 0.102251 0.071912 C\n0.396614 0.366275 0.071912 C\n0.969661 0.675298 0.071912 C\n0.396983 0.165421 0.196126 C\n0.030705 0.427688 0.196126 C\n0.768438 0.799143 0.196126 C\n0.295321 0.000000 0.196511 C\n0.196511 0.491832 0.196511 C\n0.704678 0.901189 0.196511 C\n0.803873 0.200857 0.231562 C\n0.396983 0.427688 0.231562 C\n0.030705 0.834579 0.231562 C\n0.396614 0.324702 0.294363 C\n0.969661 0.366275 0.294363 C\n0.928088 0.897749 0.294363 C\n0.196511 0.000000 0.295321 C\n0.803489 0.098810 0.295321 C\n0.295321 0.491832 0.295321 C\n0.030339 0.102251 0.396614 C\n0.294363 0.324702 0.396614 C\n0.071912 0.366275 0.396614 C\n0.196126 0.165421 0.396983 C\n0.969294 0.200857 0.396983 C\n0.231562 0.427688 0.396983 C\n0.768438 0.572311 0.603017 C\n0.030705 0.799143 0.603017 C\n0.803873 0.834579 0.603017 C\n0.928088 0.633725 0.603386 C\n0.705637 0.675298 0.603386 C\n0.969661 0.897749 0.603386 C\n0.803489 0.000000 0.704678 C\n0.704678 0.508167 0.704678 C\n0.196511 0.901189 0.704678 C\n0.071912 0.102251 0.705637 C\n0.030339 0.633725 0.705637 C\n0.603386 0.675298 0.705637 C\n0.969294 0.165421 0.768438 C\n0.603017 0.572311 0.768438 C\n0.196126 0.799143 0.768438 C\n0.704678 0.000000 0.803489 C\n0.295321 0.098810 0.803489 C\n0.803489 0.508167 0.803489 C\n0.231562 0.200857 0.803873 C\n0.969294 0.572311 0.803873 C\n0.603017 0.834579 0.803873 C\n0.030339 0.324702 0.928088 C\n0.603386 0.633725 0.928088 C\n0.294363 0.897749 0.928088 C\n0.768438 0.165421 0.969294 C\n0.396983 0.200857 0.969294 C\n0.803873 0.572311 0.969294 C\n0.294363 0.366275 0.969661 C\n0.071912 0.675298 0.969661 C\n0.603386 0.897749 0.969661 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.6838133021877892,
"density_atomic": 0.08442605945398274,
"volume": 710.6810431286751,
"volume_molar": 7.133035461974187,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.376861808833329,
"spacegroup": 202
},
{
"id": "oqmd-9315",
"created_at": "2022-09-04T15:16:17.075009Z",
"updated_at": "2022-09-04T15:16:17.075042Z",
"structure_string": "Ti3\n1.0\n4.550057 0.000040 0.000000\n-2.274994 3.940485 0.000000\n0.000000 0.000000 2.809682\nTi\n3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666704 0.333391 0.500000 Ti\n0.333391 0.666704 0.500000 Ti\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.733481372351012,
"density_atomic": 0.05955186478991105,
"volume": 50.376256236198394,
"volume_molar": 10.112430200540485,
"formula_full": "Ti3",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 191
},
{
"id": "oqmd-1215204",
"created_at": "2022-09-04T15:16:16.479962Z",
"updated_at": "2022-09-04T15:16:16.479996Z",
"structure_string": "Tm1\n1.0\n1.960106 1.960106 -1.960106\n1.960106 -1.960106 1.960106\n-1.960106 -1.960106 -1.960106\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.312537554532652,
"density_atomic": 0.033197190791351465,
"volume": 30.123030779475478,
"volume_molar": 18.140513147181384,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"formation_energy": 0.14324681,
"spacegroup": 229
},
{
"id": "oqmd-1215357",
"created_at": "2022-09-04T15:16:16.695026Z",
"updated_at": "2022-09-04T15:16:16.695057Z",
"structure_string": "Pb2\n1.0\n3.535884 0.000000 0.000000\n-1.767941 3.062165 0.000000\n0.000000 0.000000 5.771815\nPb\n2\ndirect\n0.333333 0.666666 0.249999 Pb\n0.666666 0.333333 0.750000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 11.011078137921238,
"density_atomic": 0.03200302243669682,
"volume": 62.49409736083757,
"volume_molar": 18.81741254880542,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"formation_energy": 0.0136995499999997,
"spacegroup": 194
},
{
"id": "oqmd-1214548",
"created_at": "2022-09-04T15:16:22.040032Z",
"updated_at": "2022-09-04T15:16:22.040065Z",
"structure_string": "Nd1\n1.0\n0.000000 2.598800 -2.598800\n2.598800 0.000000 2.598800\n0.000000 -2.598800 -2.598800\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.823265383563197,
"density_atomic": 0.02848730924200512,
"volume": 35.10335046054401,
"volume_molar": 21.139731762100688,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"formation_energy": 0.0068487250000002,
"spacegroup": 225
},
{
"id": "oqmd-6089",
"created_at": "2022-09-04T15:16:43.012787Z",
"updated_at": "2022-09-04T15:16:43.012803Z",
"structure_string": "Pu16\n1.0\n5.940670 0.000000 -0.011371\n0.000000 4.500971 0.000000\n-2.174267 0.000000 10.623497\nPu\n16\ndirect\n0.697834 0.750000 0.071496 Pu\n0.134847 0.750000 0.109655 Pu\n0.335993 0.249999 0.160713 Pu\n0.749720 0.249999 0.170957 Pu\n0.106697 0.249999 0.326791 Pu\n0.559973 0.750000 0.365376 Pu\n0.981898 0.750000 0.381945 Pu\n0.650423 0.249999 0.465025 Pu\n0.349647 0.750000 0.534790 Pu\n0.017435 0.249999 0.618110 Pu\n0.439912 0.249999 0.634721 Pu\n0.893757 0.750000 0.673420 Pu\n0.250045 0.750000 0.828884 Pu\n0.664303 0.750000 0.839121 Pu\n0.865362 0.249999 0.890566 Pu\n0.302157 0.249999 0.928431 Pu\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.830737034349635,
"density_atomic": 0.05634832464053772,
"volume": 283.94810497150775,
"volume_molar": 10.687346604210472,
"formula_full": "Pu16",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 11
},
{
"id": "oqmd-752498",
"created_at": "2022-09-04T15:21:50.181988Z",
"updated_at": "2022-09-04T15:21:50.182016Z",
"structure_string": "Mg4\n1.0\n0.000000 -3.193517 0.000000\n-5.523290 0.000000 0.000000\n0.000000 0.000000 -5.187242\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500019 0.000000 Mg\n0.500000 0.166656 0.500000 Mg\n0.000000 0.666653 0.500000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7644165625045798,
"density_atomic": 0.043717609143591386,
"volume": 91.49631186055755,
"volume_molar": 13.775091726128379,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 5.51008333298242e-05,
"spacegroup": 194
},
{
"id": "oqmd-752513",
"created_at": "2022-09-04T15:21:50.317231Z",
"updated_at": "2022-09-04T15:21:50.317262Z",
"structure_string": "Mg4\n1.0\n0.000000 -3.193517 0.000000\n-5.523290 0.000000 0.000000\n0.000000 0.000000 -5.187242\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500019 0.000000 Mg\n0.500000 0.166656 0.500000 Mg\n0.000000 0.666653 0.500000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7644165625045798,
"density_atomic": 0.043717609143591386,
"volume": 91.49631186055755,
"volume_molar": 13.775091726128379,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 5.51008333298242e-05,
"spacegroup": 194
},
{
"id": "oqmd-755821",
"created_at": "2022-09-04T15:21:51.046359Z",
"updated_at": "2022-09-04T15:21:51.046386Z",
"structure_string": "Ti4\n1.0\n0.000000 -2.914657 0.000000\n-5.048670 0.000000 0.000000\n0.000000 0.000000 -4.621243\nTi\n4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499985 0.000000 Ti\n0.500001 0.166678 0.500002 Ti\n0.000000 0.666686 0.500002 Ti\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.675435329278335,
"density_atomic": 0.05882158831119819,
"volume": 68.00224398630354,
"volume_molar": 10.237977132034587,
"formula_full": "Ti4",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0137579916666706,
"spacegroup": 194
},
{
"id": "oqmd-752509",
"created_at": "2022-09-04T15:22:36.779588Z",
"updated_at": "2022-09-04T15:22:36.779609Z",
"structure_string": "Mg12\n1.0\n16.561815 0.000000 0.000000\n0.000000 3.193925 0.000000\n0.000000 0.000000 5.196898\nMg\n12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333344 0.000000 0.000000 Mg\n0.666664 0.000000 0.000000 Mg\n0.166674 0.499999 0.000000 Mg\n0.500005 0.499999 0.000000 Mg\n0.833329 0.499999 0.000000 Mg\n0.111111 0.000000 0.500000 Mg\n0.444436 0.000000 0.500000 Mg\n0.777765 0.000000 0.500000 Mg\n0.277776 0.499999 0.500000 Mg\n0.611095 0.499999 0.500000 Mg\n0.944435 0.499999 0.500000 Mg\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7617696861025733,
"density_atomic": 0.04365202649692316,
"volume": 274.9013267653411,
"volume_molar": 13.795787374096996,
"formula_full": "Mg12",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"formation_energy": 2.07791666599899e-05,
"spacegroup": 194
},
{
"id": "oqmd-1038223",
"created_at": "2022-09-04T15:30:29.705738Z",
"updated_at": "2022-09-04T15:30:29.705763Z",
"structure_string": "Ba3\n1.0\n0.000000 0.000000 -4.277316\n3.440089 -5.958448 0.000000\n-3.440090 -5.958448 0.000000\nBa\n3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.333328 0.333328 Ba\n0.500000 0.666672 0.666672 Ba\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.9014141763906602,
"density_atomic": 0.01710870064983823,
"volume": 175.34937698663668,
"volume_molar": 35.199287679727696,
"formula_full": "Ba3",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"formation_energy": 0.07544196,
"spacegroup": 191
},
{
"id": "oqmd-1215238",
"created_at": "2022-09-04T15:39:04.753223Z",
"updated_at": "2022-09-04T15:39:04.753248Z",
"structure_string": "Ga2\n1.0\n2.799417 0.000000 0.000000\n1.399709 2.635780 0.000000\n0.000000 0.000000 5.032314\nGa\n2\ndirect\n0.876927 0.246147 0.250000 Ga\n0.123072 0.753849 0.750001 Ga\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.2360655671792085,
"density_atomic": 0.05386237632792686,
"volume": 37.13167031145317,
"volume_molar": 11.180607263474203,
"formula_full": "Ga2",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"formation_energy": 0.0418210499999998,
"spacegroup": 63
}
]
}