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=34",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=32",
"results": [
{
"id": "oqmd-51173",
"created_at": "2022-09-04T15:15:50.595934Z",
"updated_at": "2022-09-04T15:15:50.595957Z",
"structure_string": "Tb2\n1.0\n3.615215 0.000000 0.000000\n-1.807608 3.130771 0.000000\n0.000000 0.000000 5.690721\nTb\n2\ndirect\n0.333303 0.666606 0.250000 Tb\n0.666698 0.333394 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.194444971886046,
"density_atomic": 0.0310511199678501,
"volume": 64.40991507136529,
"volume_molar": 19.39427874497036,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"formation_energy": 0.0123508016666696,
"spacegroup": 194
},
{
"id": "oqmd-85661",
"created_at": "2022-09-04T15:15:50.639074Z",
"updated_at": "2022-09-04T15:15:50.639101Z",
"structure_string": "P2\n1.0\n3.602633 -0.001939 -0.001346\n1.933528 3.039808 -0.001346\n1.933528 1.060990 2.848639\nP\n2\ndirect\n0.231928 0.231925 0.231926 P\n0.768072 0.768075 0.768075 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.2951674593623603,
"density_atomic": 0.06406700702003638,
"volume": 31.217315948199637,
"volume_molar": 9.399753539472554,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"formation_energy": 0.0835660469047594,
"spacegroup": 166
},
{
"id": "oqmd-620946",
"created_at": "2022-09-04T15:15:50.673047Z",
"updated_at": "2022-09-04T15:15:50.673076Z",
"structure_string": "Cs2\n1.0\n5.097755 0.000000 0.000000\n0.000000 5.097755 0.000000\n-2.548878 -2.548878 9.269996\nCs\n2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.750000 0.499999 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8322487086355879,
"density_atomic": 0.008302187364629,
"volume": 240.90036904260762,
"volume_molar": 72.53679657552648,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"formation_energy": 0.0548428400000001,
"spacegroup": 141
},
{
"id": "oqmd-589491",
"created_at": "2022-09-04T15:15:50.693785Z",
"updated_at": "2022-09-04T15:15:50.693823Z",
"structure_string": "C4\n1.0\n1.231556 -2.133117 0.000000\n-2.463112 0.000000 0.000000\n1.231556 -0.711039 -11.119419\nC\n4\ndirect\n0.283103 0.716899 0.150692 C\n0.949692 0.050309 0.150929 C\n0.050310 0.949692 0.849071 C\n0.716899 0.283102 0.849308 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3655150018009143,
"density_atomic": 0.06846664685304407,
"volume": 58.42260697512394,
"volume_molar": 8.795729069258854,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.0038222700000005,
"spacegroup": 166
},
{
"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-614417",
"created_at": "2022-09-04T15:16:03.201689Z",
"updated_at": "2022-09-04T15:16:03.201715Z",
"structure_string": "C60\n1.0\n-4.588665 7.947801 -0.000000\n9.177330 0.000000 0.000000\n-4.588665 -2.649267 -8.203550\nC\n60\ndirect\n0.916991 0.388845 0.033954 C\n0.916991 0.562100 0.033954 C\n0.645110 0.116964 0.033954 C\n0.645110 0.562100 0.033954 C\n0.471854 0.116963 0.033954 C\n0.471854 0.388844 0.033954 C\n0.571634 0.821122 0.070612 C\n0.249489 0.498978 0.070612 C\n0.249489 0.821123 0.070612 C\n0.945103 0.400528 0.191515 C\n0.945103 0.736090 0.191515 C\n0.790987 0.246411 0.191515 C\n0.790987 0.736090 0.191515 C\n0.455425 0.246411 0.191515 C\n0.455425 0.400528 0.191515 C\n0.693712 0.956933 0.220155 C\n0.263221 0.526443 0.220155 C\n0.263221 0.956933 0.220155 C\n0.803553 0.172370 0.283603 C\n0.803553 0.914786 0.283603 C\n0.368816 0.172370 0.283603 C\n0.368816 0.480050 0.283603 C\n0.111233 0.480050 0.283603 C\n0.111233 0.914786 0.283603 C\n0.972638 0.098002 0.381341 C\n0.972638 0.255977 0.381341 C\n0.283339 0.255978 0.381341 C\n0.283339 0.408702 0.381341 C\n0.125363 0.098002 0.381341 C\n0.125363 0.408702 0.381341 C\n0.874636 0.591297 0.618659 C\n0.874636 0.901998 0.618659 C\n0.716661 0.591298 0.618659 C\n0.716661 0.744022 0.618659 C\n0.027361 0.744023 0.618659 C\n0.027361 0.901998 0.618659 C\n0.888768 0.085215 0.716397 C\n0.888768 0.519950 0.716397 C\n0.631183 0.519950 0.716397 C\n0.631183 0.827630 0.716397 C\n0.196446 0.085214 0.716397 C\n0.196446 0.827630 0.716397 C\n0.736778 0.043067 0.779845 C\n0.736778 0.473557 0.779845 C\n0.306288 0.043067 0.779845 C\n0.544575 0.599472 0.808485 C\n0.544575 0.753589 0.808485 C\n0.209014 0.263911 0.808485 C\n0.209014 0.753589 0.808485 C\n0.054896 0.263910 0.808485 C\n0.054896 0.599472 0.808485 C\n0.750510 0.178877 0.929388 C\n0.750510 0.501022 0.929388 C\n0.428366 0.178877 0.929388 C\n0.528147 0.611156 0.966046 C\n0.528147 0.883037 0.966046 C\n0.354891 0.437901 0.966046 C\n0.354891 0.883037 0.966046 C\n0.083010 0.437900 0.966046 C\n0.083010 0.611156 0.966046 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.9998780090954005,
"density_atomic": 0.10027348012824444,
"volume": 598.3635944744632,
"volume_molar": 6.00571631930796,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.3998130875,
"spacegroup": 166
},
{
"id": "oqmd-1280429",
"created_at": "2022-09-04T15:42:17.732821Z",
"updated_at": "2022-09-04T15:42:17.732833Z",
"structure_string": "Ga8\n1.0\n5.021164 0.000000 0.000000\n0.000000 5.021164 0.000000\n0.000000 0.000000 5.021164\nGa\n8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.000000 0.500000 0.250000 Ga\n0.250000 0.000000 0.500000 Ga\n0.750000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 7.316475633734941,
"density_atomic": 0.0631941341432361,
"volume": 126.59402820311084,
"volume_molar": 9.529588215181793,
"formula_full": "Ga8",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"formation_energy": 0.0615931137499999,
"spacegroup": 223
},
{
"id": "oqmd-1215719",
"created_at": "2022-09-04T15:16:14.997516Z",
"updated_at": "2022-09-04T15:16:14.997538Z",
"structure_string": "Pu1\n1.0\n-3.369681 0.000000 0.000000\n0.000000 -3.369681 0.000000\n1.684841 1.684841 2.366818\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 15.076359404048933,
"density_atomic": 0.037209819061847595,
"volume": 26.874626784340684,
"volume_molar": 16.184278536776578,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"formation_energy": 0.321851110000001,
"spacegroup": 225
},
{
"id": "oqmd-637130",
"created_at": "2022-09-04T15:16:15.193093Z",
"updated_at": "2022-09-04T15:16:15.193118Z",
"structure_string": "C16\n1.0\n9.044234 0.000000 0.000000\n0.000000 2.516127 0.000000\n0.000000 0.000000 4.144447\nC\n16\ndirect\n0.963313 0.249999 0.068364 C\n0.195160 0.750002 0.075508 C\n0.520684 0.249999 0.091638 C\n0.689497 0.249999 0.199185 C\n0.189496 0.249999 0.300817 C\n0.020684 0.249999 0.408361 C\n0.695160 0.750002 0.424493 C\n0.463313 0.249999 0.431635 C\n0.536687 0.750002 0.568363 C\n0.304841 0.249999 0.575507 C\n0.979316 0.750002 0.591637 C\n0.810503 0.750002 0.699184 C\n0.310503 0.750002 0.800816 C\n0.479316 0.750002 0.908363 C\n0.804840 0.249999 0.924493 C\n0.036687 0.750002 0.931635 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3835021831638787,
"density_atomic": 0.1696481172273195,
"volume": 94.31286513224809,
"volume_molar": 3.5497834331580878,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.2823235575,
"spacegroup": 62
},
{
"id": "oqmd-107684",
"created_at": "2022-09-04T15:16:15.188627Z",
"updated_at": "2022-09-04T15:16:15.188653Z",
"structure_string": "Ga4\n1.0\n-2.016145 -2.292950 0.000000\n-2.016145 2.292950 0.000000\n0.000000 0.000000 -8.103026\nGa\n4\ndirect\n0.227043 0.772955 0.126052 Ga\n0.727045 0.272953 0.373948 Ga\n0.272953 0.727045 0.626051 Ga\n0.772955 0.227043 0.873949 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.181467331591111,
"density_atomic": 0.05339079842669945,
"volume": 74.91927668943974,
"volume_molar": 11.279360746529823,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"formation_energy": 0.0225417099999996,
"spacegroup": 64
},
{
"id": "oqmd-1280339",
"created_at": "2022-09-04T15:42:17.713169Z",
"updated_at": "2022-09-04T15:42:17.713198Z",
"structure_string": "Be8\n1.0\n3.094545 0.000000 0.000000\n0.000000 3.094545 0.000000\n0.000000 0.000000 3.094545\nBe\n8\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 4.0399745637291495,
"density_atomic": 0.2699600995408683,
"volume": 29.63400892800793,
"volume_molar": 2.230752163094506,
"formula_full": "Be8",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.10562567125,
"spacegroup": 223
},
{
"id": "oqmd-1215119",
"created_at": "2022-09-04T15:39:04.515904Z",
"updated_at": "2022-09-04T15:39:04.515925Z",
"structure_string": "Xe4\n1.0\n0.000000 0.000000 4.752656\n6.910740 0.000000 0.000000\n3.455370 7.813319 0.000000\nXe\n4\ndirect\n0.985188 0.366571 0.266857 Xe\n0.514813 0.866571 0.266857 Xe\n0.485188 0.133429 0.733143 Xe\n0.014813 0.633429 0.733143 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 3.3982409567989142,
"density_atomic": 0.01558703463650941,
"volume": 256.62353958146895,
"volume_molar": 38.63557694222594,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"formation_energy": 0.0131498975,
"spacegroup": 64
}
]
}