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=spacegroup&page=96",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=94",
"results": [
{
"id": "oqmd-1103357",
"created_at": "2022-09-04T15:35:33.828060Z",
"updated_at": "2022-09-04T15:35:33.828085Z",
"structure_string": "Li4 Ni4 S4 O4\n1.0\n5.494741 0.213397 1.083493\n0.365485 7.170477 0.092986\n0.926007 0.017910 5.349551\nLi Ni O S\n4 4 4 4\ndirect\n0.007073 0.967439 0.110517 Li\n0.525462 0.890631 0.423142 Li\n0.049424 0.126081 0.531513 Li\n0.555148 0.022768 0.888627 Li\n0.831227 0.549714 0.218064 Ni\n0.446526 0.281973 0.328374 Ni\n0.651204 0.628523 0.887120 Ni\n0.233590 0.309847 0.890760 Ni\n0.731432 0.822025 0.064353 O\n0.247747 0.144545 0.168388 O\n0.852425 0.921223 0.518001 O\n0.363760 0.112784 0.621230 O\n0.204739 0.609808 0.219226 S\n0.023178 0.755454 0.588965 S\n0.478130 0.541374 0.605312 S\n0.798935 0.315810 0.936405 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"S"
],
"chemical_system": "Li-Ni-O-S",
"density": 3.716988359161214,
"density_atomic": 0.07874921146005333,
"volume": 203.17663762406346,
"volume_molar": 7.647239443222638,
"formula_full": "Li4 Ni4 S4 O4",
"formula_reduced": "LiNiSO",
"formula_anonymous": "ABCD",
"formation_energy": -0.957791884082448,
"spacegroup": 1
},
{
"id": "oqmd-1201627",
"created_at": "2022-09-04T15:36:50.990515Z",
"updated_at": "2022-09-04T15:36:50.990541Z",
"structure_string": "Ac4 N4 O2\n1.0\n4.327937 0.000000 0.000000\n0.000000 6.621211 0.000000\n-2.163969 0.000000 6.810633\nAc N O\n4 4 2\ndirect\n0.426334 0.166405 0.328518 Ac\n0.166405 0.426334 0.328518 Ac\n0.833595 0.573666 0.828516 Ac\n0.573666 0.833595 0.828516 Ac\n0.989931 0.604366 0.195982 N\n0.604366 0.989931 0.195982 N\n0.395634 0.010069 0.695983 N\n0.010069 0.395634 0.695983 N\n0.369777 0.369777 0.044595 O\n0.630224 0.630224 0.544595 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ac",
"N",
"O"
],
"chemical_system": "Ac-N-O",
"density": 8.474493711753322,
"density_atomic": 0.051238235261774234,
"volume": 195.16675289284208,
"volume_molar": 11.753216575928322,
"formula_full": "Ac4 N4 O2",
"formula_reduced": "Ac2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": -1.27130613831315,
"spacegroup": 1
},
{
"id": "oqmd-1201642",
"created_at": "2022-09-04T15:36:51.130342Z",
"updated_at": "2022-09-04T15:36:51.130366Z",
"structure_string": "Cu4 N4 O2\n1.0\n4.892882 0.000000 0.000000\n0.000000 5.550032 0.000000\n0.000000 -2.775016 4.809312\nCu N O\n4 4 2\ndirect\n0.824869 0.500571 0.295955 Cu\n0.500571 0.824869 0.295955 Cu\n0.499429 0.175131 0.795955 Cu\n0.175131 0.499429 0.795955 Cu\n0.566194 0.162117 0.157102 N\n0.162117 0.566194 0.157102 N\n0.837883 0.433806 0.657102 N\n0.433806 0.837883 0.657102 N\n0.782816 0.782816 0.187487 O\n0.217183 0.217183 0.687489 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"N",
"O"
],
"chemical_system": "Cu-N-O",
"density": 4.351090378518518,
"density_atomic": 0.07656967755426894,
"volume": 130.60000145504696,
"volume_molar": 7.864915920184977,
"formula_full": "Cu4 N4 O2",
"formula_reduced": "Cu2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": 1.02277006501205,
"spacegroup": 1
},
{
"id": "oqmd-1201643",
"created_at": "2022-09-04T15:36:51.208268Z",
"updated_at": "2022-09-04T15:36:51.208297Z",
"structure_string": "Dy4 N4 O2\n1.0\n4.699964 0.000000 0.000000\n0.000000 4.876950 0.000000\n-2.349982 0.000000 6.137679\nDy N O\n4 4 2\ndirect\n0.412595 0.132525 0.270390 Dy\n0.132525 0.412595 0.270390 Dy\n0.867475 0.587405 0.770391 Dy\n0.587405 0.867475 0.770391 Dy\n0.952869 0.611706 0.267013 N\n0.611706 0.952869 0.267013 N\n0.388294 0.047131 0.767014 N\n0.047131 0.388294 0.767014 N\n0.491926 0.491926 0.018786 O\n0.508075 0.508075 0.518787 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"N",
"O"
],
"chemical_system": "Dy-N-O",
"density": 8.711110411132282,
"density_atomic": 0.07108091249120488,
"volume": 140.68474432200543,
"volume_molar": 8.472233330917273,
"formula_full": "Dy4 N4 O2",
"formula_reduced": "Dy2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": -1.42814316897982,
"spacegroup": 1
},
{
"id": "oqmd-1201647",
"created_at": "2022-09-04T15:36:51.536796Z",
"updated_at": "2022-09-04T15:36:51.536826Z",
"structure_string": "Ga4 N4 O2\n1.0\n4.415173 0.000000 0.000000\n0.000000 5.657490 0.000000\n-2.207587 0.000000 5.390815\nGa N O\n4 4 2\ndirect\n0.324745 0.026166 0.182984 Ga\n0.026166 0.324745 0.182984 Ga\n0.973834 0.675255 0.682985 Ga\n0.675255 0.973834 0.682985 Ga\n0.644142 0.093725 0.383218 N\n0.093725 0.644142 0.383218 N\n0.906275 0.355858 0.883219 N\n0.355858 0.906275 0.883219 N\n0.299910 0.299910 0.273994 O\n0.700089 0.700089 0.773997 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 4.524719833471712,
"density_atomic": 0.07426326713721804,
"volume": 134.65607406583337,
"volume_molar": 8.10917832213434,
"formula_full": "Ga4 N4 O2",
"formula_reduced": "Ga2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": -0.194828745313153,
"spacegroup": 1
},
{
"id": "oqmd-824648",
"created_at": "2022-09-04T15:36:51.832306Z",
"updated_at": "2022-09-04T15:36:51.832342Z",
"structure_string": "Li1 Sb2 P1\n1.0\n4.432562 0.000000 0.000000\n0.115989 4.510151 0.000000\n1.639016 2.153874 5.105454\nLi P Sb\n1 1 2\ndirect\n0.017206 0.781145 0.203453 Li\n0.263852 0.268047 0.207109 P\n0.370686 0.008864 0.644665 Sb\n0.729061 0.427256 0.786589 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"P",
"Sb"
],
"chemical_system": "Li-P-Sb",
"density": 4.578746163912676,
"density_atomic": 0.03919040237527033,
"volume": 102.06580584954784,
"volume_molar": 15.366366240220213,
"formula_full": "Li1 Sb2 P1",
"formula_reduced": "LiSb2P",
"formula_anonymous": "ABC2",
"formation_energy": -0.124436889739985,
"spacegroup": 1
},
{
"id": "oqmd-1201670",
"created_at": "2022-09-04T15:36:51.644281Z",
"updated_at": "2022-09-04T15:36:51.644317Z",
"structure_string": "Pd4 N4 O2\n1.0\n4.700709 0.000000 0.000000\n0.000000 5.007897 0.000000\n-2.350355 0.000000 4.857352\nN O Pd\n4 2 4\ndirect\n0.682152 0.033440 0.298640 N\n0.033440 0.682152 0.298640 N\n0.966560 0.317848 0.798639 N\n0.317848 0.966560 0.798639 N\n0.392399 0.392399 0.472612 O\n0.607601 0.607601 0.972614 O\n0.375118 0.109130 0.168254 Pd\n0.109130 0.375118 0.168254 Pd\n0.890870 0.624882 0.668255 Pd\n0.624882 0.890870 0.668255 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"N",
"O",
"Pd"
],
"chemical_system": "N-O-Pd",
"density": 7.460107161553002,
"density_atomic": 0.08745440078340909,
"volume": 114.34530350011948,
"volume_molar": 6.886035129226403,
"formula_full": "Pd4 N4 O2",
"formula_reduced": "Pd2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": 0.806716348686847,
"spacegroup": 1
},
{
"id": "oqmd-825187",
"created_at": "2022-09-04T15:36:52.254612Z",
"updated_at": "2022-09-04T15:36:52.254637Z",
"structure_string": "Ca3 C3 S1\n1.0\n3.896836 0.000000 0.000000\n1.137792 5.295380 0.000000\n1.867368 1.968957 5.994685\nC Ca S\n3 3 1\ndirect\n0.243592 0.417106 0.089334 C\n0.042229 0.568321 0.211434 C\n0.832999 0.722040 0.333968 C\n0.451037 0.926934 0.033645 Ca\n0.681267 0.188060 0.353782 Ca\n0.222172 0.585901 0.660441 Ca\n0.054561 0.087708 0.700365 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"C",
"Ca",
"S"
],
"chemical_system": "C-Ca-S",
"density": 2.5281073635568214,
"density_atomic": 0.056587748298051056,
"volume": 123.70168827235501,
"volume_molar": 10.642128271796615,
"formula_full": "Ca3 C3 S1",
"formula_reduced": "Ca3C3S",
"formula_anonymous": "AB3C3",
"formation_energy": -0.683105599501908,
"spacegroup": 1
},
{
"id": "oqmd-1201639",
"created_at": "2022-09-04T15:36:52.254190Z",
"updated_at": "2022-09-04T15:36:52.254212Z",
"structure_string": "Co4 N4 O2\n1.0\n4.721519 0.000000 0.000000\n0.000000 5.060191 0.000000\n0.000000 -2.530096 4.679282\nCo N O\n4 4 2\ndirect\n0.345087 0.021210 0.288820 Co\n0.021210 0.345087 0.288820 Co\n0.978790 0.654913 0.788822 Co\n0.654913 0.978790 0.788822 Co\n0.668193 0.050363 0.157417 N\n0.050363 0.668193 0.157417 N\n0.949637 0.331807 0.657420 N\n0.331807 0.949637 0.657420 N\n0.326519 0.326519 0.201119 O\n0.673482 0.673482 0.701119 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"N",
"O"
],
"chemical_system": "Co-N-O",
"density": 4.808861234865718,
"density_atomic": 0.08944830790689222,
"volume": 111.7964133028555,
"volume_molar": 6.732537373729323,
"formula_full": "Co4 N4 O2",
"formula_reduced": "Co2N2O",
"formula_anonymous": "AB2C2",
"formation_energy": 0.294675977912566,
"spacegroup": 1
},
{
"id": "oqmd-825176",
"created_at": "2022-09-04T15:36:52.464948Z",
"updated_at": "2022-09-04T15:36:52.464975Z",
"structure_string": "K4 C2 S1\n1.0\n4.799070 0.000000 0.000000\n1.863313 4.762740 0.000000\n0.278994 0.770768 8.903114\nC K S\n2 4 1\ndirect\n0.993003 0.524389 0.049729 C\n0.942129 0.688742 0.153576 C\n0.596288 0.278324 0.243846 K\n0.099717 0.758011 0.475747 K\n0.796268 0.422092 0.737680 K\n0.341129 0.934642 0.966438 K\n0.448465 0.093023 0.602753 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"C",
"K",
"S"
],
"chemical_system": "C-K-S",
"density": 1.7338456960519042,
"density_atomic": 0.03439870928290134,
"volume": 203.49600743535774,
"volume_molar": 17.506880012481872,
"formula_full": "K4 C2 S1",
"formula_reduced": "K4C2S",
"formula_anonymous": "AB2C4",
"formation_energy": -0.309940381287622,
"spacegroup": 1
},
{
"id": "oqmd-827762",
"created_at": "2022-09-04T15:36:52.657720Z",
"updated_at": "2022-09-04T15:36:52.657743Z",
"structure_string": "Y2 Mg2 Zn2\n1.0\n3.502577 0.000000 0.000000\n1.727386 3.074337 0.000000\n0.004268 0.007563 13.575029\nMg Y Zn\n2 2 2\ndirect\n0.666660 0.683987 0.507161 Mg\n0.333351 0.313408 0.683551 Mg\n0.333328 0.333949 0.088217 Y\n0.666671 0.666113 0.881549 Y\n0.000000 0.000000 0.253273 Zn\n0.333303 0.335893 0.367849 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Y",
"Zn"
],
"chemical_system": "Mg-Y-Zn",
"density": 4.058157366491372,
"density_atomic": 0.041046045379089964,
"volume": 146.1772978270051,
"volume_molar": 14.671671057177782,
"formula_full": "Y2 Mg2 Zn2",
"formula_reduced": "YMgZn",
"formula_anonymous": "ABC",
"formation_energy": 0.043596245277777,
"spacegroup": 1
},
{
"id": "oqmd-1083865",
"created_at": "2022-09-04T15:36:53.679467Z",
"updated_at": "2022-09-04T15:36:53.679484Z",
"structure_string": "Sc2 Te2 As2 O2\n1.0\n3.809808 0.000000 0.000000\n-0.001519 3.964566 0.000000\n-0.100181 -0.021858 10.863226\nAs O Sc Te\n2 2 2 2\ndirect\n0.754035 0.486416 0.277439 As\n0.257547 0.987458 0.721989 As\n0.242008 0.290202 0.008885 O\n0.742628 0.790402 0.991391 O\n0.245279 0.781610 0.079977 Sc\n0.737218 0.281938 0.920401 Sc\n0.276919 0.941520 0.348735 Te\n0.744382 0.440447 0.651187 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"As",
"O",
"Sc",
"Te"
],
"chemical_system": "As-O-Sc-Te",
"density": 5.332908123061048,
"density_atomic": 0.04875648973496316,
"volume": 164.08072122270156,
"volume_molar": 12.35146499006785,
"formula_full": "Sc2 Te2 As2 O2",
"formula_reduced": "ScTeAsO",
"formula_anonymous": "ABCD",
"formation_energy": -1.69011937730302,
"spacegroup": 1
}
]
}