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=-density&page=99",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density&page=97",
"results": [
{
"id": "oqmd-1144275",
"created_at": "2022-09-04T15:47:34.237247Z",
"updated_at": "2022-09-04T15:47:34.237274Z",
"structure_string": "Hf1 Ir2 Os1\n1.0\n0.000000 3.178207 3.178207\n3.178207 0.000000 3.178207\n3.178207 3.178207 0.000000\nHf Ir Os\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ir\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ir",
"Os"
],
"chemical_system": "Hf-Ir-Os",
"density": 19.47853765349315,
"density_atomic": 0.06229934148332643,
"volume": 64.20613612859047,
"volume_molar": 9.666459735552332,
"formula_full": "Hf1 Ir2 Os1",
"formula_reduced": "HfIr2Os",
"formula_anonymous": "ABC2",
"formation_energy": -0.016119173749999,
"spacegroup": 216
},
{
"id": "oqmd-1340529",
"created_at": "2022-09-04T15:46:27.032680Z",
"updated_at": "2022-09-04T15:46:27.032709Z",
"structure_string": "Re8 W4\n1.0\n5.117254 0.000000 0.000000\n-2.558627 4.431672 0.000000\n0.000000 0.000000 8.364746\nRe W\n8 4\ndirect\n0.000000 0.000000 0.000000 Re\n0.172153 0.344307 0.250000 Re\n0.172153 0.827847 0.250000 Re\n0.655693 0.827847 0.250000 Re\n0.000000 0.000000 0.500000 Re\n0.344307 0.172153 0.750000 Re\n0.827847 0.172153 0.750000 Re\n0.827847 0.655693 0.750000 Re\n0.666667 0.333333 0.067576 W\n0.666667 0.333333 0.432424 W\n0.333333 0.666667 0.567576 W\n0.333333 0.666667 0.932424 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.477126912649812,
"density_atomic": 0.0632592304462866,
"volume": 189.6956367527929,
"volume_molar": 9.519781884026234,
"formula_full": "Re8 W4",
"formula_reduced": "Re2W",
"formula_anonymous": "AB2",
"formation_energy": 0.178004478333333,
"spacegroup": 194
},
{
"id": "oqmd-1577064",
"created_at": "2022-09-04T15:56:31.156872Z",
"updated_at": "2022-09-04T15:56:31.156899Z",
"structure_string": "Re16 W13\n1.0\n-4.855089 4.855089 4.855089\n4.855089 -4.855089 4.855089\n4.855089 4.855089 -4.855089\nRe W\n16 13\ndirect\n0.631811 0.000000 0.000000 Re\n0.689532 0.412567 0.000000 Re\n0.000000 0.631811 0.000000 Re\n0.412567 0.689532 0.000000 Re\n0.587433 0.587433 0.276965 Re\n0.723035 0.310468 0.310468 Re\n0.310468 0.723035 0.310468 Re\n0.368189 0.368189 0.368189 Re\n0.689532 0.000000 0.412567 Re\n0.000000 0.689532 0.412567 Re\n0.587433 0.276965 0.587433 Re\n0.276965 0.587433 0.587433 Re\n0.000000 0.000000 0.631811 Re\n0.412567 0.000000 0.689532 Re\n0.000000 0.412567 0.689532 Re\n0.310468 0.310468 0.723035 Re\n0.000000 0.000000 0.000000 W\n0.378785 0.192593 0.000000 W\n0.192593 0.378785 0.000000 W\n0.807407 0.807407 0.186192 W\n0.378785 0.000000 0.192593 W\n0.000000 0.378785 0.192593 W\n0.192593 0.000000 0.378785 W\n0.000000 0.192593 0.378785 W\n0.813808 0.621215 0.621215 W\n0.621215 0.813808 0.621215 W\n0.807407 0.186192 0.807407 W\n0.186192 0.807407 0.807407 W\n0.621215 0.621215 0.813808 W\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 19.476445032975636,
"density_atomic": 0.06334997095435502,
"volume": 457.77447981618036,
"volume_molar": 9.506146047547645,
"formula_full": "Re16 W13",
"formula_reduced": "Re16W13",
"formula_anonymous": "A13B16",
"formation_energy": 0.2145856872413791,
"spacegroup": 217
},
{
"id": "oqmd-1243421",
"created_at": "2022-09-04T15:47:21.205752Z",
"updated_at": "2022-09-04T15:47:21.205790Z",
"structure_string": "Pu2 Pa2\n1.0\n3.848495 0.000000 0.000000\n-1.924247 3.332894 0.000000\n0.000000 0.000000 6.315555\nPa Pu\n2 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.000000 0.000000 0.500000 Pa\n0.666667 0.333332 0.250000 Pu\n0.333333 0.666667 0.750001 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Pu"
],
"chemical_system": "Pa-Pu",
"density": 19.47518343676616,
"density_atomic": 0.049378289498282366,
"volume": 81.00726130132841,
"volume_molar": 12.195928253467512,
"formula_full": "Pu2 Pa2",
"formula_reduced": "PuPa",
"formula_anonymous": "AB",
"formation_energy": 0.705468387500002,
"spacegroup": 194
},
{
"id": "oqmd-302198",
"created_at": "2022-09-04T14:49:49.342278Z",
"updated_at": "2022-09-04T14:49:49.342307Z",
"structure_string": "Tc1 Ir3\n1.0\n-1.925602 1.925602 3.878519\n1.925602 -1.925602 3.878519\n1.925602 1.925602 -3.878519\nIr Tc\n3 1\ndirect\n0.499999 0.499999 0.000000 Ir\n0.750002 0.250000 0.500002 Ir\n0.250000 0.750002 0.500002 Ir\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Tc"
],
"chemical_system": "Ir-Tc",
"density": 19.474633558576418,
"density_atomic": 0.06953460949717469,
"volume": 57.525310473808396,
"volume_molar": 8.660637923399412,
"formula_full": "Tc1 Ir3",
"formula_reduced": "TcIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.12136239875,
"spacegroup": 139
},
{
"id": "oqmd-319316",
"created_at": "2022-09-04T14:50:38.912979Z",
"updated_at": "2022-09-04T14:50:38.912994Z",
"structure_string": "Tc2 Ir6\n1.0\n5.504252 0.000000 0.000000\n-2.752126 4.766821 0.000000\n0.000000 0.000000 4.385031\nIr Tc\n6 2\ndirect\n0.166884 0.333768 0.250001 Ir\n0.166883 0.833115 0.250001 Ir\n0.666232 0.833115 0.250001 Ir\n0.333767 0.166885 0.749999 Ir\n0.833116 0.166885 0.749999 Ir\n0.833116 0.666230 0.749999 Ir\n0.666666 0.333331 0.250001 Tc\n0.333333 0.666667 0.749999 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"Tc"
],
"chemical_system": "Ir-Tc",
"density": 19.474146857490467,
"density_atomic": 0.06953287172019153,
"volume": 115.05349631168612,
"volume_molar": 8.660854371488933,
"formula_full": "Tc2 Ir6",
"formula_reduced": "TcIr3",
"formula_anonymous": "AB3",
"formation_energy": -0.156703330000001,
"spacegroup": 194
},
{
"id": "oqmd-309070",
"created_at": "2022-09-04T14:50:01.120971Z",
"updated_at": "2022-09-04T14:50:01.120994Z",
"structure_string": "Hf1 Pt3\n1.0\n0.000000 3.193341 3.193341\n3.193341 0.000000 3.193341\n3.193341 3.193341 0.000000\nHf Pt\n1 3\ndirect\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pt"
],
"chemical_system": "Hf-Pt",
"density": 19.472866428279108,
"density_atomic": 0.061417778607069234,
"volume": 65.12772182124472,
"volume_molar": 9.80520770464148,
"formula_full": "Hf1 Pt3",
"formula_reduced": "HfPt3",
"formula_anonymous": "AB3",
"formation_energy": -0.75447386125,
"spacegroup": 225
},
{
"id": "oqmd-1486046",
"created_at": "2022-09-04T15:52:58.005358Z",
"updated_at": "2022-09-04T15:52:58.005383Z",
"structure_string": "Cr1 Re12\n1.0\n2.521334 1.455693 8.854293\n-2.521334 1.455693 8.854293\n0.000000 -2.911385 8.854293\nCr Re\n1 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.587764 0.091360 0.091360 Re\n0.091360 0.587764 0.091360 Re\n0.166793 0.166793 0.166793 Re\n0.347549 0.347549 0.347549 Re\n0.908640 0.908640 0.412236 Re\n0.453495 0.453495 0.453495 Re\n0.546505 0.546505 0.546505 Re\n0.091360 0.091360 0.587764 Re\n0.652451 0.652451 0.652451 Re\n0.833207 0.833207 0.833207 Re\n0.908640 0.412236 0.908640 Re\n0.412236 0.908640 0.908640 Re\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cr",
"Re"
],
"chemical_system": "Cr-Re",
"density": 19.47203355613367,
"density_atomic": 0.06667117946869744,
"volume": 194.98680094753067,
"volume_molar": 9.032599704985623,
"formula_full": "Cr1 Re12",
"formula_reduced": "CrRe12",
"formula_anonymous": "AB12",
"formation_energy": 0.1775345469230755,
"spacegroup": 166
},
{
"id": "oqmd-538762",
"created_at": "2022-09-04T15:12:35.892070Z",
"updated_at": "2022-09-04T15:12:35.892089Z",
"structure_string": "Np1 Ir1 W2\n1.0\n0.000000 3.238962 3.238962\n3.238962 0.000000 3.238962\n3.238962 3.238962 0.000000\nIr Np W\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Np\n0.000000 0.000000 0.000000 W\n0.500001 0.500001 0.500001 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Np",
"W"
],
"chemical_system": "Ir-Np-W",
"density": 19.47169396601669,
"density_atomic": 0.05885894008360838,
"volume": 67.95908989047459,
"volume_molar": 10.231480131048274,
"formula_full": "Np1 Ir1 W2",
"formula_reduced": "NpIrW2",
"formula_anonymous": "ABC2",
"formation_energy": 0.6459276528125,
"spacegroup": 225
},
{
"id": "oqmd-309489",
"created_at": "2022-09-04T14:49:57.347565Z",
"updated_at": "2022-09-04T14:49:57.347591Z",
"structure_string": "Pu1 Pt3\n1.0\n0.000000 3.282306 3.282306\n3.282306 0.000000 3.282306\n3.282306 3.282306 0.000000\nPt Pu\n3 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n0.500001 0.500001 0.500001 Pt\n0.750000 0.750000 0.750000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pt",
"Pu"
],
"chemical_system": "Pt-Pu",
"density": 19.47011109234798,
"density_atomic": 0.0565578374976372,
"volume": 70.72406189800144,
"volume_molar": 10.647756396717936,
"formula_full": "Pu1 Pt3",
"formula_reduced": "PuPt3",
"formula_anonymous": "AB3",
"formation_energy": -0.105867289999999,
"spacegroup": 225
},
{
"id": "oqmd-325464",
"created_at": "2022-09-04T14:51:02.652757Z",
"updated_at": "2022-09-04T14:51:02.652777Z",
"structure_string": "Np6 B2\n1.0\n5.855298 0.000000 0.000000\n-2.927650 5.070837 0.000000\n0.000000 0.000000 4.146779\nB Np\n2 6\ndirect\n0.666666 0.333332 0.249999 B\n0.333333 0.666665 0.749999 B\n0.179889 0.359777 0.249999 Np\n0.179888 0.820111 0.249999 Np\n0.640223 0.820111 0.249999 Np\n0.359776 0.179887 0.749999 Np\n0.820112 0.179887 0.749999 Np\n0.820111 0.640226 0.749999 Np\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Np"
],
"chemical_system": "B-Np",
"density": 19.469869708127355,
"density_atomic": 0.06497562159718943,
"volume": 123.12310068528912,
"volume_molar": 9.268308039180793,
"formula_full": "Np6 B2",
"formula_reduced": "Np3B",
"formula_anonymous": "AB3",
"formation_energy": 0.2791808196875,
"spacegroup": 194
},
{
"id": "oqmd-301456",
"created_at": "2022-09-04T15:18:09.250064Z",
"updated_at": "2022-09-04T15:18:09.250098Z",
"structure_string": "Co1 Os3\n1.0\n-1.881484 1.881484 3.792564\n1.881484 -1.881484 3.792564\n1.881484 1.881484 -3.792564\nCo Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.000000 Os\n0.749999 0.250000 0.499999 Os\n0.250000 0.749999 0.499999 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Os"
],
"chemical_system": "Co-Os",
"density": 19.46865045463193,
"density_atomic": 0.07448451989482258,
"volume": 53.702433816426336,
"volume_molar": 8.085090389927585,
"formula_full": "Co1 Os3",
"formula_reduced": "CoOs3",
"formula_anonymous": "AB3",
"formation_energy": 0.167266170000001,
"spacegroup": 139
}
]
}