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_atomic&page=100",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=98",
"results": [
{
"id": "oqmd-1345494",
"created_at": "2022-09-04T15:45:58.959344Z",
"updated_at": "2022-09-04T15:45:58.959382Z",
"structure_string": "Na2 H6 O4\n1.0\n3.621884 -4.053739 0.000000\n3.621884 4.053739 0.000000\n-1.069611 0.000000 2.914911\nH Na O\n6 2 4\ndirect\n0.263696 0.263696 0.182761 H\n0.753283 0.014459 0.355404 H\n0.014459 0.753283 0.355404 H\n0.985541 0.246717 0.644596 H\n0.246717 0.985541 0.644596 H\n0.736304 0.736304 0.817239 H\n0.653896 0.346104 0.000000 Na\n0.346104 0.653896 0.000000 Na\n0.717690 0.717690 0.114091 O\n0.791573 0.208427 0.500000 O\n0.208427 0.791573 0.500000 O\n0.282310 0.282310 0.885909 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"Na",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.250889788128808,
"density_atomic": 0.14019600273953037,
"volume": 85.59445180683757,
"volume_molar": 4.295515308798436,
"formula_full": "Na2 H6 O4",
"formula_reduced": "NaH3O2",
"formula_anonymous": "AB2C3",
"formation_energy": -1.33650532236028,
"spacegroup": 12
},
{
"id": "oqmd-1521828",
"created_at": "2022-09-04T15:54:11.358719Z",
"updated_at": "2022-09-04T15:54:11.358755Z",
"structure_string": "Li1 H2 F1\n1.0\n1.511370 0.872590 3.605738\n-1.511370 0.872590 3.605738\n0.000000 -1.745180 3.605738\nF H Li\n1 2 1\ndirect\n0.000000 0.000000 0.000000 F\n0.132072 0.132072 0.132072 H\n0.867928 0.867928 0.867928 H\n0.500000 0.500000 0.500000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"F",
"H",
"Li"
],
"chemical_system": "F-H-Li",
"density": 1.6269962330777246,
"density_atomic": 0.14019532930318956,
"volume": 28.531620988239276,
"volume_molar": 4.2955359425536805,
"formula_full": "Li1 H2 F1",
"formula_reduced": "LiH2F",
"formula_anonymous": "ABC2",
"formation_energy": -0.4265213933748644,
"spacegroup": 166
},
{
"id": "oqmd-312794",
"created_at": "2022-09-04T14:50:24.848259Z",
"updated_at": "2022-09-04T14:50:24.848268Z",
"structure_string": "B1 O3\n1.0\n0.000000 2.425371 2.425371\n2.425371 0.000000 2.425371\n2.425371 2.425371 0.000000\nB O\n1 3\ndirect\n0.750001 0.750001 0.750001 B\n0.000000 0.000000 0.000000 O\n0.250001 0.250001 0.250001 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 3.4223926308182238,
"density_atomic": 0.14018303371510907,
"volume": 28.534123524028686,
"volume_molar": 4.2959127081232,
"formula_full": "B1 O3",
"formula_reduced": "BO3",
"formula_anonymous": "AB3",
"formation_energy": 1.47539663809093,
"spacegroup": 225
},
{
"id": "oqmd-1473126",
"created_at": "2022-09-04T15:51:44.241784Z",
"updated_at": "2022-09-04T15:51:44.241811Z",
"structure_string": "Ni1 H2\n1.0\n1.259149 0.726970 3.896765\n-1.259149 0.726970 3.896765\n0.000000 -1.453940 3.896765\nH Ni\n2 1\ndirect\n0.261008 0.261008 0.261008 H\n0.738992 0.738992 0.738992 H\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Ni"
],
"chemical_system": "H-Ni",
"density": 4.710370836672276,
"density_atomic": 0.14017551955833907,
"volume": 21.40173982912503,
"volume_molar": 4.29614299199631,
"formula_full": "Ni1 H2",
"formula_reduced": "NiH2",
"formula_anonymous": "AB2",
"formation_energy": 0.023162061877216,
"spacegroup": 166
},
{
"id": "oqmd-1723692",
"created_at": "2022-09-04T16:01:16.619877Z",
"updated_at": "2022-09-04T16:01:16.619906Z",
"structure_string": "Tm1 Co2 H6\n1.0\n0.000000 3.178267 3.178267\n3.178267 0.000000 3.178267\n3.178267 3.178267 0.000000\nCo H Tm\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.680499 0.680499 0.319501 H\n0.319501 0.680499 0.319501 H\n0.680499 0.319501 0.319501 H\n0.319501 0.319501 0.680499 H\n0.680499 0.319501 0.680499 H\n0.319501 0.680499 0.680499 H\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Tm"
],
"chemical_system": "Co-H-Tm",
"density": 7.573394574358183,
"density_atomic": 0.14016557981092798,
"volume": 64.20977255714472,
"volume_molar": 4.296447650074563,
"formula_full": "Tm1 Co2 H6",
"formula_reduced": "Tm(CoH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.6701023763216614,
"spacegroup": 225
},
{
"id": "oqmd-21405",
"created_at": "2022-09-04T15:17:56.590565Z",
"updated_at": "2022-09-04T15:17:56.590583Z",
"structure_string": "Co2 H16 N4 O4 F8\n1.0\n7.838450 0.000000 -0.001071\n0.000000 5.630390 0.000000\n-0.443485 0.000000 5.497563\nCo F H N O\n2 8 16 4 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.499999 0.500000 Co\n0.258270 0.952875 0.038378 F\n0.019833 0.301370 0.198115 F\n0.980166 0.801371 0.301886 F\n0.741730 0.452876 0.461622 F\n0.258270 0.547126 0.538378 F\n0.019835 0.198629 0.698115 F\n0.980166 0.698630 0.801886 F\n0.741730 0.047125 0.961621 F\n0.284307 0.673799 0.030744 H\n0.172916 0.413167 0.051260 H\n0.631199 0.957328 0.144743 H\n0.669202 0.556477 0.148762 H\n0.330799 0.056477 0.351238 H\n0.368801 0.457329 0.355255 H\n0.827083 0.913166 0.448740 H\n0.715692 0.173798 0.469256 H\n0.284308 0.826202 0.530743 H\n0.172918 0.086836 0.551260 H\n0.631198 0.542671 0.644743 H\n0.669202 0.943523 0.648761 H\n0.330798 0.443522 0.851238 H\n0.368802 0.042670 0.855256 H\n0.827083 0.586835 0.948740 H\n0.715693 0.326203 0.969256 H\n0.292134 0.487332 0.020857 N\n0.707866 0.987333 0.479143 N\n0.292135 0.012669 0.520857 N\n0.707865 0.512668 0.979144 N\n0.416621 0.399798 0.199106 O\n0.583380 0.899797 0.300894 O\n0.416620 0.100203 0.699105 O\n0.583379 0.600204 0.800894 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Co",
"F",
"H",
"N",
"O"
],
"chemical_system": "Co-F-H-N-O",
"density": 2.7787305790642587,
"density_atomic": 0.1401344193899297,
"volume": 242.62419003138422,
"volume_molar": 4.297403012205837,
"formula_full": "Co2 H16 N4 O4 F8",
"formula_reduced": "CoH8N2(OF2)2",
"formula_anonymous": "AB2C2D4E8",
"formation_energy": -1.17424112549283,
"spacegroup": 14
},
{
"id": "oqmd-1589315",
"created_at": "2022-09-04T15:57:17.632932Z",
"updated_at": "2022-09-04T15:57:17.632971Z",
"structure_string": "H4 Ru2\n1.0\n0.000000 2.776781 2.776781\n2.776781 0.000000 2.776781\n2.776781 2.776781 0.000000\nH Ru\n4 2\ndirect\n0.125000 0.125000 0.125000 H\n0.625000 0.125000 0.125000 H\n0.125000 0.625000 0.125000 H\n0.125000 0.125000 0.625000 H\n0.500000 0.500000 0.500000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"Ru"
],
"chemical_system": "H-Ru",
"density": 7.995090664709766,
"density_atomic": 0.14011878655490825,
"volume": 42.82081045319918,
"volume_molar": 4.297882466774081,
"formula_full": "H4 Ru2",
"formula_reduced": "H2Ru",
"formula_anonymous": "AB2",
"formation_energy": 0.7697562002105501,
"spacegroup": 227
},
{
"id": "oqmd-1234837",
"created_at": "2022-09-04T15:39:29.705230Z",
"updated_at": "2022-09-04T15:39:29.705251Z",
"structure_string": "B1 O1\n1.0\n1.351836 0.780483 2.254753\n-1.351836 0.780483 2.254753\n0.000000 -1.560966 2.254753\nB O\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 3.1189952365266485,
"density_atomic": 0.14011747941562963,
"volume": 14.273736641146762,
"volume_molar": 4.297922561207771,
"formula_full": "B1 O1",
"formula_reduced": "BO",
"formula_anonymous": "AB",
"formation_energy": 0.550816817060622,
"spacegroup": 225
},
{
"id": "oqmd-1589579",
"created_at": "2022-09-04T15:57:19.683777Z",
"updated_at": "2022-09-04T15:57:19.683812Z",
"structure_string": "C4 O2\n1.0\n0.000000 2.777021 2.777021\n2.777021 0.000000 2.777021\n2.777021 2.777021 0.000000\nC O\n4 2\ndirect\n0.125000 0.125000 0.125000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.125000 C\n0.125000 0.125000 0.625000 C\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 3.1031114332814886,
"density_atomic": 0.14008246100760927,
"volume": 42.831914551201955,
"volume_molar": 4.298996974127174,
"formula_full": "C4 O2",
"formula_reduced": "C2O",
"formula_anonymous": "AB2",
"formation_energy": 3.433516213040416,
"spacegroup": 227
},
{
"id": "oqmd-20772",
"created_at": "2022-09-04T15:15:47.954043Z",
"updated_at": "2022-09-04T15:15:47.954059Z",
"structure_string": "Al4 H12 O12\n1.0\n4.940208 0.012401 0.006504\n0.175803 8.657042 0.044217\n0.923825 -3.757131 4.656240\nAl H O\n4 12 12\ndirect\n0.534140 0.166608 0.002573 Al\n0.020696 0.337461 0.002804 Al\n0.979305 0.662538 0.997196 Al\n0.465859 0.833392 0.997427 Al\n0.413784 0.504854 0.195528 H\n0.108138 0.127185 0.204279 H\n0.637940 0.888043 0.375701 H\n0.766245 0.383195 0.420963 H\n0.773524 0.686448 0.425512 H\n0.204325 0.875899 0.427579 H\n0.795676 0.124101 0.572423 H\n0.226476 0.313552 0.574490 H\n0.233754 0.616805 0.579037 H\n0.362061 0.111957 0.624299 H\n0.891861 0.872815 0.795721 H\n0.586214 0.495146 0.804474 H\n0.303310 0.104022 0.212514 O\n0.817977 0.265531 0.212998 O\n0.809747 0.587299 0.214588 O\n0.246160 0.778898 0.217622 O\n0.304574 0.423017 0.225683 O\n0.727767 0.909226 0.242477 O\n0.272234 0.090776 0.757524 O\n0.695424 0.576984 0.774319 O\n0.753839 0.221102 0.782378 O\n0.190254 0.412702 0.785411 O\n0.182021 0.734470 0.787004 O\n0.696690 0.895978 0.787485 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.591972922545559,
"density_atomic": 0.14007640484431058,
"volume": 199.89090975829154,
"volume_molar": 4.299182840031747,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"formation_energy": -1.9043990855984,
"spacegroup": 2
},
{
"id": "oqmd-1589518",
"created_at": "2022-09-04T15:57:20.408591Z",
"updated_at": "2022-09-04T15:57:20.408611Z",
"structure_string": "Cr2 B4\n1.0\n0.000000 2.777094 2.777094\n2.777094 0.000000 2.777094\n2.777094 2.777094 0.000000\nB Cr\n4 2\ndirect\n0.625000 0.625000 0.125000 B\n0.625000 0.125000 0.625000 B\n0.125000 0.625000 0.625000 B\n0.625000 0.625000 0.625000 B\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Cr"
],
"chemical_system": "B-Cr",
"density": 5.70771082108286,
"density_atomic": 0.14007141447747745,
"volume": 42.83529242838309,
"volume_molar": 4.299336008324754,
"formula_full": "Cr2 B4",
"formula_reduced": "CrB2",
"formula_anonymous": "AB2",
"formation_energy": 0.0262294316666663,
"spacegroup": 227
},
{
"id": "oqmd-1440596",
"created_at": "2022-09-04T15:50:44.470302Z",
"updated_at": "2022-09-04T15:50:44.470318Z",
"structure_string": "Zn2 P2 O12\n1.0\n2.482873 1.433487 5.349128\n-2.482873 1.433487 5.349128\n0.000000 -2.866975 5.349128\nO P Zn\n12 2 2\ndirect\n0.723202 0.418592 0.107419 O\n0.418592 0.723202 0.107419 O\n0.892581 0.581408 0.276798 O\n0.581408 0.892581 0.276798 O\n0.107419 0.723202 0.418592 O\n0.723202 0.107419 0.418592 O\n0.276798 0.892581 0.581408 O\n0.892581 0.276798 0.581408 O\n0.107419 0.418592 0.723202 O\n0.418592 0.107419 0.723202 O\n0.581408 0.276798 0.892581 O\n0.276798 0.581408 0.892581 O\n0.435468 0.435468 0.435468 P\n0.564532 0.564532 0.564532 P\n0.164531 0.164531 0.164531 Zn\n0.835469 0.835469 0.835469 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"O",
"P",
"Zn"
],
"chemical_system": "O-P-Zn",
"density": 5.593124872448865,
"density_atomic": 0.14006749975045255,
"volume": 114.23063900266632,
"volume_molar": 4.299456169867517,
"formula_full": "Zn2 P2 O12",
"formula_reduced": "ZnPO6",
"formula_anonymous": "ABC6",
"formation_energy": -1.9078103733192409,
"spacegroup": 166
}
]
}