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=62",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=60",
"results": [
{
"id": "oqmd-27042",
"created_at": "2022-09-04T15:17:45.396281Z",
"updated_at": "2022-09-04T15:17:45.396315Z",
"structure_string": "H20 N4 O8\n1.0\n6.103947 0.000000 -0.003999\n0.000000 6.475471 0.000000\n-2.607290 0.000000 5.339625\nH N O\n20 4 8\ndirect\n0.786532 0.468811 0.125869 H\n0.288513 0.974729 0.133405 H\n0.591108 0.283138 0.141745 H\n0.099963 0.781576 0.144920 H\n0.244881 0.324884 0.246909 H\n0.755119 0.824884 0.253093 H\n0.900037 0.281576 0.355081 H\n0.408892 0.783137 0.358255 H\n0.711487 0.474730 0.366594 H\n0.213468 0.968811 0.374130 H\n0.786532 0.031188 0.625871 H\n0.288512 0.525270 0.633407 H\n0.591107 0.216863 0.641744 H\n0.099962 0.718423 0.644920 H\n0.244882 0.175116 0.746908 H\n0.755120 0.675115 0.753092 H\n0.900036 0.218424 0.855081 H\n0.408892 0.716862 0.858254 H\n0.711486 0.025271 0.866594 H\n0.213467 0.531189 0.874129 H\n0.747138 0.373318 0.247230 N\n0.252860 0.873319 0.252771 N\n0.747139 0.126681 0.747230 N\n0.252861 0.626682 0.752770 N\n0.677934 0.826244 0.023858 O\n0.171331 0.328602 0.026838 O\n0.828669 0.828601 0.473163 O\n0.322065 0.326243 0.476142 O\n0.677934 0.673755 0.523859 O\n0.171332 0.171399 0.526838 O\n0.828670 0.671398 0.973163 O\n0.322064 0.173756 0.976141 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.6069785456652044,
"density_atomic": 0.15166873286640498,
"volume": 210.98613666263498,
"volume_molar": 3.970588166846827,
"formula_full": "H20 N4 O8",
"formula_reduced": "H5NO2",
"formula_anonymous": "AB2C5",
"formation_energy": -0.613697810377737,
"spacegroup": 15
},
{
"id": "oqmd-103370",
"created_at": "2022-09-04T15:16:21.290039Z",
"updated_at": "2022-09-04T15:16:21.290069Z",
"structure_string": "La1 Fe5 H12\n1.0\n5.710775 -0.000335 0.000000\n-2.855677 4.945508 0.000000\n0.000000 0.000000 4.202643\nFe H La\n5 12 1\ndirect\n0.666675 0.333350 0.000000 Fe\n0.333348 0.666674 0.000000 Fe\n0.500003 0.000000 0.500000 Fe\n0.500001 0.500001 0.500000 Fe\n0.000000 0.500003 0.500000 Fe\n0.422477 0.211198 0.265673 H\n0.211198 0.422478 0.265673 H\n0.788811 0.577535 0.265680 H\n0.577535 0.788811 0.265680 H\n0.788774 0.211233 0.265704 H\n0.211231 0.788774 0.265704 H\n0.788774 0.211233 0.734298 H\n0.211231 0.788774 0.734298 H\n0.788811 0.577535 0.734319 H\n0.577535 0.788811 0.734319 H\n0.422477 0.211198 0.734326 H\n0.211198 0.422478 0.734326 H\n0.000000 0.000000 0.000000 La\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"H",
"La"
],
"chemical_system": "Fe-H-La",
"density": 6.019102660243332,
"density_atomic": 0.1516557069550675,
"volume": 118.68989543092522,
"volume_molar": 3.970929205970626,
"formula_full": "La1 Fe5 H12",
"formula_reduced": "LaFe5H12",
"formula_anonymous": "AB5C12",
"formation_energy": -0.0667774281227835,
"spacegroup": 191
},
{
"id": "oqmd-1228241",
"created_at": "2022-09-04T15:39:16.269302Z",
"updated_at": "2022-09-04T15:39:16.269327Z",
"structure_string": "B1 N1\n1.0\n1.932893 0.000000 0.000000\n-0.966447 1.673163 0.000000\n0.000000 0.000000 4.078468\nB N\n1 1\ndirect\n0.666615 0.333237 0.750000 B\n0.333381 0.666761 0.250001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.1244062895435847,
"density_atomic": 0.1516306061686865,
"volume": 13.189949249263263,
"volume_molar": 3.9715865498159855,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"formation_energy": 2.52953034732825,
"spacegroup": 187
},
{
"id": "oqmd-1472494",
"created_at": "2022-09-04T15:52:05.491182Z",
"updated_at": "2022-09-04T15:52:05.491200Z",
"structure_string": "H6 Rh2\n1.0\n2.071569 1.196021 3.549573\n-2.071569 1.196021 3.549573\n0.000000 -2.392042 3.549573\nH Rh\n6 2\ndirect\n0.750000 0.453481 0.046520 H\n0.546519 0.953481 0.250000 H\n0.046520 0.750001 0.453481 H\n0.953481 0.249999 0.546519 H\n0.453482 0.046519 0.750000 H\n0.250000 0.546519 0.953480 H\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Rh"
],
"chemical_system": "H-Rh",
"density": 6.66698850527384,
"density_atomic": 0.15160880193674758,
"volume": 52.76738486026467,
"volume_molar": 3.9721577395700844,
"formula_full": "H6 Rh2",
"formula_reduced": "H3Rh",
"formula_anonymous": "AB3",
"formation_energy": 0.1516959708618683,
"spacegroup": 167
},
{
"id": "oqmd-345364",
"created_at": "2022-09-04T14:51:06.845798Z",
"updated_at": "2022-09-04T14:51:06.845819Z",
"structure_string": "Nb1 H3\n1.0\n2.977478 0.000000 0.000000\n0.000000 2.977478 0.000000\n0.000000 0.000000 2.977478\nH Nb\n3 1\ndirect\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Nb"
],
"chemical_system": "H-Nb",
"density": 6.0347427774049835,
"density_atomic": 0.15153547253517746,
"volume": 26.396459740285824,
"volume_molar": 3.9740799030418574,
"formula_full": "Nb1 H3",
"formula_reduced": "NbH3",
"formula_anonymous": "AB3",
"formation_energy": 0.0632948483618687,
"spacegroup": 221
},
{
"id": "oqmd-1473627",
"created_at": "2022-09-04T15:52:11.577998Z",
"updated_at": "2022-09-04T15:52:11.578032Z",
"structure_string": "Zr2 H8\n1.0\n3.463829 0.000000 0.000000\n-0.000046 3.732092 0.000000\n-0.000007 -1.276407 5.106167\nH Zr\n8 2\ndirect\n0.820336 0.690131 0.056284 H\n0.308967 0.957837 0.152595 H\n0.308968 0.542145 0.347401 H\n0.820334 0.809863 0.443708 H\n0.179666 0.190137 0.556292 H\n0.691032 0.457855 0.652599 H\n0.691033 0.042163 0.847405 H\n0.179664 0.309869 0.943716 H\n0.799172 0.250054 0.250054 Zr\n0.200828 0.749946 0.749946 Zr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"H",
"Zr"
],
"chemical_system": "H-Zr",
"density": 4.792548759033802,
"density_atomic": 0.15149426783240594,
"volume": 66.00909818622796,
"volume_molar": 3.975160807181254,
"formula_full": "Zr2 H8",
"formula_reduced": "ZrH4",
"formula_anonymous": "AB4",
"formation_energy": -0.1498009297473402,
"spacegroup": 13
},
{
"id": "oqmd-347502",
"created_at": "2022-09-04T14:51:10.422890Z",
"updated_at": "2022-09-04T14:51:10.422913Z",
"structure_string": "Ta1 H3\n1.0\n2.978181 0.000000 0.000000\n0.000000 2.978181 0.000000\n0.000000 0.000000 2.978181\nH Ta\n3 1\ndirect\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Ta"
],
"chemical_system": "H-Ta",
"density": 11.565032381269823,
"density_atomic": 0.15142818796159,
"volume": 26.415161231504708,
"volume_molar": 3.9768954783554076,
"formula_full": "Ta1 H3",
"formula_reduced": "TaH3",
"formula_anonymous": "AB3",
"formation_energy": 0.113866653361868,
"spacegroup": 221
},
{
"id": "oqmd-1757949",
"created_at": "2022-09-04T16:03:11.654259Z",
"updated_at": "2022-09-04T16:03:11.654286Z",
"structure_string": "Ni4 H12\n1.0\n0.000000 3.752579 3.752579\n3.752579 0.000000 3.752579\n3.752579 3.752579 0.000000\nH Ni\n12 4\ndirect\n0.740065 0.259935 0.259935 H\n0.259935 0.740065 0.259935 H\n0.740065 0.740065 0.259935 H\n0.990065 0.509935 0.509935 H\n0.509935 0.990065 0.509935 H\n0.990065 0.990065 0.509935 H\n0.259935 0.259935 0.740065 H\n0.740065 0.259935 0.740065 H\n0.259935 0.740065 0.740065 H\n0.509935 0.509935 0.990065 H\n0.990065 0.509935 0.990065 H\n0.509935 0.990065 0.990065 H\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"Ni"
],
"chemical_system": "H-Ni",
"density": 3.8787868711684856,
"density_atomic": 0.15139113864356715,
"volume": 105.68650281222959,
"volume_molar": 3.9778687272961397,
"formula_full": "Ni4 H12",
"formula_reduced": "NiH3",
"formula_anonymous": "AB3",
"formation_energy": 0.1313657027368684,
"spacegroup": 227
},
{
"id": "oqmd-1343994",
"created_at": "2022-09-04T15:45:57.546063Z",
"updated_at": "2022-09-04T15:45:57.546090Z",
"structure_string": "K2 F2\n1.0\n1.376637 -2.034615 0.000000\n1.376637 2.034615 0.000000\n0.000000 0.000000 4.717112\nF K\n2 2\ndirect\n0.744887 0.255113 0.417664 F\n0.255113 0.744887 0.917664 F\n0.507559 0.492441 0.420337 K\n0.492441 0.507559 0.920337 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"K"
],
"chemical_system": "F-K",
"density": 7.301678688903124,
"density_atomic": 0.15137429300484836,
"volume": 26.42456602503758,
"volume_molar": 3.9783114031172495,
"formula_full": "K2 F2",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"formation_energy": -2.75441243956555,
"spacegroup": 63
},
{
"id": "oqmd-2015",
"created_at": "2022-09-04T14:48:48.725198Z",
"updated_at": "2022-09-04T14:48:48.725219Z",
"structure_string": "H2 F2\n1.0\n1.376637 -2.034615 0.000000\n1.376637 2.034615 0.000000\n0.000000 0.000000 4.717112\nF H\n2 2\ndirect\n0.744888 0.255114 0.082336 F\n0.255114 0.744888 0.582339 F\n0.507560 0.492442 0.079663 H\n0.492442 0.507560 0.579662 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 2.514426494795008,
"density_atomic": 0.15137429300484836,
"volume": 26.42456602503758,
"volume_molar": 3.9783114031172495,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"formation_energy": -1.62434418815764,
"spacegroup": 63
},
{
"id": "oqmd-1343421",
"created_at": "2022-09-04T15:45:57.157651Z",
"updated_at": "2022-09-04T15:45:57.157677Z",
"structure_string": "Li2 F2\n1.0\n1.376637 -2.034615 0.000000\n1.376637 2.034615 0.000000\n0.000000 0.000000 4.717112\nF Li\n2 2\ndirect\n0.744887 0.255113 0.417664 F\n0.255113 0.744887 0.917664 F\n0.507559 0.492441 0.420337 Li\n0.492441 0.507559 0.920337 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Li"
],
"chemical_system": "F-Li",
"density": 3.260102159261689,
"density_atomic": 0.15137429300484836,
"volume": 26.42456602503758,
"volume_molar": 3.9783114031172495,
"formula_full": "Li2 F2",
"formula_reduced": "LiF",
"formula_anonymous": "AB",
"formation_energy": -3.06558071206555,
"spacegroup": 63
},
{
"id": "oqmd-1343863",
"created_at": "2022-09-04T15:45:58.283148Z",
"updated_at": "2022-09-04T15:45:58.283174Z",
"structure_string": "Na2 F2\n1.0\n1.376637 -2.034615 0.000000\n1.376637 2.034615 0.000000\n0.000000 0.000000 4.717112\nF Na\n2 2\ndirect\n0.744887 0.255113 0.417664 F\n0.255113 0.744887 0.917664 F\n0.507559 0.492441 0.420337 Na\n0.492441 0.507559 0.920337 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"F",
"Na"
],
"chemical_system": "F-Na",
"density": 5.2771349714591835,
"density_atomic": 0.15137429300484836,
"volume": 26.42456602503758,
"volume_molar": 3.9783114031172495,
"formula_full": "Na2 F2",
"formula_reduced": "NaF",
"formula_anonymous": "AB",
"formation_energy": -2.91073549749138,
"spacegroup": 63
}
]
}