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=28",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=26",
"results": [
{
"id": "oqmd-599491",
"created_at": "2022-09-04T15:15:49.811435Z",
"updated_at": "2022-09-04T15:15:49.811462Z",
"structure_string": "C12\n1.0\n2.513708 0.000000 0.000000\n-1.256854 2.176932 0.000000\n0.000000 0.000000 12.396708\nC\n12\ndirect\n0.666666 0.333336 0.020772 C\n0.666678 0.333359 0.145096 C\n0.000000 0.000000 0.186905 C\n0.000000 0.000000 0.313094 C\n0.666678 0.333359 0.354904 C\n0.666666 0.333336 0.479228 C\n0.333331 0.666663 0.520772 C\n0.333320 0.666640 0.645096 C\n0.000000 0.000000 0.686905 C\n0.000000 0.000000 0.813095 C\n0.333320 0.666640 0.854904 C\n0.333331 0.666663 0.979228 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5280326902309564,
"density_atomic": 0.17689484770908082,
"volume": 67.83691077161873,
"volume_molar": 3.404361878252069,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.13403177333333,
"spacegroup": 194
},
{
"id": "oqmd-1215492",
"created_at": "2022-09-04T15:39:05.284704Z",
"updated_at": "2022-09-04T15:39:05.284721Z",
"structure_string": "C2\n1.0\n0.000000 1.781443 -1.781443\n1.781443 0.000000 1.781443\n0.000000 -1.781443 -1.781443\nC\n2\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.499999 0.749999 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.527781057180393,
"density_atomic": 0.17688223087866387,
"volume": 11.306958251628693,
"volume_molar": 3.4046047079375743,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.1280599875,
"spacegroup": 227
},
{
"id": "oqmd-599493",
"created_at": "2022-09-04T15:15:49.822027Z",
"updated_at": "2022-09-04T15:15:49.822055Z",
"structure_string": "C10\n1.0\n1.256468 -2.176267 0.000000\n-2.512936 0.000000 0.000000\n1.256468 -0.725423 -10.337881\nC\n10\ndirect\n0.975244 0.024758 0.074273 C\n0.625234 0.374763 0.124291 C\n0.574784 0.425213 0.275643 C\n0.891441 0.108560 0.325682 C\n0.841673 0.158329 0.474986 C\n0.158328 0.841671 0.525014 C\n0.108559 0.891440 0.674318 C\n0.425212 0.574785 0.724357 C\n0.374761 0.625235 0.875708 C\n0.024756 0.975243 0.925727 C\n",
"nsites": 10,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.527705186022003,
"density_atomic": 0.17687842671408055,
"volume": 56.536007164767156,
"volume_molar": 3.404677931545963,
"formula_full": "C10",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.135417882500001,
"spacegroup": 166
},
{
"id": "oqmd-686735",
"created_at": "2022-09-04T15:39:30.800898Z",
"updated_at": "2022-09-04T15:39:30.800929Z",
"structure_string": "C2\n1.0\n1.781573 -1.781573 0.000000\n-1.781573 0.000000 -1.781573\n1.781573 1.781573 0.000000\nC\n2\ndirect\n0.000000 0.000000 0.000000 C\n0.750003 0.500002 0.250001 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5270088551874594,
"density_atomic": 0.17684351282644206,
"volume": 11.30943379281796,
"volume_molar": 3.4053501108125217,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.128027337500001,
"spacegroup": 227
},
{
"id": "oqmd-599490",
"created_at": "2022-09-04T15:15:50.257900Z",
"updated_at": "2022-09-04T15:15:50.257926Z",
"structure_string": "C8\n1.0\n2.512318 0.000000 0.000000\n-1.256159 2.175756 0.000000\n0.000000 0.000000 8.277930\nC\n8\ndirect\n0.000000 0.000000 0.092908 C\n0.333321 0.666642 0.155452 C\n0.333321 0.666642 0.344549 C\n0.000000 0.000000 0.407092 C\n0.000000 0.000000 0.592908 C\n0.666680 0.333360 0.655451 C\n0.666680 0.333360 0.844548 C\n0.000000 0.000000 0.907092 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5261505809824443,
"density_atomic": 0.17680047913086178,
"volume": 45.24874615344605,
"volume_molar": 3.4061789818695085,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.13725324875,
"spacegroup": 194
},
{
"id": "oqmd-1715402",
"created_at": "2022-09-04T16:00:37.892646Z",
"updated_at": "2022-09-04T16:00:37.892666Z",
"structure_string": "Zn1 Fe2 H6\n1.0\n0.000000 2.941679 2.941679\n2.941679 0.000000 2.941679\n2.941679 2.941679 0.000000\nFe H Zn\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.710011 0.289989 0.289989 H\n0.289989 0.710011 0.289989 H\n0.710011 0.710011 0.289989 H\n0.289989 0.289989 0.710011 H\n0.710011 0.289989 0.710011 H\n0.289989 0.710011 0.710011 H\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"H",
"Zn"
],
"chemical_system": "Fe-H-Zn",
"density": 5.973546060879637,
"density_atomic": 0.17677737197173343,
"volume": 50.91149336374959,
"volume_molar": 3.406624214870066,
"formula_full": "Zn1 Fe2 H6",
"formula_reduced": "Zn(FeH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.5739982618772161,
"spacegroup": 225
},
{
"id": "oqmd-14925",
"created_at": "2022-09-04T15:04:06.691204Z",
"updated_at": "2022-09-04T15:04:06.691223Z",
"structure_string": "C6 N8\n1.0\n2.706017 2.706017 -2.706017\n2.706017 -2.706017 2.706017\n-2.706017 -2.706017 -2.706017\nC N\n6 8\ndirect\n0.250000 0.374999 0.124999 C\n0.875000 0.625000 0.250000 C\n0.750001 0.125001 0.375001 C\n0.374999 0.250000 0.625000 C\n0.625000 0.875000 0.750001 C\n0.124999 0.750001 0.875000 C\n0.499999 0.432808 0.000000 N\n0.499999 0.932808 0.000000 N\n0.067191 0.567192 0.067191 N\n0.000000 0.000000 0.432810 N\n0.932806 0.499999 0.499999 N\n0.432810 0.500001 0.500001 N\n0.567192 0.067191 0.567192 N\n0.000000 0.000000 0.932806 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.8573879649682694,
"density_atomic": 0.17663488602728902,
"volume": 79.25954105032844,
"volume_molar": 3.4093722341291155,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"formation_energy": 0.588960156589425,
"spacegroup": 220
},
{
"id": "oqmd-1442338",
"created_at": "2022-09-04T15:50:50.804767Z",
"updated_at": "2022-09-04T15:50:50.804796Z",
"structure_string": "H8 N2 F2\n1.0\n4.609497 0.000000 0.000000\n0.000000 4.609497 0.000000\n0.000000 0.000000 3.199157\nF H N\n2 8 2\ndirect\n0.000000 0.500000 0.450297 F\n0.500000 0.000000 0.549704 F\n0.000000 0.185905 0.186433 H\n0.314095 0.500000 0.186433 H\n0.685906 0.500000 0.186433 H\n0.000000 0.814095 0.186433 H\n0.185905 0.000000 0.813567 H\n0.814095 0.000000 0.813567 H\n0.500000 0.314095 0.813567 H\n0.500000 0.685906 0.813567 H\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"H",
"N"
],
"chemical_system": "F-H-N",
"density": 1.8095503156927473,
"density_atomic": 0.17653816941770692,
"volume": 67.9739686866629,
"volume_molar": 3.4112400620576357,
"formula_full": "H8 N2 F2",
"formula_reduced": "H4NF",
"formula_anonymous": "ABC4",
"formation_energy": -0.9801864972018852,
"spacegroup": 129
},
{
"id": "oqmd-1384160",
"created_at": "2022-09-04T15:48:58.179077Z",
"updated_at": "2022-09-04T15:48:58.179104Z",
"structure_string": "H8 N2 F2\n1.0\n4.606415 0.000000 0.000000\n0.000000 4.606415 0.000000\n0.000000 0.000000 3.204290\nF H N\n2 8 2\ndirect\n0.000000 0.000000 0.446982 F\n0.500001 0.500001 0.552887 F\n0.313914 0.000000 0.185901 H\n0.686087 0.000000 0.185901 H\n0.000000 0.313914 0.185901 H\n0.000000 0.686087 0.185901 H\n0.500001 0.186160 0.814049 H\n0.186160 0.500001 0.814049 H\n0.813841 0.500001 0.814049 H\n0.500001 0.813841 0.814049 H\n0.500001 0.000000 0.000162 N\n0.000000 0.500001 0.000162 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"F",
"H",
"N"
],
"chemical_system": "F-H-N",
"density": 1.809069920453293,
"density_atomic": 0.1764913024721267,
"volume": 67.99201905088304,
"volume_molar": 3.4121459106751604,
"formula_full": "H8 N2 F2",
"formula_reduced": "H4NF",
"formula_anonymous": "ABC4",
"formation_energy": -0.980292313035219,
"spacegroup": 129
},
{
"id": "oqmd-1715377",
"created_at": "2022-09-04T16:00:38.194733Z",
"updated_at": "2022-09-04T16:00:38.194760Z",
"structure_string": "Fe2 Co1 H6\n1.0\n0.000000 2.943337 2.943337\n2.943337 0.000000 2.943337\n2.943337 2.943337 0.000000\nCo Fe H\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.734834 0.265166 0.265166 H\n0.265166 0.734834 0.265166 H\n0.734834 0.734834 0.265166 H\n0.265166 0.265166 0.734834 H\n0.734834 0.265166 0.734834 H\n0.265166 0.734834 0.734834 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Fe",
"H"
],
"chemical_system": "Co-Fe-H",
"density": 5.752597574269803,
"density_atomic": 0.1764788008494625,
"volume": 50.99762666495595,
"volume_molar": 3.4123876244699347,
"formula_full": "Fe2 Co1 H6",
"formula_reduced": "Fe2CoH6",
"formula_anonymous": "AB2C6",
"formation_energy": 0.1988392796549942,
"spacegroup": 225
},
{
"id": "oqmd-1718939",
"created_at": "2022-09-04T16:01:01.155879Z",
"updated_at": "2022-09-04T16:01:01.155904Z",
"structure_string": "Zn1 Co2 H6\n1.0\n0.000000 2.943436 2.943436\n2.943436 0.000000 2.943436\n2.943436 2.943436 0.000000\nCo H Zn\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.710754 0.710754 0.289246 H\n0.289246 0.710754 0.289246 H\n0.710754 0.289246 0.289246 H\n0.710754 0.289246 0.710754 H\n0.289246 0.289246 0.710754 H\n0.289246 0.710754 0.710754 H\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Zn"
],
"chemical_system": "Co-H-Zn",
"density": 6.163945022470987,
"density_atomic": 0.17646099429923878,
"volume": 51.002772798264935,
"volume_molar": 3.412731966016117,
"formula_full": "Zn1 Co2 H6",
"formula_reduced": "Zn(CoH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.5514823440994385,
"spacegroup": 225
},
{
"id": "oqmd-589216",
"created_at": "2022-09-04T15:15:50.039745Z",
"updated_at": "2022-09-04T15:15:50.039774Z",
"structure_string": "C4\n1.0\n2.505919 0.000000 0.000000\n-1.252960 2.170143 0.000000\n0.000000 0.000000 4.168506\nC\n4\ndirect\n0.333342 0.666684 0.062768 C\n0.333342 0.666684 0.437231 C\n0.666657 0.333314 0.562770 C\n0.666657 0.333314 0.937230 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5191809331432706,
"density_atomic": 0.17645102239353888,
"volume": 22.669180069009723,
"volume_molar": 3.412924832234077,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.152669772499999,
"spacegroup": 194
}
]
}