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=20",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=18",
"results": [
{
"id": "oqmd-310529",
"created_at": "2022-09-04T14:50:27.672936Z",
"updated_at": "2022-09-04T14:50:27.672967Z",
"structure_string": "B3 H1\n1.0\n0.000000 2.202523 2.202523\n2.202523 0.000000 2.202523\n2.202523 2.202523 0.000000\nB H\n3 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.499999 0.499999 0.499999 B\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.5985807783654664,
"density_atomic": 0.187183963476567,
"volume": 21.369351977103253,
"volume_molar": 3.2172311389025023,
"formula_full": "B3 H1",
"formula_reduced": "B3H",
"formula_anonymous": "AB3",
"formation_energy": 1.27529167445396,
"spacegroup": 225
},
{
"id": "oqmd-1443644",
"created_at": "2022-09-04T15:50:43.140287Z",
"updated_at": "2022-09-04T15:50:43.140312Z",
"structure_string": "Co2 F12\n1.0\n2.262577 1.306300 4.225132\n-2.262577 1.306300 4.225132\n0.000000 -2.612599 4.225132\nCo F\n2 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.417096 0.749663 0.082802 F\n0.749663 0.417096 0.082802 F\n0.917198 0.582904 0.250337 F\n0.582904 0.917198 0.250337 F\n0.749663 0.082802 0.417096 F\n0.082802 0.749663 0.417096 F\n0.917198 0.250337 0.582904 F\n0.250337 0.917198 0.582904 F\n0.417096 0.082802 0.749663 F\n0.082802 0.417096 0.749663 F\n0.250337 0.582904 0.917198 F\n0.582904 0.250337 0.917198 F\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 7.664709178004641,
"density_atomic": 0.18684880285859382,
"volume": 74.92689161404543,
"volume_molar": 3.2230020572074656,
"formula_full": "Co2 F12",
"formula_reduced": "CoF6",
"formula_anonymous": "AB6",
"formation_energy": -1.96483441559833,
"spacegroup": 166
},
{
"id": "oqmd-646129",
"created_at": "2022-09-04T15:16:12.999264Z",
"updated_at": "2022-09-04T15:16:12.999289Z",
"structure_string": "H8 O4\n1.0\n-4.469774 0.000000 0.000000\n0.000000 -4.469774 0.000000\n-2.234887 -2.234887 3.216633\nH O\n8 4\ndirect\n0.273796 0.202437 0.095124 H\n0.631081 0.202437 0.095124 H\n0.797561 0.368919 0.404877 H\n0.797561 0.726204 0.404877 H\n0.202440 0.273797 0.595122 H\n0.202440 0.631081 0.595122 H\n0.368920 0.797563 0.904875 H\n0.726204 0.797563 0.904875 H\n0.890523 0.640524 0.218953 O\n0.359476 0.109475 0.281049 O\n0.640522 0.890524 0.718954 O\n0.109477 0.359477 0.781047 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.8619905058395487,
"density_atomic": 0.18672763771350312,
"volume": 64.26472346001422,
"volume_molar": 3.225093421488999,
"formula_full": "H8 O4",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"formation_energy": -1.1092047209157,
"spacegroup": 141
},
{
"id": "oqmd-1442337",
"created_at": "2022-09-04T15:50:46.528701Z",
"updated_at": "2022-09-04T15:50:46.528731Z",
"structure_string": "H8 O4\n1.0\n4.357550 0.000000 0.000000\n0.000000 4.357550 0.000000\n0.000000 0.000000 3.386512\nH O\n8 4\ndirect\n0.000000 0.233231 0.178981 H\n0.266769 0.500000 0.178981 H\n0.733231 0.500000 0.178981 H\n0.000000 0.766769 0.178981 H\n0.233231 0.000000 0.821019 H\n0.766769 0.000000 0.821019 H\n0.500000 0.266769 0.821019 H\n0.500000 0.733231 0.821019 H\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.322645 O\n0.500000 0.000000 0.677355 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.8608558337863912,
"density_atomic": 0.18661384839427667,
"volume": 64.30390940037027,
"volume_molar": 3.2270599485609752,
"formula_full": "H8 O4",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"formation_energy": -0.9336536442490349,
"spacegroup": 129
},
{
"id": "oqmd-1442682",
"created_at": "2022-09-04T15:50:38.420249Z",
"updated_at": "2022-09-04T15:50:38.420281Z",
"structure_string": "H4 N1 F1\n1.0\n3.180507 0.000000 0.000000\n0.000000 3.180507 0.000000\n0.000000 0.000000 3.180507\nF H N\n1 4 1\ndirect\n0.000000 0.000000 0.000000 F\n0.689780 0.310221 0.310221 H\n0.310221 0.689780 0.310221 H\n0.310221 0.310221 0.689780 H\n0.689780 0.689780 0.689780 H\n0.499999 0.499999 0.499999 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"F",
"H",
"N"
],
"chemical_system": "F-H-N",
"density": 1.911587700947491,
"density_atomic": 0.18649284879237008,
"volume": 32.17281541277778,
"volume_molar": 3.2291537176874217,
"formula_full": "H4 N1 F1",
"formula_reduced": "H4NF",
"formula_anonymous": "ABC4",
"formation_energy": -0.975408745535219,
"spacegroup": 215
},
{
"id": "oqmd-40867",
"created_at": "2022-09-04T15:15:50.961982Z",
"updated_at": "2022-09-04T15:15:50.961999Z",
"structure_string": "H2\n1.0\n3.579711 0.000000 0.000000\n-1.789855 3.104049 0.000000\n0.000000 0.000000 0.969201\nH\n2\ndirect\n0.333435 0.666871 0.250000 H\n0.666566 0.333129 0.749999 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.31083032709645825,
"density_atomic": 0.18571184623078654,
"volume": 10.769372232262308,
"volume_molar": 3.2427337739759516,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.387579205,
"spacegroup": 194
},
{
"id": "oqmd-1718879",
"created_at": "2022-09-04T16:01:00.119347Z",
"updated_at": "2022-09-04T16:01:00.119381Z",
"structure_string": "Co2 Ni1 H6\n1.0\n0.000000 2.893979 2.893979\n2.893979 0.000000 2.893979\n2.893979 2.893979 0.000000\nCo H Ni\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.729095 0.270905 0.270905 H\n0.729095 0.729095 0.270905 H\n0.270905 0.729095 0.270905 H\n0.270905 0.270905 0.729095 H\n0.729095 0.270905 0.729095 H\n0.270905 0.729095 0.729095 H\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Ni"
],
"chemical_system": "Co-H-Ni",
"density": 6.255347200189012,
"density_atomic": 0.1856634377894998,
"volume": 48.47481069592149,
"volume_molar": 3.243579259168808,
"formula_full": "Co2 Ni1 H6",
"formula_reduced": "Co2NiH6",
"formula_anonymous": "AB2C6",
"formation_energy": 0.2616335596549951,
"spacegroup": 225
},
{
"id": "oqmd-1589574",
"created_at": "2022-09-04T15:57:19.703447Z",
"updated_at": "2022-09-04T15:57:19.703475Z",
"structure_string": "H2 C4\n1.0\n0.000000 2.528184 2.528184\n2.528184 0.000000 2.528184\n2.528184 2.528184 0.000000\nC H\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 H\n0.750000 0.750000 0.750000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"H"
],
"chemical_system": "C-H",
"density": 2.572008856934846,
"density_atomic": 0.18565011356009803,
"volume": 32.31885984307626,
"volume_molar": 3.243812052961946,
"formula_full": "H2 C4",
"formula_reduced": "HC2",
"formula_anonymous": "AB2",
"formation_energy": 2.991296872605276,
"spacegroup": 227
},
{
"id": "oqmd-1729553",
"created_at": "2022-09-04T16:01:44.966280Z",
"updated_at": "2022-09-04T16:01:44.966306Z",
"structure_string": "Ni2 H6 C1\n1.0\n0.000000 2.894733 2.894733\n2.894733 0.000000 2.894733\n2.894733 2.894733 0.000000\nC H Ni\n1 6 2\ndirect\n0.000000 0.000000 0.000000 C\n0.752588 0.247412 0.247412 H\n0.247412 0.752588 0.247412 H\n0.752588 0.752588 0.247412 H\n0.247412 0.247412 0.752588 H\n0.752588 0.247412 0.752588 H\n0.247412 0.752588 0.752588 H\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"C",
"H",
"Ni"
],
"chemical_system": "C-H-Ni",
"density": 4.636144801424912,
"density_atomic": 0.1855183945973574,
"volume": 48.512709586201865,
"volume_molar": 3.246115175301211,
"formula_full": "Ni2 H6 C1",
"formula_reduced": "Ni2H6C",
"formula_anonymous": "AB2C6",
"formation_energy": 0.9353958265994384,
"spacegroup": 225
},
{
"id": "oqmd-1589298",
"created_at": "2022-09-04T15:57:17.426940Z",
"updated_at": "2022-09-04T15:57:17.426967Z",
"structure_string": "Mn2 H4\n1.0\n0.000000 2.530197 2.530197\n2.530197 0.000000 2.530197\n2.530197 2.530197 0.000000\nH Mn\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 Mn\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"Mn"
],
"chemical_system": "H-Mn",
"density": 5.838613768343092,
"density_atomic": 0.1852073617492754,
"volume": 32.396120452935904,
"volume_molar": 3.2515666240915833,
"formula_full": "Mn2 H4",
"formula_reduced": "MnH2",
"formula_anonymous": "AB2",
"formation_energy": 0.5305490606128492,
"spacegroup": 227
},
{
"id": "oqmd-1281249",
"created_at": "2022-09-04T15:42:17.710907Z",
"updated_at": "2022-09-04T15:42:17.710927Z",
"structure_string": "Mn4 Pt4 O14\n1.0\n5.518213 0.000000 0.000000\n2.759107 4.778913 0.000000\n2.759107 1.592971 4.505602\nMn O Pt\n4 14 4\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.167546 0.167547 0.082453 O\n0.582453 0.167547 0.082453 O\n0.167546 0.582455 0.082453 O\n0.417546 0.417548 0.332453 O\n0.832453 0.417548 0.332453 O\n0.417546 0.832453 0.332453 O\n0.875000 0.875000 0.374999 O\n0.125000 0.125001 0.625000 O\n0.167547 0.582454 0.667546 O\n0.582454 0.582454 0.667546 O\n0.582453 0.167547 0.667547 O\n0.832454 0.417547 0.917546 O\n0.417547 0.832454 0.917546 O\n0.832454 0.832454 0.917546 O\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"O",
"Pt"
],
"chemical_system": "Mn-O-Pt",
"density": 17.10717946318185,
"density_atomic": 0.1851579102898194,
"volume": 118.81749996834802,
"volume_molar": 3.2524350434576697,
"formula_full": "Mn4 Pt4 O14",
"formula_reduced": "Mn2Pt2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -0.946449755052275,
"spacegroup": 227
},
{
"id": "oqmd-1281153",
"created_at": "2022-09-04T15:42:15.656507Z",
"updated_at": "2022-09-04T15:42:15.656533Z",
"structure_string": "Co4 Pt4 O14\n1.0\n5.519588 0.000000 0.000000\n2.759794 4.780103 0.000000\n2.759794 1.593368 4.506725\nCo O Pt\n4 14 4\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.167546 0.167547 0.082453 O\n0.582453 0.167547 0.082453 O\n0.167546 0.582455 0.082453 O\n0.417546 0.417548 0.332453 O\n0.832453 0.417548 0.332453 O\n0.417546 0.832453 0.332453 O\n0.875000 0.875000 0.374999 O\n0.125000 0.125001 0.625000 O\n0.167547 0.582454 0.667546 O\n0.582454 0.582454 0.667546 O\n0.582453 0.167547 0.667547 O\n0.832454 0.417547 0.917546 O\n0.417547 0.832454 0.917546 O\n0.832454 0.832454 0.917546 O\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Co",
"O",
"Pt"
],
"chemical_system": "Co-O-Pt",
"density": 17.317570114449765,
"density_atomic": 0.18501958650605124,
"volume": 118.90632994837263,
"volume_molar": 3.254866619109561,
"formula_full": "Co4 Pt4 O14",
"formula_reduced": "Co2Pt2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -0.637583811820244,
"spacegroup": 227
}
]
}