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=volume_molar&page=94",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=92",
"results": [
{
"id": "oqmd-1232886",
"created_at": "2022-09-04T15:39:24.184517Z",
"updated_at": "2022-09-04T15:39:24.184543Z",
"structure_string": "H2 F4\n1.0\n4.714318 0.000000 0.000000\n0.000000 4.714318 0.000000\n0.000000 0.000000 1.905681\nF H\n4 2\ndirect\n0.332243 0.332243 0.000000 F\n0.667757 0.667757 0.000000 F\n0.832241 0.167759 0.500000 F\n0.167759 0.832241 0.500000 F\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"F",
"H"
],
"chemical_system": "F-H",
"density": 3.058500807315682,
"density_atomic": 0.14166523884329468,
"volume": 42.3533680456149,
"volume_molar": 4.250965733846317,
"formula_full": "H2 F4",
"formula_reduced": "HF2",
"formula_anonymous": "AB2",
"formation_energy": -0.478745391815462,
"spacegroup": 136
},
{
"id": "oqmd-20865",
"created_at": "2022-09-04T14:49:41.682872Z",
"updated_at": "2022-09-04T14:49:41.682892Z",
"structure_string": "Li1 B11\n1.0\n-3.485905 3.485905 0.000000\n3.485905 0.000000 -3.485905\n-3.485905 -3.485905 0.000000\nB Li\n11 1\ndirect\n0.093109 0.186218 0.279328 B\n0.320938 0.000000 0.320938 B\n0.679063 0.000000 0.320938 B\n0.320938 0.641876 0.320938 B\n0.679062 0.000000 0.679062 B\n0.320938 0.000000 0.679063 B\n0.679063 0.358125 0.679063 B\n0.250000 0.499999 0.749999 B\n0.093109 0.186218 0.906892 B\n0.093109 0.813783 0.906892 B\n0.720674 0.813783 0.906892 B\n0.749999 0.499999 0.250000 Li\n",
"nsites": 12,
"nelements": 2,
"elements": [
"B",
"Li"
],
"chemical_system": "B-Li",
"density": 2.4669882929279283,
"density_atomic": 0.14164609580414933,
"volume": 84.71818394904518,
"volume_molar": 4.251540238939357,
"formula_full": "Li1 B11",
"formula_reduced": "LiB11",
"formula_anonymous": "AB11",
"formation_energy": 0.262226378333333,
"spacegroup": 216
},
{
"id": "oqmd-1370472",
"created_at": "2022-09-04T15:49:36.335375Z",
"updated_at": "2022-09-04T15:49:36.335401Z",
"structure_string": "Ta2 Fe2 H6\n1.0\n1.747453 -4.841399 0.000000\n1.747453 4.841399 0.000000\n0.000000 0.000000 4.172811\nFe H Ta\n2 6 2\ndirect\n0.076400 0.923599 0.249999 Fe\n0.923599 0.076400 0.750000 Fe\n0.805486 0.194512 0.018491 H\n0.586502 0.413496 0.249999 H\n0.805486 0.194512 0.481510 H\n0.194512 0.805486 0.518492 H\n0.413496 0.586502 0.750000 H\n0.194512 0.805486 0.981509 H\n0.375095 0.624903 0.249999 Ta\n0.624903 0.375095 0.750000 Ta\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"H",
"Ta"
],
"chemical_system": "Fe-H-Ta",
"density": 11.280372097922776,
"density_atomic": 0.14163314861380233,
"volume": 70.60494028320632,
"volume_molar": 4.251928887368627,
"formula_full": "Ta2 Fe2 H6",
"formula_reduced": "TaFeH3",
"formula_anonymous": "ABC3",
"formation_energy": -0.0819073473105057,
"spacegroup": 63
},
{
"id": "oqmd-1745660",
"created_at": "2022-09-04T16:02:34.619277Z",
"updated_at": "2022-09-04T16:02:34.619309Z",
"structure_string": "V2 H4\n1.0\n3.919382 0.000000 0.000000\n0.000000 3.919382 0.000000\n0.000000 0.000000 2.757971\nH V\n4 2\ndirect\n0.688290 0.311710 0.000000 H\n0.311710 0.688290 0.000000 H\n0.188290 0.188290 0.500000 H\n0.811710 0.811710 0.500000 H\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"V"
],
"chemical_system": "H-V",
"density": 4.151267325069255,
"density_atomic": 0.1416205796392969,
"volume": 42.3667239272838,
"volume_molar": 4.252306250502717,
"formula_full": "V2 H4",
"formula_reduced": "VH2",
"formula_anonymous": "AB2",
"formation_energy": 0.0532826535438838,
"spacegroup": 136
},
{
"id": "oqmd-10094",
"created_at": "2022-09-04T14:49:21.374136Z",
"updated_at": "2022-09-04T14:49:21.374165Z",
"structure_string": "Ti1 H2\n1.0\n1.583203 1.583203 2.113185\n1.583203 -1.583203 -2.113185\n-1.583203 1.583203 -2.113185\nH Ti\n2 1\ndirect\n0.499999 0.749998 0.249999 H\n0.499999 0.249999 0.749998 H\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Ti"
],
"chemical_system": "H-Ti",
"density": 3.909578144407502,
"density_atomic": 0.14159585356325396,
"volume": 21.187061093281482,
"volume_molar": 4.253048806482019,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"formation_energy": -0.493279956051538,
"spacegroup": 139
},
{
"id": "oqmd-311359",
"created_at": "2022-09-04T14:50:18.601097Z",
"updated_at": "2022-09-04T14:50:18.601125Z",
"structure_string": "C3 F1\n1.0\n0.000000 2.417411 2.417411\n2.417411 0.000000 2.417411\n2.417411 2.417411 0.000000\nC F\n3 1\ndirect\n0.000000 0.000000 0.000000 C\n0.250001 0.250001 0.250001 C\n0.500000 0.500000 0.500000 C\n0.750001 0.750001 0.750001 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"F"
],
"chemical_system": "C-F",
"density": 3.234231509834187,
"density_atomic": 0.14157237369677284,
"volume": 28.254099974105195,
"volume_molar": 4.253754177279346,
"formula_full": "C3 F1",
"formula_reduced": "C3F",
"formula_anonymous": "AB3",
"formation_energy": 3.24137412709222,
"spacegroup": 225
},
{
"id": "oqmd-1472868",
"created_at": "2022-09-04T15:51:45.223156Z",
"updated_at": "2022-09-04T15:51:45.223191Z",
"structure_string": "Fe1 H2\n1.0\n2.479075 0.000000 0.000000\n-1.239538 2.146942 0.000000\n0.000000 0.000000 3.982955\nFe H\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.240886 H\n0.666667 0.333333 0.759114 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 4.5323011025660325,
"density_atomic": 0.14151610837471598,
"volume": 21.19900013118221,
"volume_molar": 4.255445425374591,
"formula_full": "Fe1 H2",
"formula_reduced": "FeH2",
"formula_anonymous": "AB2",
"formation_energy": 0.1369971985438827,
"spacegroup": 164
},
{
"id": "oqmd-308603",
"created_at": "2022-09-04T15:15:53.244717Z",
"updated_at": "2022-09-04T15:15:53.244739Z",
"structure_string": "Ge1 H3\n1.0\n0.000000 2.417990 2.417990\n2.417990 0.000000 2.417990\n2.417990 2.417990 0.000000\nGe H\n1 3\ndirect\n0.750001 0.750001 0.750001 Ge\n0.000000 0.000000 0.000000 H\n0.250001 0.250001 0.250001 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 4.443691124232887,
"density_atomic": 0.1414706973734129,
"volume": 28.274406462010802,
"volume_molar": 4.256811390492066,
"formula_full": "Ge1 H3",
"formula_reduced": "GeH3",
"formula_anonymous": "AB3",
"formation_energy": 0.839149307111869,
"spacegroup": 225
},
{
"id": "oqmd-110838",
"created_at": "2022-09-04T15:15:52.153306Z",
"updated_at": "2022-09-04T15:15:52.153332Z",
"structure_string": "Ti1 H2\n1.0\n1.568648 1.568648 2.155417\n1.568648 -1.568648 -2.155417\n-1.568648 1.568648 -2.155417\nH Ti\n2 1\ndirect\n0.500001 0.750001 0.250000 H\n0.500001 0.250000 0.750001 H\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Ti"
],
"chemical_system": "H-Ti",
"density": 3.9044361190014203,
"density_atomic": 0.14140962132808055,
"volume": 21.214963818054382,
"volume_molar": 4.258649944354351,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"formation_energy": -0.492122439384871,
"spacegroup": 225
},
{
"id": "oqmd-21130",
"created_at": "2022-09-04T14:49:19.635349Z",
"updated_at": "2022-09-04T14:49:19.635377Z",
"structure_string": "Ti1 H2\n1.0\n2.197282 -2.197282 0.000000\n-2.197282 0.000000 -2.197282\n2.197282 2.197282 0.000000\nH Ti\n2 1\ndirect\n0.749999 0.500000 0.250000 H\n0.250000 0.500000 0.749999 H\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Ti"
],
"chemical_system": "H-Ti",
"density": 3.904030729003059,
"density_atomic": 0.14139493904249276,
"volume": 21.217166755158217,
"volume_molar": 4.259092157598508,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"formation_energy": -0.491418082718204,
"spacegroup": 225
},
{
"id": "oqmd-1710690",
"created_at": "2022-09-04T16:03:16.502823Z",
"updated_at": "2022-09-04T16:03:16.502841Z",
"structure_string": "Be2 C2 O6\n1.0\n2.142328 1.236874 4.448593\n-2.142328 1.236874 4.448593\n0.000000 -2.473748 4.448593\nBe C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 C\n0.750000 0.750000 0.750000 C\n0.750000 0.448571 0.051429 O\n0.551429 0.948571 0.250000 O\n0.051429 0.750000 0.448571 O\n0.948571 0.250000 0.551429 O\n0.448571 0.051429 0.750000 O\n0.250000 0.551429 0.948571 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Be",
"C",
"O"
],
"chemical_system": "Be-C-O",
"density": 3.240973703895167,
"density_atomic": 0.14138868361307436,
"volume": 70.72701820582824,
"volume_molar": 4.259280591705803,
"formula_full": "Be2 C2 O6",
"formula_reduced": "BeCO3",
"formula_anonymous": "ABC3",
"formation_energy": -1.8758901170272533,
"spacegroup": 167
},
{
"id": "oqmd-1589578",
"created_at": "2022-09-04T15:57:20.448180Z",
"updated_at": "2022-09-04T15:57:20.448212Z",
"structure_string": "C4 N2\n1.0\n0.000000 2.768495 2.768495\n2.768495 0.000000 2.768495\n2.768495 2.768495 0.000000\nC N\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 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.9759285113578557,
"density_atomic": 0.1413806663489962,
"volume": 42.43861735089778,
"volume_molar": 4.25952212244808,
"formula_full": "C4 N2",
"formula_reduced": "C2N",
"formula_anonymous": "AB2",
"formation_energy": 4.39502576821883,
"spacegroup": 227
}
]
}