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=60",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=volume_molar&page=58",
"results": [
{
"id": "oqmd-1589646",
"created_at": "2022-09-04T15:57:20.103777Z",
"updated_at": "2022-09-04T15:57:20.103801Z",
"structure_string": "H2 N4\n1.0\n0.000000 2.699052 2.699052\n2.699052 0.000000 2.699052\n2.699052 2.699052 0.000000\nH N\n2 4\ndirect\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 H\n0.125000 0.125000 0.125000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 2.4509406981054074,
"density_atomic": 0.15257644771231244,
"volume": 39.324549037300855,
"volume_molar": 3.946966160435804,
"formula_full": "H2 N4",
"formula_reduced": "HN2",
"formula_anonymous": "AB2",
"formation_energy": 3.0532539657096045,
"spacegroup": 227
},
{
"id": "oqmd-338712",
"created_at": "2022-09-04T15:04:26.867531Z",
"updated_at": "2022-09-04T15:04:26.867558Z",
"structure_string": "Fe1 H1\n1.0\n1.663744 1.663744 0.000000\n0.000000 3.327487 0.000000\n0.000000 0.000000 2.368012\nFe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500002 0.500002 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 7.20137218445575,
"density_atomic": 0.15256089473975543,
"volume": 13.109519339223077,
"volume_molar": 3.9473685378371783,
"formula_full": "Fe1 H1",
"formula_reduced": "FeH",
"formula_anonymous": "AB",
"formation_energy": 0.530799333907912,
"spacegroup": 221
},
{
"id": "oqmd-1444349",
"created_at": "2022-09-04T15:50:49.619096Z",
"updated_at": "2022-09-04T15:50:49.619125Z",
"structure_string": "H16 S8\n1.0\n2.960374 -3.212810 0.000000\n2.960374 3.212810 0.000000\n0.000000 0.000000 8.271563\nH S\n16 8\ndirect\n0.352925 0.311089 0.099614 H\n0.688911 0.647075 0.099614 H\n0.101887 0.898113 0.116950 H\n0.788873 0.211127 0.147873 H\n0.788873 0.211127 0.352127 H\n0.101887 0.898113 0.383050 H\n0.352925 0.311089 0.400386 H\n0.688911 0.647075 0.400386 H\n0.311089 0.352925 0.599614 H\n0.647075 0.688911 0.599614 H\n0.898113 0.101887 0.616950 H\n0.211127 0.788873 0.647873 H\n0.211127 0.788873 0.852127 H\n0.898113 0.101887 0.883050 H\n0.311089 0.352925 0.900386 H\n0.647075 0.688911 0.900386 H\n0.459677 0.540323 0.013386 S\n0.964450 0.035550 0.243022 S\n0.964450 0.035550 0.256978 S\n0.459677 0.540323 0.486614 S\n0.540323 0.459677 0.513386 S\n0.035550 0.964450 0.743022 S\n0.035550 0.964450 0.756978 S\n0.540323 0.459677 0.986614 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 2.8774029390199445,
"density_atomic": 0.1525323776381716,
"volume": 157.3436431767385,
"volume_molar": 3.9481065287563877,
"formula_full": "H16 S8",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"formation_energy": -0.230432109460569,
"spacegroup": 63
},
{
"id": "oqmd-1455134",
"created_at": "2022-09-04T15:51:22.861653Z",
"updated_at": "2022-09-04T15:51:22.861686Z",
"structure_string": "Li2 B2 C2\n1.0\n3.209547 0.000000 0.000000\n-1.604774 2.779550 0.000000\n0.000000 0.000000 4.410472\nB C Li\n2 2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"C",
"Li"
],
"chemical_system": "B-C-Li",
"density": 2.5121647654319315,
"density_atomic": 0.15249231254192258,
"volume": 39.34624572206224,
"volume_molar": 3.949143835263444,
"formula_full": "Li2 B2 C2",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"formation_energy": 1.5236336091666665,
"spacegroup": 194
},
{
"id": "oqmd-307170",
"created_at": "2022-09-04T15:03:21.061989Z",
"updated_at": "2022-09-04T15:03:21.062021Z",
"structure_string": "Fe1 H1\n1.0\n2.358478 0.000000 0.000000\n0.000000 2.358478 0.000000\n0.000000 0.000000 2.358478\nFe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 7.196254880865077,
"density_atomic": 0.15245248478753362,
"volume": 13.118841603581028,
"volume_molar": 3.950175537245454,
"formula_full": "Fe1 H1",
"formula_reduced": "FeH",
"formula_anonymous": "AB",
"formation_energy": 0.508938383907911,
"spacegroup": 221
},
{
"id": "oqmd-1560861",
"created_at": "2022-09-04T15:57:20.167141Z",
"updated_at": "2022-09-04T15:57:20.167166Z",
"structure_string": "Ti1 V1 H4\n1.0\n3.034148 0.000000 0.000000\n0.000000 3.034148 0.000000\n0.000000 0.000000 4.277475\nH Ti V\n4 1 1\ndirect\n0.500000 0.000000 0.263522 H\n0.000000 0.500000 0.263522 H\n0.500000 0.000000 0.736478 H\n0.000000 0.500000 0.736478 H\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"Ti",
"V"
],
"chemical_system": "H-Ti-V",
"density": 4.336618931611285,
"density_atomic": 0.1523667655313338,
"volume": 39.37866620110221,
"volume_molar": 3.952397846734867,
"formula_full": "Ti1 V1 H4",
"formula_reduced": "TiVH4",
"formula_anonymous": "ABC4",
"formation_energy": -0.3423989154204936,
"spacegroup": 123
},
{
"id": "oqmd-1554565",
"created_at": "2022-09-04T15:57:00.528350Z",
"updated_at": "2022-09-04T15:57:00.528382Z",
"structure_string": "Ti1 V1 H4\n1.0\n3.034148 0.000000 0.000000\n0.000000 3.034148 0.000000\n0.000000 0.000000 4.277475\nH Ti V\n4 1 1\ndirect\n0.500000 0.000000 0.263522 H\n0.000000 0.500000 0.263522 H\n0.500000 0.000000 0.736478 H\n0.000000 0.500000 0.736478 H\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"Ti",
"V"
],
"chemical_system": "H-Ti-V",
"density": 4.336618931611285,
"density_atomic": 0.1523667655313338,
"volume": 39.37866620110221,
"volume_molar": 3.952397846734867,
"formula_full": "Ti1 V1 H4",
"formula_reduced": "TiVH4",
"formula_anonymous": "ABC4",
"formation_energy": -0.3423989154204936,
"spacegroup": 123
},
{
"id": "oqmd-22320",
"created_at": "2022-09-04T15:01:35.874866Z",
"updated_at": "2022-09-04T15:01:35.874885Z",
"structure_string": "B2 H12 N2\n1.0\n4.323961 0.000000 0.019572\n0.000000 5.371956 0.000000\n0.169006 0.000000 4.524850\nB H N\n2 12 2\ndirect\n0.153331 0.119951 0.159194 B\n0.846670 0.619951 0.840808 B\n0.774824 0.632258 0.103441 H\n0.871986 0.129556 0.192396 H\n0.220351 0.517240 0.220237 H\n0.255593 0.930317 0.266585 H\n0.533518 0.356622 0.294540 H\n0.766565 0.866418 0.462081 H\n0.233436 0.366418 0.537916 H\n0.466483 0.856621 0.705460 H\n0.744407 0.430318 0.733417 H\n0.779650 0.017241 0.779765 H\n0.128015 0.629557 0.807603 H\n0.225175 0.132257 0.896556 H\n0.295414 0.354336 0.315847 N\n0.704586 0.854337 0.684153 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.9754503894577504,
"density_atomic": 0.1522562084653252,
"volume": 105.08602677863108,
"volume_molar": 3.9552677823127858,
"formula_full": "B2 H12 N2",
"formula_reduced": "BH6N",
"formula_anonymous": "ABC6",
"formation_energy": -0.29330655355607,
"spacegroup": 4
},
{
"id": "oqmd-1277563",
"created_at": "2022-09-04T15:42:07.671233Z",
"updated_at": "2022-09-04T15:42:07.671252Z",
"structure_string": "Ag2 P2 N4\n1.0\n-2.107528 2.107528 2.957389\n2.107528 -2.107528 2.957389\n2.107528 2.107528 -2.957389\nAg N P\n2 4 2\ndirect\n0.374999 0.124999 0.250000 Ag\n0.125001 0.375001 0.750000 Ag\n0.878238 0.250000 0.128238 N\n0.621762 0.750000 0.371762 N\n0.250002 0.878238 0.628237 N\n0.750001 0.621764 0.871763 N\n0.874999 0.624999 0.250000 P\n0.625001 0.875001 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"N",
"P"
],
"chemical_system": "Ag-N-P",
"density": 10.54639685750274,
"density_atomic": 0.1522561472340374,
"volume": 52.543034519998486,
"volume_molar": 3.9552693729621238,
"formula_full": "Ag2 P2 N4",
"formula_reduced": "AgPN2",
"formula_anonymous": "ABC2",
"formation_energy": -0.194505795536737,
"spacegroup": 122
},
{
"id": "oqmd-1281390",
"created_at": "2022-09-04T15:42:20.093609Z",
"updated_at": "2022-09-04T15:42:20.093639Z",
"structure_string": "Mn4 Cd4 O14\n1.0\n5.890133 0.000000 0.000000\n2.945067 5.101005 0.000000\n2.945067 1.700335 4.809273\nCd Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 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\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"Mn",
"O"
],
"chemical_system": "Cd-Mn-O",
"density": 10.26665159069355,
"density_atomic": 0.15225178732093406,
"volume": 144.4974826707672,
"volume_molar": 3.9553826368591856,
"formula_full": "Mn4 Cd4 O14",
"formula_reduced": "Mn2Cd2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -1.03316158823409,
"spacegroup": 227
},
{
"id": "oqmd-343216",
"created_at": "2022-09-04T14:51:17.830947Z",
"updated_at": "2022-09-04T14:51:17.830960Z",
"structure_string": "Mg1 H3\n1.0\n2.973241 0.000000 0.000000\n0.000000 2.973241 0.000000\n0.000000 0.000000 2.973241\nH Mg\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 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Mg"
],
"chemical_system": "H-Mg",
"density": 1.7265519042748676,
"density_atomic": 0.15218423042901177,
"volume": 26.283932236105432,
"volume_molar": 3.9571384913032124,
"formula_full": "Mg1 H3",
"formula_reduced": "MgH3",
"formula_anonymous": "AB3",
"formation_energy": 0.395790836070201,
"spacegroup": 221
},
{
"id": "oqmd-1229708",
"created_at": "2022-09-04T15:39:19.744634Z",
"updated_at": "2022-09-04T15:39:19.744658Z",
"structure_string": "Ni1 H1\n1.0\n2.472198 0.000000 0.000000\n-1.236099 2.140939 0.000000\n0.000000 0.000000 2.483470\nH Ni\n1 1\ndirect\n0.666666 0.333330 0.749999 H\n0.333335 0.666670 0.250001 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Ni"
],
"chemical_system": "H-Ni",
"density": 7.542003230659068,
"density_atomic": 0.15215405578199584,
"volume": 13.144572385671871,
"volume_molar": 3.9579232568262506,
"formula_full": "Ni1 H1",
"formula_reduced": "NiH",
"formula_anonymous": "AB",
"formation_energy": 0.115065608907912,
"spacegroup": 187
}
]
}