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=31",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-density_atomic&page=29",
"results": [
{
"id": "oqmd-309483",
"created_at": "2022-09-04T15:17:00.333052Z",
"updated_at": "2022-09-04T15:17:00.333065Z",
"structure_string": "Al1 H3\n1.0\n0.000000 2.253916 2.253916\n2.253916 0.000000 2.253916\n2.253916 2.253916 0.000000\nAl H\n1 3\ndirect\n0.749999 0.749999 0.749999 Al\n0.000000 0.000000 0.000000 H\n0.249998 0.249998 0.249998 H\n0.500001 0.500001 0.500001 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"H"
],
"chemical_system": "Al-H",
"density": 2.175728715839965,
"density_atomic": 0.17466939504452741,
"volume": 22.900405643360155,
"volume_molar": 3.4477366561353304,
"formula_full": "Al1 H3",
"formula_reduced": "AlH3",
"formula_anonymous": "AB3",
"formation_energy": 0.567273728361868,
"spacegroup": 225
},
{
"id": "oqmd-1214707",
"created_at": "2022-09-04T15:39:02.962978Z",
"updated_at": "2022-09-04T15:39:02.963012Z",
"structure_string": "H4\n1.0\n-1.385065 -1.983792 0.000000\n-1.385065 1.983792 0.000000\n0.000000 0.000000 -4.168027\nH\n4\ndirect\n0.007309 0.992694 0.088977 H\n0.507305 0.492691 0.411019 H\n0.492691 0.507305 0.588979 H\n0.992694 0.007309 0.911021 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.29229202122519754,
"density_atomic": 0.17463576159804578,
"volume": 22.904816077744073,
"volume_molar": 3.4484006625521477,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.03096049,
"spacegroup": 64
},
{
"id": "oqmd-1444022",
"created_at": "2022-09-04T15:50:48.189878Z",
"updated_at": "2022-09-04T15:50:48.189904Z",
"structure_string": "Li4 Pd2 O12\n1.0\n2.462138 1.421516 4.908494\n-2.462138 1.421516 4.908494\n0.000000 -2.843033 4.908494\nLi O Pd\n4 12 2\ndirect\n0.172427 0.172427 0.172427 Li\n0.327573 0.327573 0.327573 Li\n0.672427 0.672427 0.672427 Li\n0.827573 0.827573 0.827573 Li\n0.750000 0.413583 0.086417 O\n0.413583 0.750000 0.086417 O\n0.913583 0.586417 0.250000 O\n0.586417 0.913583 0.250000 O\n0.086417 0.750000 0.413583 O\n0.750000 0.086417 0.413583 O\n0.913583 0.250000 0.586417 O\n0.250000 0.913583 0.586417 O\n0.413583 0.086417 0.750000 O\n0.086417 0.413583 0.750000 O\n0.586417 0.250000 0.913583 O\n0.250000 0.586417 0.913583 O\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"O",
"Pd"
],
"chemical_system": "Li-O-Pd",
"density": 6.968970723478061,
"density_atomic": 0.17462593526926912,
"volume": 103.07747226804781,
"volume_molar": 3.4485947065732248,
"formula_full": "Li4 Pd2 O12",
"formula_reduced": "Li2PdO6",
"formula_anonymous": "AB2C6",
"formation_energy": -1.4044270071060438,
"spacegroup": 166
},
{
"id": "oqmd-349624",
"created_at": "2022-09-04T14:51:05.985442Z",
"updated_at": "2022-09-04T14:51:05.985469Z",
"structure_string": "Tc1 H3\n1.0\n2.840481 0.000000 0.000000\n0.000000 2.840481 0.000000\n0.000000 0.000000 2.840481\nH Tc\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 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Tc"
],
"chemical_system": "H-Tc",
"density": 7.319766342927218,
"density_atomic": 0.174535721427487,
"volume": 22.91794463210701,
"volume_molar": 3.4503772126108703,
"formula_full": "Tc1 H3",
"formula_reduced": "TcH3",
"formula_anonymous": "AB3",
"formation_energy": 0.320210859611869,
"spacegroup": 221
},
{
"id": "oqmd-345817",
"created_at": "2022-09-04T14:50:52.905861Z",
"updated_at": "2022-09-04T14:50:52.905898Z",
"structure_string": "Si1 H3\n1.0\n2.841069 0.000000 0.000000\n0.000000 2.841069 0.000000\n0.000000 0.000000 2.841069\nH Si\n3 1\ndirect\n0.499998 0.499998 0.000000 H\n0.499998 0.000000 0.499998 H\n0.000000 0.499998 0.499998 H\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Si"
],
"chemical_system": "H-Si",
"density": 2.2526528630236635,
"density_atomic": 0.17442737583764029,
"volume": 22.932180116745332,
"volume_molar": 3.452520414917841,
"formula_full": "Si1 H3",
"formula_reduced": "SiH3",
"formula_anonymous": "AB3",
"formation_energy": 0.800063152111869,
"spacegroup": 221
},
{
"id": "oqmd-311592",
"created_at": "2022-09-04T14:50:18.222164Z",
"updated_at": "2022-09-04T14:50:18.222192Z",
"structure_string": "P1 H3\n1.0\n0.000000 2.255200 2.255200\n2.255200 0.000000 2.255200\n2.255200 2.255200 0.000000\nH P\n3 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n0.750000 0.750000 0.750000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"P"
],
"chemical_system": "H-P",
"density": 2.461001866880378,
"density_atomic": 0.17437122037794414,
"volume": 22.939565321215998,
"volume_molar": 3.4536322834394335,
"formula_full": "P1 H3",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"formation_energy": 1.00717516862188,
"spacegroup": 225
},
{
"id": "oqmd-1718907",
"created_at": "2022-09-04T16:01:00.181488Z",
"updated_at": "2022-09-04T16:01:00.181504Z",
"structure_string": "Mn1 Ni2 H6\n1.0\n0.000000 2.955407 2.955407\n2.955407 0.000000 2.955407\n2.955407 2.955407 0.000000\nH Mn Ni\n6 1 2\ndirect\n0.728126 0.271874 0.271874 H\n0.728126 0.728126 0.271874 H\n0.271874 0.728126 0.271874 H\n0.271874 0.271874 0.728126 H\n0.728126 0.271874 0.728126 H\n0.271874 0.728126 0.728126 H\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"Mn",
"Ni"
],
"chemical_system": "H-Mn-Ni",
"density": 5.737135030405766,
"density_atomic": 0.17432538012661022,
"volume": 51.627594292141616,
"volume_molar": 3.4545404436383267,
"formula_full": "Mn1 Ni2 H6",
"formula_reduced": "Mn(NiH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.2911037481224273,
"spacegroup": 225
},
{
"id": "oqmd-345880",
"created_at": "2022-09-04T15:16:00.953574Z",
"updated_at": "2022-09-04T15:16:00.953601Z",
"structure_string": "H3 Os1\n1.0\n2.841656 0.000000 0.000000\n0.000000 2.841656 0.000000\n0.000000 0.000000 2.841656\nH Os\n3 1\ndirect\n0.500001 0.500001 0.000000 H\n0.500001 0.000000 0.500001 H\n0.000000 0.500001 0.500001 H\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"Os"
],
"chemical_system": "H-Os",
"density": 13.98500662666635,
"density_atomic": 0.17431930393804798,
"volume": 22.94639727004403,
"volume_molar": 3.454660857377122,
"formula_full": "H3 Os1",
"formula_reduced": "H3Os",
"formula_anonymous": "AB3",
"formation_energy": 0.477381225861869,
"spacegroup": 221
},
{
"id": "oqmd-1718928",
"created_at": "2022-09-04T16:01:00.572428Z",
"updated_at": "2022-09-04T16:01:00.572449Z",
"structure_string": "V1 Co2 H6\n1.0\n0.000000 2.955727 2.955727\n2.955727 0.000000 2.955727\n2.955727 2.955727 0.000000\nCo H V\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.714959 0.285041 0.285041 H\n0.285041 0.714959 0.285041 H\n0.714959 0.714959 0.285041 H\n0.285041 0.285041 0.714959 H\n0.714959 0.285041 0.714959 H\n0.285041 0.714959 0.714959 H\n0.000000 0.000000 0.000000 V\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"V"
],
"chemical_system": "Co-H-V",
"density": 5.62218998620904,
"density_atomic": 0.17426876656004184,
"volume": 51.64436621463765,
"volume_molar": 3.4556626978392924,
"formula_full": "V1 Co2 H6",
"formula_reduced": "V(CoH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.3726913663216614,
"spacegroup": 225
},
{
"id": "oqmd-1715400",
"created_at": "2022-09-04T16:00:39.013075Z",
"updated_at": "2022-09-04T16:00:39.013112Z",
"structure_string": "V1 Fe2 H6\n1.0\n0.000000 2.956043 2.956043\n2.956043 0.000000 2.956043\n2.956043 2.956043 0.000000\nFe H V\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.713463 0.713463 0.286537 H\n0.286537 0.713463 0.286537 H\n0.713463 0.286537 0.286537 H\n0.713463 0.286537 0.713463 H\n0.286537 0.286537 0.713463 H\n0.286537 0.713463 0.713463 H\n0.000000 0.000000 0.000000 V\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"H",
"V"
],
"chemical_system": "Fe-H-V",
"density": 5.4218592379832575,
"density_atomic": 0.17421288471705848,
"volume": 51.66093205228203,
"volume_molar": 3.4567711623515343,
"formula_full": "V1 Fe2 H6",
"formula_reduced": "V(FeH3)2",
"formula_anonymous": "AB2C6",
"formation_energy": 0.3029521018772164,
"spacegroup": 225
},
{
"id": "oqmd-326546",
"created_at": "2022-09-04T15:04:03.327476Z",
"updated_at": "2022-09-04T15:04:03.327504Z",
"structure_string": "Be1 H1\n1.0\n1.077366 0.622017 2.856396\n-1.077366 0.622017 2.856396\n0.000000 -1.244036 2.856396\nBe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"H"
],
"chemical_system": "Be-H",
"density": 1.4487266679293913,
"density_atomic": 0.17413831727900225,
"volume": 11.485123040414045,
"volume_molar": 3.458251379764627,
"formula_full": "Be1 H1",
"formula_reduced": "BeH",
"formula_anonymous": "AB",
"formation_energy": 0.478754613907912,
"spacegroup": 166
},
{
"id": "oqmd-1589301",
"created_at": "2022-09-04T15:57:17.234859Z",
"updated_at": "2022-09-04T15:57:17.234895Z",
"structure_string": "Ni2 H4\n1.0\n0.000000 2.583029 2.583029\n2.583029 0.000000 2.583029\n2.583029 2.583029 0.000000\nH Ni\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 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"Ni"
],
"chemical_system": "H-Ni",
"density": 5.8494675152209075,
"density_atomic": 0.17407379939219117,
"volume": 34.46813949571986,
"volume_molar": 3.45953312964234,
"formula_full": "Ni2 H4",
"formula_reduced": "NiH2",
"formula_anonymous": "AB2",
"formation_energy": 0.7516155068772162,
"spacegroup": 227
}
]
}