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=formula_anonymous&page=27",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=25",
"results": [
{
"id": "oqmd-593864",
"created_at": "2022-09-04T15:15:50.846192Z",
"updated_at": "2022-09-04T15:15:50.846214Z",
"structure_string": "C4\n1.0\n2.463633 0.000000 0.000000\n-1.231816 2.133629 0.000000\n0.000000 0.000000 6.708810\nC\n4\ndirect\n0.333329 0.666658 0.250000 C\n0.000000 0.000000 0.250000 C\n0.000000 0.000000 0.750000 C\n0.666673 0.333343 0.750000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.262231250470412,
"density_atomic": 0.11342781875087729,
"volume": 35.26471763320462,
"volume_molar": 5.3092273362203075,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.0108062800000006,
"spacegroup": 194
},
{
"id": "oqmd-57247",
"created_at": "2022-09-04T15:15:50.803445Z",
"updated_at": "2022-09-04T15:15:50.803474Z",
"structure_string": "H2\n1.0\n1.522340 0.000000 0.000000\n-0.761170 2.001444 0.000000\n0.000000 0.000000 2.101587\nH\n2\ndirect\n0.249927 0.499854 0.249997 H\n0.750072 0.500144 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.5227707721199663,
"density_atomic": 0.3123399384892226,
"volume": 6.403279739612969,
"volume_molar": 1.9280725958802722,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.892155735,
"spacegroup": 69
},
{
"id": "oqmd-8100",
"created_at": "2022-09-04T14:48:47.551732Z",
"updated_at": "2022-09-04T14:48:47.551755Z",
"structure_string": "Al1\n1.0\n2.019908 -2.019908 0.000000\n-2.019908 0.000000 -2.019908\n2.019908 2.019908 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.7182603191193113,
"density_atomic": 0.06067017345599427,
"volume": 16.482563721782125,
"volume_molar": 9.926031881824143,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"formation_energy": 0.0007887799999997,
"spacegroup": 225
},
{
"id": "oqmd-1280387",
"created_at": "2022-09-04T15:42:17.869609Z",
"updated_at": "2022-09-04T15:42:17.869627Z",
"structure_string": "Ge8\n1.0\n5.395538 0.000000 0.000000\n0.000000 5.395538 0.000000\n0.000000 0.000000 5.395538\nGe\n8\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.250000 0.000000 0.500000 Ge\n0.750000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.750000 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.143426309812528,
"density_atomic": 0.05093141244378254,
"volume": 157.07398668415686,
"volume_molar": 11.824020719329479,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"formation_energy": 0.38470920125,
"spacegroup": 223
},
{
"id": "oqmd-593870",
"created_at": "2022-09-04T15:15:50.874804Z",
"updated_at": "2022-09-04T15:15:50.874835Z",
"structure_string": "Be2\n1.0\n2.268317 0.000000 0.000000\n-1.134159 1.964348 0.000000\n0.000000 0.000000 3.554198\nBe\n2\ndirect\n0.333312 0.666623 0.250000 Be\n0.666690 0.333378 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8899279681728811,
"density_atomic": 0.12628919671763247,
"volume": 15.836667363335604,
"volume_molar": 4.768532001565253,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.0001096600000001,
"spacegroup": 194
},
{
"id": "oqmd-1484491",
"created_at": "2022-09-04T15:52:54.719653Z",
"updated_at": "2022-09-04T15:52:54.719674Z",
"structure_string": "Ni13\n1.0\n2.292974 1.323849 8.001025\n-2.292974 1.323849 8.001025\n0.000000 -2.647698 8.001025\nNi\n13\ndirect\n0.000000 0.000000 0.000000 Ni\n0.583996 0.089037 0.089037 Ni\n0.089037 0.583996 0.089037 Ni\n0.165815 0.165815 0.165815 Ni\n0.348378 0.348378 0.348378 Ni\n0.910963 0.910963 0.416004 Ni\n0.452394 0.452394 0.452394 Ni\n0.547606 0.547606 0.547606 Ni\n0.089037 0.089037 0.583996 Ni\n0.651622 0.651622 0.651622 Ni\n0.834185 0.834185 0.834185 Ni\n0.910963 0.416004 0.910963 Ni\n0.416004 0.910963 0.910963 Ni\n",
"nsites": 13,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.694552978002415,
"density_atomic": 0.08920904547513375,
"volume": 145.72513281317012,
"volume_molar": 6.75059432362004,
"formula_full": "Ni13",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"formation_energy": 0.1619825092307687,
"spacegroup": 166
},
{
"id": "oqmd-1277936",
"created_at": "2022-09-04T15:42:07.856443Z",
"updated_at": "2022-09-04T15:42:07.856471Z",
"structure_string": "K28\n1.0\n9.993580 -9.993580 0.000000\n9.993580 9.993580 0.000000\n-9.993580 0.000000 9.993580\nK\n28\ndirect\n0.000000 0.000000 0.000000 K\n0.707546 0.062746 0.000000 K\n0.437253 0.207545 0.000000 K\n0.937254 0.292454 0.000000 K\n0.207545 0.437253 0.000000 K\n0.500000 0.500000 0.000000 K\n0.792454 0.562746 0.000000 K\n0.062746 0.707546 0.000000 K\n0.562746 0.792454 0.000000 K\n0.292454 0.937254 0.000000 K\n0.292454 0.292454 0.229708 K\n0.792455 0.437254 0.229708 K\n0.437254 0.792455 0.229708 K\n0.937254 0.937254 0.229708 K\n0.292453 0.062746 0.355200 K\n0.062746 0.292453 0.355200 K\n0.562746 0.562746 0.355200 K\n0.792454 0.792454 0.355200 K\n0.750000 0.249999 0.500000 K\n0.249999 0.750000 0.500000 K\n0.207545 0.207545 0.644799 K\n0.437254 0.437254 0.644799 K\n0.937253 0.707546 0.644799 K\n0.707546 0.937253 0.644799 K\n0.062747 0.062747 0.770293 K\n0.562746 0.207545 0.770293 K\n0.207545 0.562746 0.770293 K\n0.707546 0.707546 0.770293 K\n",
"nsites": 28,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.9106924320282123,
"density_atomic": 0.014026998658857008,
"volume": 1996.1504724547813,
"volume_molar": 42.93249686879713,
"formula_full": "K28",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.0599613535714301,
"spacegroup": 226
},
{
"id": "oqmd-593869",
"created_at": "2022-09-04T15:15:50.910282Z",
"updated_at": "2022-09-04T15:15:50.910299Z",
"structure_string": "Cu1\n1.0\n1.803428 -1.803428 0.000000\n-1.803428 0.000000 -1.803428\n1.803428 1.803428 0.000000\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.995201482348714,
"density_atomic": 0.08524591557294674,
"volume": 11.730767313353317,
"volume_molar": 7.06443319838207,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"formation_energy": 0.0003484500000001,
"spacegroup": 225
},
{
"id": "oqmd-1277930",
"created_at": "2022-09-04T15:42:07.910172Z",
"updated_at": "2022-09-04T15:42:07.910194Z",
"structure_string": "Sb28\n1.0\n7.619796 -7.619796 0.000000\n7.619796 7.619796 0.000000\n-7.619796 0.000000 7.619796\nSb\n28\ndirect\n0.000000 0.000000 0.000000 Sb\n0.707546 0.062746 0.000000 Sb\n0.437253 0.207545 0.000000 Sb\n0.937254 0.292454 0.000000 Sb\n0.207545 0.437253 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.792454 0.562746 0.000000 Sb\n0.062746 0.707546 0.000000 Sb\n0.562746 0.792454 0.000000 Sb\n0.292454 0.937254 0.000000 Sb\n0.292454 0.292454 0.229708 Sb\n0.792455 0.437254 0.229708 Sb\n0.437254 0.792455 0.229708 Sb\n0.937254 0.937254 0.229708 Sb\n0.292453 0.062746 0.355200 Sb\n0.062746 0.292453 0.355200 Sb\n0.562746 0.562746 0.355200 Sb\n0.792454 0.792454 0.355200 Sb\n0.750000 0.249999 0.500000 Sb\n0.249999 0.750000 0.500000 Sb\n0.207545 0.207545 0.644799 Sb\n0.437254 0.437254 0.644799 Sb\n0.937253 0.707546 0.644799 Sb\n0.707546 0.937253 0.644799 Sb\n0.062747 0.062747 0.770293 Sb\n0.562746 0.207545 0.770293 Sb\n0.207545 0.562746 0.770293 Sb\n0.707546 0.707546 0.770293 Sb\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.398110543738557,
"density_atomic": 0.03164448283980698,
"volume": 884.8303870770665,
"volume_molar": 19.030618356083497,
"formula_full": "Sb28",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"formation_energy": 0.39848437678571,
"spacegroup": 226
},
{
"id": "oqmd-12054",
"created_at": "2022-09-04T14:48:47.585666Z",
"updated_at": "2022-09-04T14:48:47.585692Z",
"structure_string": "Ne1\n1.0\n1.779066 -1.779066 0.000000\n-1.779066 0.000000 -1.779066\n1.779066 1.779066 0.000000\nNe\n1\ndirect\n0.000000 0.000000 0.000000 Ne\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 2.975484057453699,
"density_atomic": 0.08879608631106732,
"volume": 11.26175760153252,
"volume_molar": 6.781988948142882,
"formula_full": "Ne1",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"formation_energy": 0.20662014,
"spacegroup": 225
},
{
"id": "oqmd-1277919",
"created_at": "2022-09-04T15:42:08.224286Z",
"updated_at": "2022-09-04T15:42:08.224315Z",
"structure_string": "Be28\n1.0\n0.000000 4.796283 4.796283\n4.796283 0.000000 4.796283\n4.796283 4.796283 0.000000\nBe\n28\ndirect\n0.000000 0.000000 0.000000 Be\n0.707546 0.292454 0.062746 Be\n0.937254 0.707546 0.062746 Be\n0.292454 0.937254 0.062746 Be\n0.792455 0.437254 0.207545 Be\n0.437254 0.562746 0.207545 Be\n0.562746 0.792455 0.207545 Be\n0.250000 0.250000 0.250000 Be\n0.937254 0.062746 0.292454 Be\n0.062746 0.707546 0.292454 Be\n0.707546 0.937254 0.292454 Be\n0.562746 0.207545 0.437254 Be\n0.792455 0.562746 0.437254 Be\n0.207545 0.792455 0.437254 Be\n0.500000 0.500000 0.500000 Be\n0.792455 0.207545 0.562746 Be\n0.207545 0.437254 0.562746 Be\n0.437254 0.792455 0.562746 Be\n0.292454 0.062746 0.707546 Be\n0.937254 0.292454 0.707546 Be\n0.062746 0.937254 0.707546 Be\n0.750000 0.750000 0.750000 Be\n0.437254 0.207545 0.792455 Be\n0.562746 0.437254 0.792455 Be\n0.207545 0.562746 0.792455 Be\n0.707546 0.062746 0.937254 Be\n0.062746 0.292454 0.937254 Be\n0.292454 0.707546 0.937254 Be\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8988588624921188,
"density_atomic": 0.12688597896994072,
"volume": 220.67055972065438,
"volume_molar": 4.746104186520597,
"formula_full": "Be28",
"formula_reduced": "Be",
"formula_anonymous": "A",
"formation_energy": 0.1954583375,
"spacegroup": 226
},
{
"id": "oqmd-100324",
"created_at": "2022-09-04T15:16:20.807658Z",
"updated_at": "2022-09-04T15:16:20.807684Z",
"structure_string": "K8\n1.0\n0.000000 0.000000 -8.490439\n-6.008258 6.008258 4.245219\n6.008258 6.008258 -4.245219\nK\n8\ndirect\n0.002745 0.250911 0.245422 K\n0.251833 0.749088 0.245423 K\n0.497257 0.245422 0.250911 K\n0.751834 0.754578 0.250913 K\n0.502746 0.754577 0.749087 K\n0.248169 0.245423 0.749088 K\n0.997256 0.749087 0.754577 K\n0.748168 0.250913 0.754578 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8473048074302688,
"density_atomic": 0.013050666700938707,
"volume": 612.9955030898595,
"volume_molar": 46.14431506067687,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.1053905225,
"spacegroup": 140
}
]
}