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=86",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=84",
"results": [
{
"id": "oqmd-594127",
"created_at": "2022-09-04T15:16:05.849564Z",
"updated_at": "2022-09-04T15:16:05.849587Z",
"structure_string": "Co46\n1.0\n7.795627 -0.000061 0.000000\n-3.897867 6.751502 0.000000\n0.000000 0.000000 9.509806\nCo\n46\ndirect\n0.000000 0.000000 0.105220 Co\n0.030398 0.515209 0.109237 Co\n0.484792 0.969571 0.109238 Co\n0.484804 0.515217 0.109241 Co\n0.666658 0.333359 0.194393 Co\n0.834433 0.668891 0.217608 Co\n0.331113 0.165579 0.217612 Co\n0.834423 0.165572 0.217673 Co\n0.165515 0.834481 0.244625 Co\n0.668945 0.834494 0.244667 Co\n0.165493 0.331057 0.244682 Co\n0.333323 0.666672 0.268174 Co\n0.970078 0.485123 0.352410 Co\n0.514872 0.029928 0.352411 Co\n0.514959 0.485026 0.352421 Co\n0.000000 0.000000 0.359024 Co\n0.666686 0.333327 0.480205 Co\n0.221465 0.443003 0.481472 Co\n0.556962 0.778538 0.481474 Co\n0.221479 0.778515 0.481510 Co\n0.842901 0.157109 0.481800 Co\n0.314211 0.157171 0.481846 Co\n0.842820 0.685775 0.481849 Co\n0.000000 0.000000 0.605222 Co\n0.969600 0.484790 0.609237 Co\n0.515207 0.030429 0.609240 Co\n0.515198 0.484783 0.609241 Co\n0.333341 0.666641 0.694394 Co\n0.165568 0.331109 0.717608 Co\n0.668888 0.834420 0.717612 Co\n0.165577 0.834428 0.717674 Co\n0.834485 0.165519 0.744627 Co\n0.331053 0.165505 0.744667 Co\n0.834506 0.668945 0.744682 Co\n0.666678 0.333327 0.768174 Co\n0.029924 0.514878 0.852411 Co\n0.485129 0.970073 0.852412 Co\n0.485043 0.514974 0.852422 Co\n0.000000 0.000000 0.859024 Co\n0.333313 0.666672 0.980205 Co\n0.778535 0.556997 0.981473 Co\n0.443036 0.221460 0.981475 Co\n0.778521 0.221485 0.981511 Co\n0.157098 0.842891 0.981800 Co\n0.685788 0.842829 0.981845 Co\n0.157181 0.314225 0.981848 Co\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.993852658534072,
"density_atomic": 0.09190448049373484,
"volume": 500.5196672988738,
"volume_molar": 6.5526084557004065,
"formula_full": "Co46",
"formula_reduced": "Co",
"formula_anonymous": "A",
"formation_energy": 0.0710443956521702,
"spacegroup": 194
},
{
"id": "oqmd-1215899",
"created_at": "2022-09-04T15:39:08.910130Z",
"updated_at": "2022-09-04T15:39:08.910161Z",
"structure_string": "Re3\n1.0\n4.393764 -0.000000 0.000000\n-2.196882 3.805111 0.000000\n0.000000 0.000000 2.691046\nRe\n3\ndirect\n0.666677 0.666677 0.000000 Re\n0.333322 0.000000 0.333331 Re\n0.000000 0.333325 0.666666 Re\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.61774563980239,
"density_atomic": 0.0666800745620059,
"volume": 44.99095149046805,
"volume_molar": 9.031394760064346,
"formula_full": "Re3",
"formula_reduced": "Re",
"formula_anonymous": "A",
"formation_energy": 0.315763308333301,
"spacegroup": 229
},
{
"id": "oqmd-1215894",
"created_at": "2022-09-04T15:39:30.831505Z",
"updated_at": "2022-09-04T15:39:30.831541Z",
"structure_string": "Pm3\n1.0\n4.126080 0.000000 0.000000\n-2.063040 3.573290 0.000000\n0.000000 0.000000 6.751439\nPm\n3\ndirect\n0.668985 0.668986 0.000000 Pm\n0.331016 0.000000 0.333333 Pm\n0.000000 0.331014 0.666667 Pm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 7.256648684624567,
"density_atomic": 0.03013831713088274,
"volume": 99.54105887770022,
"volume_molar": 19.981675598698615,
"formula_full": "Pm3",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"formation_energy": 0.505707934166669,
"spacegroup": 166
},
{
"id": "oqmd-1215861",
"created_at": "2022-09-04T15:39:08.059904Z",
"updated_at": "2022-09-04T15:39:08.059938Z",
"structure_string": "Fe3\n1.0\n3.898504 0.000001 0.000010\n-1.949251 3.376201 0.000000\n0.000006 0.000003 2.490701\nFe\n3\ndirect\n0.666751 0.666749 0.000000 Fe\n0.333253 0.000000 0.333290 Fe\n0.000000 0.333252 0.666668 Fe\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.486071950743986,
"density_atomic": 0.09151100332084992,
"volume": 32.78294293727275,
"volume_molar": 6.580783229843478,
"formula_full": "Fe3",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"formation_energy": 0.0177943599999999,
"spacegroup": 229
},
{
"id": "oqmd-1215833",
"created_at": "2022-09-04T15:39:06.190306Z",
"updated_at": "2022-09-04T15:39:06.190334Z",
"structure_string": "Y2\n1.0\n1.778749 -3.080883 -0.000000\n-1.778749 -3.080883 -0.000000\n0.000000 2.053921 -5.671709\nY\n2\ndirect\n0.750085 0.750085 0.250258 Y\n0.249913 0.249913 0.749741 Y\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.749803256472651,
"density_atomic": 0.03217334270204898,
"volume": 62.16326411966602,
"volume_molar": 18.717796331484315,
"formula_full": "Y2",
"formula_reduced": "Y",
"formula_anonymous": "A",
"formation_energy": 0.0342175199999994,
"spacegroup": 225
},
{
"id": "oqmd-1215795",
"created_at": "2022-09-04T15:39:05.544644Z",
"updated_at": "2022-09-04T15:39:05.544678Z",
"structure_string": "Nd2\n1.0\n2.099353 -3.636186 0.000000\n-4.198706 0.000000 -0.000000\n2.099353 -1.212062 -4.784491\nNd\n2\ndirect\n0.237073 0.762925 0.288779 Nd\n0.762928 0.237075 0.711221 Nd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.5580319861977765,
"density_atomic": 0.02737995295622181,
"volume": 73.04614449841561,
"volume_molar": 21.994708207237924,
"formula_full": "Nd2",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"formation_energy": 0.573703165,
"spacegroup": 166
},
{
"id": "oqmd-1215571",
"created_at": "2022-09-04T15:39:05.567736Z",
"updated_at": "2022-09-04T15:39:05.567767Z",
"structure_string": "Ag2\n1.0\n0.000000 -0.000000 -2.768803\n2.626652 2.626652 1.384402\n2.626652 -2.626652 -1.384402\nAg\n2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.500000 0.500000 Ag\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.376600153798432,
"density_atomic": 0.05234833435240939,
"volume": 38.205609113290684,
"volume_molar": 11.503977795088764,
"formula_full": "Ag2",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"formation_energy": 0.2437040775,
"spacegroup": 141
},
{
"id": "oqmd-57238",
"created_at": "2022-09-04T15:15:52.098307Z",
"updated_at": "2022-09-04T15:15:52.098331Z",
"structure_string": "H2\n1.0\n1.808093 0.000000 0.000000\n-0.904047 1.901682 0.000000\n0.000000 0.000000 1.796730\nH\n2\ndirect\n0.248349 0.496697 0.250004 H\n0.751647 0.503302 0.750001 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.5418415359884434,
"density_atomic": 0.3237341508884111,
"volume": 6.177908615793166,
"volume_molar": 1.8602117643361602,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 0.9043611,
"spacegroup": 139
},
{
"id": "oqmd-1215956",
"created_at": "2022-09-04T15:39:08.453507Z",
"updated_at": "2022-09-04T15:39:08.453543Z",
"structure_string": "Hf4\n1.0\n4.960550 -0.000000 0.000000\n-2.480276 4.295964 0.000000\n0.000000 0.000000 4.942088\nHf\n4\ndirect\n0.000000 0.000000 0.250002 Hf\n0.333333 0.666665 0.250002 Hf\n0.000000 0.000000 0.750001 Hf\n0.666668 0.333334 0.750001 Hf\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 11.256983751919957,
"density_atomic": 0.03798035784106788,
"volume": 105.31759644651977,
"volume_molar": 15.855934757645445,
"formula_full": "Hf4",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"formation_energy": 1.37633937,
"spacegroup": 194
},
{
"id": "oqmd-107684",
"created_at": "2022-09-04T15:16:15.188627Z",
"updated_at": "2022-09-04T15:16:15.188653Z",
"structure_string": "Ga4\n1.0\n-2.016145 -2.292950 0.000000\n-2.016145 2.292950 0.000000\n0.000000 0.000000 -8.103026\nGa\n4\ndirect\n0.227043 0.772955 0.126052 Ga\n0.727045 0.272953 0.373948 Ga\n0.272953 0.727045 0.626051 Ga\n0.772955 0.227043 0.873949 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.181467331591111,
"density_atomic": 0.05339079842669945,
"volume": 74.91927668943974,
"volume_molar": 11.279360746529823,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"formation_energy": 0.0225417099999996,
"spacegroup": 64
},
{
"id": "oqmd-1522168",
"created_at": "2022-09-04T15:54:10.049037Z",
"updated_at": "2022-09-04T15:54:10.049061Z",
"structure_string": "Pd1\n1.0\n-1.566719 1.566719 1.566719\n1.566719 -1.566719 1.566719\n1.566719 1.566719 -1.566719\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.487857240365413,
"density_atomic": 0.06500798097742277,
"volume": 15.382726627785893,
"volume_molar": 9.263694502512678,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"formation_energy": 0.0405961900000004,
"spacegroup": 229
},
{
"id": "oqmd-1214859",
"created_at": "2022-09-04T15:39:03.363779Z",
"updated_at": "2022-09-04T15:39:03.363810Z",
"structure_string": "Al20\n1.0\n6.981738 0.000000 0.000000\n0.000000 6.981738 0.000000\n0.000000 0.000000 6.981738\nAl\n20\ndirect\n0.053295 0.053295 0.053295 Al\n0.875000 0.695493 0.054506 Al\n0.195493 0.445494 0.125000 Al\n0.445494 0.125000 0.195493 Al\n0.803294 0.303294 0.196706 Al\n0.196706 0.803294 0.303294 Al\n0.554507 0.625001 0.304507 Al\n0.804506 0.945494 0.375000 Al\n0.125000 0.195493 0.445494 Al\n0.946706 0.553293 0.446705 Al\n0.446705 0.946706 0.553293 Al\n0.625001 0.304507 0.554507 Al\n0.304507 0.554507 0.625001 Al\n0.054506 0.875000 0.695493 Al\n0.696706 0.696706 0.696706 Al\n0.303294 0.196706 0.803294 Al\n0.945494 0.375000 0.804506 Al\n0.695493 0.054506 0.875000 Al\n0.375000 0.804506 0.945494 Al\n0.553293 0.446705 0.946706 Al\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6330260917007684,
"density_atomic": 0.058767789300400934,
"volume": 340.3224834231352,
"volume_molar": 10.247349494834435,
"formula_full": "Al20",
"formula_reduced": "Al",
"formula_anonymous": "A",
"formation_energy": 0.0616434164999999,
"spacegroup": 213
}
]
}