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=elements&page=15",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=13",
"results": [
{
"id": "oqmd-1520092",
"created_at": "2022-09-04T15:54:27.589016Z",
"updated_at": "2022-09-04T15:54:27.589050Z",
"structure_string": "Au10\n1.0\n7.216383 0.000000 0.000000\n0.000000 7.216383 0.000000\n0.000000 0.000000 3.674125\nAu\n10\ndirect\n0.000000 0.000000 0.000000 Au\n0.639737 0.139737 0.000000 Au\n0.139737 0.360263 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.860263 0.639737 0.000000 Au\n0.360263 0.860263 0.000000 Au\n0.340477 0.159523 0.500000 Au\n0.840477 0.340477 0.500000 Au\n0.159523 0.659523 0.500000 Au\n0.659523 0.840477 0.500000 Au\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 17.094190528617705,
"density_atomic": 0.05226451478533383,
"volume": 191.33440807922975,
"volume_molar": 11.522427376844028,
"formula_full": "Au10",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.1161850600000002,
"spacegroup": 127
},
{
"id": "oqmd-1214862",
"created_at": "2022-09-04T15:39:05.729923Z",
"updated_at": "2022-09-04T15:39:05.729954Z",
"structure_string": "Au20\n1.0\n7.132150 0.000000 0.000000\n0.000000 7.132150 0.000000\n0.000000 0.000000 7.132150\nAu\n20\ndirect\n0.051003 0.051003 0.051003 Au\n0.875000 0.695043 0.054958 Au\n0.195042 0.445043 0.125000 Au\n0.445043 0.125000 0.195042 Au\n0.801002 0.301003 0.198997 Au\n0.198997 0.801002 0.301003 Au\n0.554957 0.624999 0.304959 Au\n0.804958 0.945042 0.375001 Au\n0.125000 0.195042 0.445043 Au\n0.948997 0.551004 0.448996 Au\n0.448996 0.948997 0.551004 Au\n0.624999 0.304959 0.554957 Au\n0.304959 0.554957 0.624999 Au\n0.054958 0.875000 0.695043 Au\n0.698997 0.698997 0.698997 Au\n0.301003 0.198997 0.801002 Au\n0.945042 0.375001 0.804958 Au\n0.695043 0.054958 0.875000 Au\n0.375001 0.804958 0.945042 Au\n0.551004 0.448996 0.948997 Au\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.03060119317051,
"density_atomic": 0.05512753710515244,
"volume": 362.79509389021337,
"volume_molar": 10.924015612221405,
"formula_full": "Au20",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.0657765685,
"spacegroup": 213
},
{
"id": "oqmd-1215664",
"created_at": "2022-09-04T15:39:05.820731Z",
"updated_at": "2022-09-04T15:39:05.820757Z",
"structure_string": "Au1\n1.0\n0.000000 -2.883144 0.000000\n-2.883144 0.000000 0.000000\n1.441572 1.441572 -2.132860\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.44788573402479,
"density_atomic": 0.056403360842969014,
"volume": 17.729439966956427,
"volume_molar": 10.676918307698134,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"formation_energy": 0.0020914699999998,
"spacegroup": 225
},
{
"id": "oqmd-1215041",
"created_at": "2022-09-04T15:39:06.321223Z",
"updated_at": "2022-09-04T15:39:06.321244Z",
"structure_string": "B4\n1.0\n0.000000 0.000000 1.850474\n3.197094 0.000000 0.000000\n1.598547 4.821171 0.000000\nB\n4\ndirect\n0.999703 0.407357 0.185287 B\n0.500293 0.907355 0.185287 B\n0.499704 0.092645 0.814713 B\n0.000297 0.592642 0.814713 B\n",
"nsites": 4,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.5175843353332823,
"density_atomic": 0.1402390828580841,
"volume": 28.522719333866632,
"volume_molar": 4.294195767162958,
"formula_full": "B4",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 0.88328574,
"spacegroup": 69
},
{
"id": "oqmd-620379",
"created_at": "2022-09-04T15:15:51.438563Z",
"updated_at": "2022-09-04T15:15:51.438591Z",
"structure_string": "B12\n1.0\n2.444654 4.234265 0.000000\n-4.889307 0.000000 0.000000\n-2.444654 1.411422 4.171019\nB\n12\ndirect\n0.778464 0.148370 0.073164 B\n0.369905 0.148370 0.073164 B\n0.778464 0.556931 0.073164 B\n0.010407 0.020812 0.325419 B\n0.653768 0.664174 0.325419 B\n0.010407 0.664175 0.325419 B\n0.346230 0.335824 0.674581 B\n0.989594 0.335824 0.674581 B\n0.989594 0.979187 0.674581 B\n0.221534 0.443069 0.926836 B\n0.221534 0.851630 0.926836 B\n0.630096 0.851631 0.926836 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.494759588445257,
"density_atomic": 0.13896765710081316,
"volume": 86.35102764447328,
"volume_molar": 4.3334836937139105,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 0.0,
"spacegroup": 166
},
{
"id": "oqmd-595869",
"created_at": "2022-09-04T15:15:50.268297Z",
"updated_at": "2022-09-04T15:15:50.268329Z",
"structure_string": "B12\n1.0\n-2.443448 4.232177 0.000000\n4.886896 0.000000 0.000000\n2.443448 -1.410725 -4.170158\nB\n12\ndirect\n0.221278 0.369738 0.072820 B\n0.630262 0.778721 0.072820 B\n0.221278 0.778721 0.072820 B\n0.346182 0.010337 0.325508 B\n0.989664 0.010338 0.325508 B\n0.989664 0.653818 0.325508 B\n0.010336 0.346180 0.674492 B\n0.010336 0.989663 0.674492 B\n0.653818 0.989664 0.674492 B\n0.778721 0.221279 0.927181 B\n0.369738 0.221279 0.927181 B\n0.778721 0.630263 0.927181 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.4977374270180994,
"density_atomic": 0.13913353410620036,
"volume": 86.24807870430735,
"volume_molar": 4.328317251974144,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 9.23899999998312e-05,
"spacegroup": 166
},
{
"id": "oqmd-1215843",
"created_at": "2022-09-04T15:39:05.634488Z",
"updated_at": "2022-09-04T15:39:05.634517Z",
"structure_string": "B3\n1.0\n2.631425 0.000000 0.000000\n-1.315712 2.278881 0.000000\n0.000000 0.000000 3.320107\nB\n3\ndirect\n0.668156 0.668157 0.000000 B\n0.331847 0.000000 0.333333 B\n0.000000 0.331843 0.666668 B\n",
"nsites": 3,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.705026320743253,
"density_atomic": 0.1506803188294355,
"volume": 19.909700372985593,
"volume_molar": 3.9966339378514584,
"formula_full": "B3",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 1.09231050666667,
"spacegroup": 221
},
{
"id": "oqmd-613825",
"created_at": "2022-09-04T15:15:51.216863Z",
"updated_at": "2022-09-04T15:15:51.216891Z",
"structure_string": "B12\n1.0\n-2.444110 -4.233322 0.000000\n-2.444110 4.233322 0.000000\n2.444110 -1.411107 -4.170556\nB\n12\ndirect\n0.221239 0.442477 0.072818 B\n0.630339 0.851577 0.072818 B\n0.221239 0.851579 0.072818 B\n0.989701 0.335907 0.325609 B\n0.346207 0.335908 0.325609 B\n0.989701 0.979402 0.325609 B\n0.010300 0.020599 0.674392 B\n0.653793 0.664093 0.674392 B\n0.010299 0.664093 0.674392 B\n0.369660 0.148421 0.927183 B\n0.778761 0.148423 0.927183 B\n0.778762 0.557523 0.927183 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.496147281414434,
"density_atomic": 0.13904495691021962,
"volume": 86.30302217827517,
"volume_molar": 4.331074563091458,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 5.22799999993495e-05,
"spacegroup": 166
},
{
"id": "oqmd-1215754",
"created_at": "2022-09-04T15:39:05.984852Z",
"updated_at": "2022-09-04T15:39:05.984881Z",
"structure_string": "B2\n1.0\n1.319903 -2.286139 -0.000000\n-2.639806 0.000000 0.000000\n1.319903 -0.762046 -2.197709\nB\n2\ndirect\n0.249995 0.750006 0.250019 B\n0.750008 0.249993 0.749977 B\n",
"nsites": 2,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.707074012127308,
"density_atomic": 0.15079438307651793,
"volume": 13.263093486613062,
"volume_molar": 3.993610794471152,
"formula_full": "B2",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 1.093261685,
"spacegroup": 221
},
{
"id": "oqmd-630765",
"created_at": "2022-09-04T15:17:39.162951Z",
"updated_at": "2022-09-04T15:17:39.162966Z",
"structure_string": "B28\n1.0\n5.029564 0.000000 0.000000\n0.000000 5.596832 0.000000\n0.000000 0.000000 6.900807\nB\n28\ndirect\n0.329647 0.021353 0.000000 B\n0.852090 0.228240 0.000000 B\n0.664334 0.491630 0.000000 B\n0.335665 0.508370 0.000000 B\n0.147909 0.771760 0.000000 B\n0.670352 0.978646 0.000000 B\n0.160785 0.281261 0.125849 B\n0.839214 0.718739 0.125849 B\n0.847286 0.407239 0.209491 B\n0.152713 0.592762 0.209491 B\n0.347287 0.092761 0.290509 B\n0.652713 0.907238 0.290509 B\n0.660785 0.218738 0.374150 B\n0.339214 0.781262 0.374150 B\n0.164334 0.008369 0.499999 B\n0.352090 0.271761 0.499999 B\n0.829649 0.478646 0.499999 B\n0.170353 0.521354 0.499999 B\n0.647909 0.728239 0.499999 B\n0.835665 0.991631 0.499999 B\n0.660785 0.218738 0.625850 B\n0.339214 0.781262 0.625850 B\n0.347287 0.092761 0.709491 B\n0.652713 0.907238 0.709491 B\n0.847286 0.407239 0.790509 B\n0.152713 0.592762 0.790509 B\n0.160785 0.281261 0.874150 B\n0.839214 0.718739 0.874150 B\n",
"nsites": 28,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.587620035261403,
"density_atomic": 0.1441403393869715,
"volume": 194.2551274617774,
"volume_molar": 4.177970431880589,
"formula_full": "B28",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 0.0272261992857095,
"spacegroup": 58
},
{
"id": "oqmd-1215665",
"created_at": "2022-09-04T15:39:05.358718Z",
"updated_at": "2022-09-04T15:39:05.358749Z",
"structure_string": "B1\n1.0\n0.000000 -2.004372 0.000000\n-2.004372 0.000000 0.000000\n1.002186 1.002186 -1.453652\nB\n1\ndirect\n0.000000 0.000000 0.000000 B\n",
"nsites": 1,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 3.0739575101530097,
"density_atomic": 0.17123119806491388,
"volume": 5.84005725183853,
"volume_molar": 3.51696468170304,
"formula_full": "B1",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 1.35314628,
"spacegroup": 225
},
{
"id": "oqmd-636882",
"created_at": "2022-09-04T15:15:51.601519Z",
"updated_at": "2022-09-04T15:15:51.601535Z",
"structure_string": "B12\n1.0\n-4.887199 0.000000 0.000000\n2.443599 -4.232439 0.000000\n-2.443599 1.410813 4.170215\nB\n12\ndirect\n0.369783 0.221295 0.072807 B\n0.778705 0.221295 0.072807 B\n0.778705 0.630217 0.072807 B\n0.010349 0.346207 0.325508 B\n0.010348 0.989650 0.325508 B\n0.653793 0.989650 0.325508 B\n0.346207 0.010349 0.674490 B\n0.989651 0.010349 0.674490 B\n0.989652 0.653793 0.674490 B\n0.221295 0.369784 0.927194 B\n0.221296 0.778707 0.927194 B\n0.630217 0.778707 0.927194 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.497393827334641,
"density_atomic": 0.13911439428879593,
"volume": 86.25994499956977,
"volume_molar": 4.328912756143894,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"formation_energy": 7.84958333301944e-05,
"spacegroup": 166
}
]
}