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=nelements&page=34",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=nelements&page=32",
"results": [
{
"id": "oqmd-631035",
"created_at": "2022-09-04T15:17:39.359180Z",
"updated_at": "2022-09-04T15:17:39.359206Z",
"structure_string": "Cr28\n1.0\n8.550100 0.000000 0.000000\n0.000000 8.550100 0.000000\n0.000000 0.000000 4.528838\nCr\n28\ndirect\n0.765997 0.039932 0.000000 Cr\n0.471738 0.125635 0.000000 Cr\n0.960068 0.234003 0.000000 Cr\n0.404384 0.404384 0.000000 Cr\n0.125635 0.471738 0.000000 Cr\n0.874365 0.528262 0.000000 Cr\n0.595616 0.595616 0.000000 Cr\n0.039932 0.765997 0.000000 Cr\n0.528262 0.874365 0.000000 Cr\n0.234003 0.960068 0.000000 Cr\n0.702731 0.297269 0.241155 Cr\n0.297269 0.702731 0.241155 Cr\n0.202731 0.202731 0.258846 Cr\n0.797269 0.797269 0.258846 Cr\n0.625635 0.028262 0.500000 Cr\n0.904384 0.095616 0.500000 Cr\n0.460068 0.265997 0.500000 Cr\n0.971738 0.374365 0.500000 Cr\n0.265997 0.460068 0.500000 Cr\n0.734003 0.539932 0.500000 Cr\n0.028262 0.625635 0.500000 Cr\n0.539932 0.734003 0.500000 Cr\n0.095616 0.904384 0.500000 Cr\n0.374365 0.971738 0.500000 Cr\n0.202731 0.202731 0.741155 Cr\n0.797269 0.797269 0.741155 Cr\n0.702731 0.297269 0.758846 Cr\n0.297269 0.702731 0.758846 Cr\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.302115951249267,
"density_atomic": 0.08457243931652757,
"volume": 331.07712425326844,
"volume_molar": 7.120689445247115,
"formula_full": "Cr28",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"formation_energy": 0.23147919214286,
"spacegroup": 136
},
{
"id": "oqmd-631034",
"created_at": "2022-09-04T15:17:39.552467Z",
"updated_at": "2022-09-04T15:17:39.552495Z",
"structure_string": "Co28\n1.0\n8.336860 0.000000 0.000000\n0.000000 8.336860 0.000000\n0.000000 0.000000 4.505502\nCo\n28\ndirect\n0.755072 0.051790 0.000000 Co\n0.475158 0.137659 0.000000 Co\n0.948209 0.244928 0.000000 Co\n0.406033 0.406033 0.000000 Co\n0.137659 0.475158 0.000000 Co\n0.862341 0.524841 0.000000 Co\n0.593967 0.593967 0.000000 Co\n0.051790 0.755072 0.000000 Co\n0.524841 0.862341 0.000000 Co\n0.244928 0.948209 0.000000 Co\n0.690206 0.309794 0.248945 Co\n0.309794 0.690206 0.248945 Co\n0.190206 0.190206 0.251055 Co\n0.809794 0.809794 0.251055 Co\n0.637659 0.024841 0.500000 Co\n0.906033 0.093967 0.500000 Co\n0.448209 0.255072 0.500000 Co\n0.975158 0.362341 0.500000 Co\n0.255072 0.448209 0.500000 Co\n0.744928 0.551790 0.500000 Co\n0.024841 0.637659 0.500000 Co\n0.551790 0.744928 0.500000 Co\n0.093967 0.906033 0.500000 Co\n0.362341 0.975158 0.500000 Co\n0.190206 0.190206 0.748944 Co\n0.809794 0.809794 0.748944 Co\n0.690206 0.309794 0.751055 Co\n0.309794 0.690206 0.751055 Co\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.750218776131844,
"density_atomic": 0.08941488607375041,
"volume": 313.1469627652971,
"volume_molar": 6.73505388692535,
"formula_full": "Co28",
"formula_reduced": "Co",
"formula_anonymous": "A",
"formation_energy": 0.11178200357143,
"spacegroup": 136
},
{
"id": "oqmd-758456",
"created_at": "2022-09-04T15:21:49.613974Z",
"updated_at": "2022-09-04T15:21:49.614004Z",
"structure_string": "Zr2\n1.0\n2.789149 -1.610352 0.000000\n2.789117 1.610297 0.000000\n0.000000 0.000000 5.199670\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333401 0.333301 0.499999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.486341385109031,
"density_atomic": 0.04281950018858944,
"volume": 46.707691383398284,
"volume_molar": 14.06401460427318,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004466650000001,
"spacegroup": 194
},
{
"id": "oqmd-758457",
"created_at": "2022-09-04T15:21:49.707317Z",
"updated_at": "2022-09-04T15:21:49.707348Z",
"structure_string": "Zr2\n1.0\n2.792841 1.612446 0.000000\n-2.792841 1.612446 0.000000\n0.000000 0.000000 5.181818\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333334 0.666668 0.500000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.491494041410198,
"density_atomic": 0.04285351538365242,
"volume": 46.67061691659844,
"volume_molar": 14.05285122138965,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0003246150000002,
"spacegroup": 194
},
{
"id": "oqmd-758462",
"created_at": "2022-09-04T15:21:49.895266Z",
"updated_at": "2022-09-04T15:21:49.895293Z",
"structure_string": "Zr2\n1.0\n2.793936 -1.613080 0.000000\n-0.000000 3.226159 0.000000\n0.000000 0.000000 5.182087\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666669 0.333335 0.499999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.486064800899743,
"density_atomic": 0.04281767432144823,
"volume": 46.70968313190612,
"volume_molar": 14.064614333766814,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0002218999999996,
"spacegroup": 194
},
{
"id": "oqmd-9287",
"created_at": "2022-09-04T14:48:49.181655Z",
"updated_at": "2022-09-04T14:48:49.181671Z",
"structure_string": "Si1\n1.0\n1.932489 -1.932489 0.000000\n-1.932489 0.000000 -1.932489\n1.932489 1.932489 0.000000\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.231098295059497,
"density_atomic": 0.06928176015726484,
"volume": 14.43381342694049,
"volume_molar": 8.692245616061362,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.536881804999999,
"spacegroup": 225
},
{
"id": "oqmd-755851",
"created_at": "2022-09-04T15:21:50.089393Z",
"updated_at": "2022-09-04T15:21:50.089419Z",
"structure_string": "Ti2\n1.0\n0.000000 -2.911183 0.000000\n-2.521161 -1.455591 0.000000\n0.000000 0.000000 -4.646887\nTi\n2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.333335 0.499999 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.661042941563656,
"density_atomic": 0.05864051787703636,
"volume": 34.106110798574655,
"volume_molar": 10.269590000258628,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0137337516666705,
"spacegroup": 194
},
{
"id": "oqmd-755847",
"created_at": "2022-09-04T15:21:50.103460Z",
"updated_at": "2022-09-04T15:21:50.103494Z",
"structure_string": "Ti2\n1.0\n-2.522905 -1.456601 0.000000\n-2.522905 1.456601 0.000000\n0.000000 0.000000 -4.625460\nTi\n2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666666 0.666666 0.500000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.676154761772961,
"density_atomic": 0.0588306394816318,
"volume": 33.99589087629148,
"volume_molar": 10.236402005931353,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.01379016666667,
"spacegroup": 194
},
{
"id": "oqmd-6836",
"created_at": "2022-09-04T14:49:02.366157Z",
"updated_at": "2022-09-04T14:49:02.366183Z",
"structure_string": "O2\n1.0\n1.890300 -1.379721 0.000000\n-1.890300 -1.379721 0.000000\n0.000000 1.379721 -3.508749\nO\n2\ndirect\n0.087464 0.087464 0.174928 O\n0.912536 0.912536 0.825072 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.9032102136075895,
"density_atomic": 0.10927622641009356,
"volume": 18.302242543537037,
"volume_molar": 5.510934041042024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"formation_energy": 0.0956113312499998,
"spacegroup": 69
},
{
"id": "oqmd-755839",
"created_at": "2022-09-04T15:21:50.165064Z",
"updated_at": "2022-09-04T15:21:50.165095Z",
"structure_string": "Ti2\n1.0\n0.000040 -2.910436 0.000000\n-2.520452 -1.455183 0.000000\n0.000000 0.000000 -4.645551\nTi\n2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333395 0.333303 0.500001 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.664854900293207,
"density_atomic": 0.058688476077986086,
"volume": 34.078240459717705,
"volume_molar": 10.261198045077355,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.01385732166667,
"spacegroup": 194
},
{
"id": "oqmd-755840",
"created_at": "2022-09-04T15:21:50.437166Z",
"updated_at": "2022-09-04T15:21:50.437186Z",
"structure_string": "Ti2\n1.0\n2.522636 1.456447 0.000000\n-2.522636 1.456447 0.000000\n0.000000 0.000000 4.630700\nTi\n2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333334 0.666668 0.500000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.671855335931219,
"density_atomic": 0.05877654846357113,
"volume": 34.02717669343193,
"volume_molar": 10.245822385661922,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"formation_energy": 0.0137539366666699,
"spacegroup": 194
},
{
"id": "oqmd-1214982",
"created_at": "2022-09-04T15:39:04.130354Z",
"updated_at": "2022-09-04T15:39:04.130385Z",
"structure_string": "K8\n1.0\n8.312130 0.000000 0.000000\n0.000000 8.312130 0.000000\n0.000000 0.000000 8.312130\nK\n8\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.250000 0.000000 K\n0.500001 0.750000 0.000000 K\n0.000000 0.500001 0.250000 K\n0.250000 0.000000 0.500001 K\n0.750000 0.000000 0.500001 K\n0.500001 0.500001 0.500001 K\n0.000000 0.500001 0.750000 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.904398802097566,
"density_atomic": 0.01393006061974329,
"volume": 574.2975725935805,
"volume_molar": 43.23126025356075,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"formation_energy": 0.01238158,
"spacegroup": 223
}
]
}