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=99",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=97",
"results": [
{
"id": "oqmd-1214538",
"created_at": "2022-09-04T15:39:03.236845Z",
"updated_at": "2022-09-04T15:39:03.236865Z",
"structure_string": "Kr1\n1.0\n0.000000 2.747131 -2.747131\n2.747131 0.000000 2.747131\n0.000000 -2.747131 -2.747131\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 3.355943543048956,
"density_atomic": 0.024117478228404092,
"volume": 41.4637048919261,
"volume_molar": 24.97002672902796,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"formation_energy": 0.014821675,
"spacegroup": 225
},
{
"id": "oqmd-18984",
"created_at": "2022-09-04T14:48:49.351295Z",
"updated_at": "2022-09-04T14:48:49.351321Z",
"structure_string": "Si1\n1.0\n2.650491 0.000000 0.000000\n-1.325245 2.295392 0.000000\n0.000000 0.000000 2.474158\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0982797573742524,
"density_atomic": 0.06643384244259244,
"volume": 15.05256904060805,
"volume_molar": 9.064868956215983,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"formation_energy": 0.307862904999999,
"spacegroup": 191
},
{
"id": "oqmd-1215584",
"created_at": "2022-09-04T15:39:06.091735Z",
"updated_at": "2022-09-04T15:39:06.091765Z",
"structure_string": "Ce2\n1.0\n0.000000 0.000000 -3.643379\n3.175123 3.175123 1.821689\n3.175123 -3.175123 -1.821689\nCe\n2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.500000 0.500000 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 6.334485837438318,
"density_atomic": 0.02722541706048051,
"volume": 73.46076629632726,
"volume_molar": 22.119553748697335,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"formation_energy": 0.344843272499999,
"spacegroup": 141
},
{
"id": "oqmd-676673",
"created_at": "2022-09-04T15:39:28.659453Z",
"updated_at": "2022-09-04T15:39:28.659472Z",
"structure_string": "Cs2\n1.0\n5.457696 0.000000 0.000000\n-2.728849 4.726250 0.000000\n0.000000 0.000000 8.874749\nCs\n2\ndirect\n0.333316 0.666632 0.250000 Cs\n0.666684 0.333370 0.750001 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9281453925283125,
"density_atomic": 0.008736709290376114,
"volume": 228.9191426116343,
"volume_molar": 68.92916497328879,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"formation_energy": 0.0002760849999999,
"spacegroup": 194
},
{
"id": "oqmd-1215152",
"created_at": "2022-09-04T15:39:06.548518Z",
"updated_at": "2022-09-04T15:39:06.548548Z",
"structure_string": "H1\n1.0\n0.880228 0.880228 0.880228\n0.880228 -0.880228 -0.880228\n-0.880228 0.880228 -0.880228\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.6135334543458177,
"density_atomic": 0.36656793304327506,
"volume": 2.7280073073984497,
"volume_molar": 1.6428443999462055,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"formation_energy": 1.19805587,
"spacegroup": 229
},
{
"id": "oqmd-1215367",
"created_at": "2022-09-04T15:39:06.545018Z",
"updated_at": "2022-09-04T15:39:06.545045Z",
"structure_string": "S2\n1.0\n3.331326 -0.000000 0.000000\n-1.665663 2.885013 0.000000\n0.000000 0.000000 3.490127\nS\n2\ndirect\n0.333333 0.666666 0.250000 S\n0.666669 0.333333 0.749999 S\n",
"nsites": 2,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.1747110094142643,
"density_atomic": 0.05962437728869906,
"volume": 33.543327258850404,
"volume_molar": 10.100131915577105,
"formula_full": "S2",
"formula_reduced": "S",
"formula_anonymous": "A",
"formation_energy": 0.8373377625,
"spacegroup": 194
},
{
"id": "oqmd-1215778",
"created_at": "2022-09-04T15:39:06.508763Z",
"updated_at": "2022-09-04T15:39:06.508787Z",
"structure_string": "Hf2\n1.0\n1.587805 -2.750159 0.000000\n-1.587805 -2.750159 0.000000\n0.000000 1.833439 -5.037905\nHf\n2\ndirect\n0.750043 0.750043 0.250128 Hf\n0.249958 0.249958 0.749873 Hf\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.472805646210068,
"density_atomic": 0.04545640207386316,
"volume": 43.998202865905526,
"volume_molar": 13.248168542275923,
"formula_full": "Hf2",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"formation_energy": 0.0798625199999989,
"spacegroup": 225
},
{
"id": "oqmd-1214806",
"created_at": "2022-09-04T15:39:03.216906Z",
"updated_at": "2022-09-04T15:39:03.216929Z",
"structure_string": "La29\n1.0\n6.385132 6.385132 -6.385132\n6.385132 -6.385132 6.385132\n-6.385132 -6.385132 -6.385132\nLa\n29\ndirect\n0.000000 0.000000 0.000000 La\n0.363308 0.000000 0.000000 La\n0.591184 0.321539 0.000000 La\n0.000000 0.363308 0.000000 La\n0.321539 0.591184 0.000000 La\n0.813636 0.626879 0.000000 La\n0.626879 0.813636 0.000000 La\n0.813242 0.186363 0.186363 La\n0.186363 0.813242 0.186363 La\n0.373121 0.373121 0.186757 La\n0.678460 0.678460 0.269645 La\n0.591184 0.000000 0.321539 La\n0.000000 0.591184 0.321539 La\n0.000000 0.000000 0.363308 La\n0.373121 0.186757 0.373121 La\n0.186757 0.373121 0.373121 La\n0.730356 0.408816 0.408816 La\n0.408816 0.730356 0.408816 La\n0.321539 0.000000 0.591184 La\n0.000000 0.321539 0.591184 La\n0.813636 0.000000 0.626879 La\n0.000000 0.813636 0.626879 La\n0.636692 0.636692 0.636692 La\n0.678460 0.269645 0.678460 La\n0.269645 0.678460 0.678460 La\n0.408816 0.408816 0.730356 La\n0.186363 0.186363 0.813242 La\n0.626879 0.000000 0.813636 La\n0.000000 0.626879 0.813636 La\n",
"nsites": 29,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.423871023124781,
"density_atomic": 0.027850203119223104,
"volume": 1041.285044703436,
"volume_molar": 21.623327967196495,
"formula_full": "La29",
"formula_reduced": "La",
"formula_anonymous": "A",
"formation_energy": 0.11230081724138,
"spacegroup": 217
},
{
"id": "oqmd-1214680",
"created_at": "2022-09-04T15:39:03.199487Z",
"updated_at": "2022-09-04T15:39:03.199523Z",
"structure_string": "Ag4\n1.0\n-2.081584 -4.396170 0.000000\n-2.081584 4.396170 0.000000\n0.000000 0.000000 -4.162948\nAg\n4\ndirect\n0.853635 0.146363 0.002674 Ag\n0.353635 0.646363 0.497328 Ag\n0.646363 0.353635 0.502673 Ag\n0.146363 0.853635 0.997326 Ag\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.403794272240646,
"density_atomic": 0.052500155564925884,
"volume": 76.19025042798741,
"volume_molar": 11.47071031542476,
"formula_full": "Ag4",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"formation_energy": 0.286763045,
"spacegroup": 139
},
{
"id": "oqmd-1214925",
"created_at": "2022-09-04T15:39:03.471692Z",
"updated_at": "2022-09-04T15:39:03.471725Z",
"structure_string": "Se20\n1.0\n8.407770 0.000000 0.000000\n0.000000 8.407770 0.000000\n0.000000 0.000000 8.407770\nSe\n20\ndirect\n0.875000 0.744229 0.005771 Se\n0.946283 0.446284 0.053717 Se\n0.244230 0.494229 0.125000 Se\n0.196284 0.196284 0.196284 Se\n0.494229 0.125000 0.244230 Se\n0.505770 0.625000 0.255771 Se\n0.803717 0.696283 0.303717 Se\n0.755771 0.994229 0.375001 Se\n0.053717 0.946283 0.446284 Se\n0.125000 0.244230 0.494229 Se\n0.625000 0.255771 0.505770 Se\n0.553716 0.553716 0.553716 Se\n0.255771 0.505770 0.625000 Se\n0.303717 0.803717 0.696283 Se\n0.005771 0.875000 0.744229 Se\n0.994229 0.375001 0.755771 Se\n0.696283 0.303717 0.803717 Se\n0.744229 0.005771 0.875000 Se\n0.446284 0.053717 0.946283 Se\n0.375001 0.755771 0.994229 Se\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.412083921249815,
"density_atomic": 0.03365019051150106,
"volume": 594.3502754661773,
"volume_molar": 17.896305098010473,
"formula_full": "Se20",
"formula_reduced": "Se",
"formula_anonymous": "A",
"formation_energy": 0.3118425225,
"spacegroup": 213
},
{
"id": "oqmd-1215525",
"created_at": "2022-09-04T15:39:04.800565Z",
"updated_at": "2022-09-04T15:39:04.800591Z",
"structure_string": "N2\n1.0\n0.000000 2.072538 -2.072538\n2.072538 0.000000 2.072538\n0.000000 -2.072538 -2.072538\nN\n2\ndirect\n0.000000 0.000000 0.000000 N\n0.250000 0.500001 0.750001 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 2.6126270443474784,
"density_atomic": 0.11232915547474048,
"volume": 17.804816492631257,
"volume_molar": 5.361155556229747,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"formation_energy": 3.0379610725,
"spacegroup": 227
},
{
"id": "oqmd-1214839",
"created_at": "2022-09-04T15:39:04.793531Z",
"updated_at": "2022-09-04T15:39:04.793563Z",
"structure_string": "Sn29\n1.0\n5.890072 5.890072 -5.890072\n5.890072 -5.890072 5.890072\n-5.890072 -5.890072 -5.890072\nSn\n29\ndirect\n0.000000 0.000000 0.000000 Sn\n0.313147 0.000000 0.000000 Sn\n0.580231 0.303647 0.000000 Sn\n0.000000 0.313147 0.000000 Sn\n0.303647 0.580231 0.000000 Sn\n0.803141 0.611869 0.000000 Sn\n0.611869 0.803141 0.000000 Sn\n0.388132 0.388132 0.191273 Sn\n0.808729 0.196859 0.196859 Sn\n0.196859 0.808729 0.196859 Sn\n0.696353 0.696353 0.276584 Sn\n0.580231 0.000000 0.303647 Sn\n0.000000 0.580231 0.303647 Sn\n0.000000 0.000000 0.313147 Sn\n0.388132 0.191273 0.388132 Sn\n0.191273 0.388132 0.388132 Sn\n0.723416 0.419769 0.419769 Sn\n0.419769 0.723416 0.419769 Sn\n0.303647 0.000000 0.580231 Sn\n0.000000 0.303647 0.580231 Sn\n0.803141 0.000000 0.611869 Sn\n0.000000 0.803141 0.611869 Sn\n0.686854 0.686854 0.686854 Sn\n0.696353 0.276584 0.696353 Sn\n0.276584 0.696353 0.696353 Sn\n0.419769 0.419769 0.723416 Sn\n0.611869 0.000000 0.803141 Sn\n0.000000 0.611869 0.803141 Sn\n0.196859 0.196859 0.808729 Sn\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.993790167525702,
"density_atomic": 0.03547939419534892,
"volume": 817.3758503408066,
"volume_molar": 16.973629050265625,
"formula_full": "Sn29",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"formation_energy": 0.08707010034483,
"spacegroup": 217
}
]
}