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=-chemical_system&page=5",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=3",
"results": [
{
"id": "oqmd-1215658",
"created_at": "2022-09-04T15:39:07.915963Z",
"updated_at": "2022-09-04T15:39:07.915990Z",
"structure_string": "Zr2\n1.0\n0.000000 0.000000 -3.046436\n2.780605 2.780605 1.523218\n2.780605 -2.780605 -1.523218\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.499999 0.499999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.431133889339072,
"density_atomic": 0.04245504860715397,
"volume": 47.10864939777707,
"volume_molar": 14.184745884345137,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.48382258,
"spacegroup": 141
},
{
"id": "oqmd-758472",
"created_at": "2022-09-04T15:24:22.357889Z",
"updated_at": "2022-09-04T15:24:22.357909Z",
"structure_string": "Zr12\n1.0\n16.768966 0.000000 0.000000\n0.000000 3.229646 0.000000\n0.000000 0.000000 5.177589\nZr\n12\ndirect\n0.333322 0.000000 0.000000 Zr\n0.667206 0.000000 0.000000 Zr\n0.999193 0.000000 0.000000 Zr\n0.165986 0.500002 0.000000 Zr\n0.500450 0.500002 0.000000 Zr\n0.833264 0.500002 0.000000 Zr\n0.111176 0.000000 0.499999 Zr\n0.443990 0.000000 0.499999 Zr\n0.778454 0.000000 0.499999 Zr\n0.277234 0.500002 0.499999 Zr\n0.611118 0.500002 0.499999 Zr\n0.945243 0.500002 0.499999 Zr\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.482621654717063,
"density_atomic": 0.04279494443569828,
"volume": 280.40695363048434,
"volume_molar": 14.072084540379748,
"formula_full": "Zr12",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004602316666701,
"spacegroup": 194
},
{
"id": "oqmd-1214945",
"created_at": "2022-09-04T15:39:03.076217Z",
"updated_at": "2022-09-04T15:39:03.076243Z",
"structure_string": "Zr20\n1.0\n7.759045 0.000000 0.000000\n0.000000 7.759045 0.000000\n0.000000 0.000000 7.759045\nZr\n20\ndirect\n0.874999 0.708096 0.041905 Zr\n0.078032 0.078032 0.078032 Zr\n0.208095 0.458095 0.125000 Zr\n0.828032 0.328031 0.171968 Zr\n0.458095 0.125000 0.208095 Zr\n0.541904 0.625000 0.291904 Zr\n0.171968 0.828032 0.328031 Zr\n0.791904 0.958096 0.375000 Zr\n0.921968 0.578032 0.421968 Zr\n0.125000 0.208095 0.458095 Zr\n0.625000 0.291904 0.541904 Zr\n0.421968 0.921968 0.578032 Zr\n0.291904 0.541904 0.625000 Zr\n0.671968 0.671968 0.671968 Zr\n0.041905 0.874999 0.708096 Zr\n0.958096 0.375000 0.791904 Zr\n0.328031 0.171968 0.828032 Zr\n0.708096 0.041905 0.874999 Zr\n0.578032 0.421968 0.921968 Zr\n0.375000 0.791904 0.958096 Zr\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.485797612440254,
"density_atomic": 0.042815910480229855,
"volume": 467.11607380707113,
"volume_molar": 14.065193738623657,
"formula_full": "Zr20",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0907968140000008,
"spacegroup": 213
},
{
"id": "oqmd-758458",
"created_at": "2022-09-04T15:22:03.584507Z",
"updated_at": "2022-09-04T15:22:03.584537Z",
"structure_string": "Zr8\n1.0\n11.165769 0.000000 0.000000\n0.000000 3.223729 0.000000\n0.000000 0.000000 5.183515\nZr\n8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499967 0.000000 0.000000 Zr\n0.249968 0.499999 0.000000 Zr\n0.749959 0.499999 0.000000 Zr\n0.166443 0.000000 0.499999 Zr\n0.666718 0.000000 0.499999 Zr\n0.416831 0.499999 0.499999 Zr\n0.916945 0.499999 0.499999 Zr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.494962848669631,
"density_atomic": 0.04287641467067429,
"volume": 186.58276494073726,
"volume_molar": 14.045345923288911,
"formula_full": "Zr8",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0005001950000007,
"spacegroup": 194
},
{
"id": "oqmd-1215569",
"created_at": "2022-09-04T15:39:07.690004Z",
"updated_at": "2022-09-04T15:39:07.690037Z",
"structure_string": "Zr2\n1.0\n0.000000 3.128978 -3.128978\n3.128978 0.000000 3.128978\n0.000000 -3.128978 -3.128978\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.249999 0.499997 0.749996 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 4.944822195154742,
"density_atomic": 0.032643180854473416,
"volume": 61.26853902247459,
"volume_molar": 18.44838830764474,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 2.409630745,
"spacegroup": 227
},
{
"id": "oqmd-758454",
"created_at": "2022-09-04T15:22:27.778154Z",
"updated_at": "2022-09-04T15:22:27.778188Z",
"structure_string": "Zr10\n1.0\n2.792984 4.837586 0.000000\n-5.585094 6.449611 0.000000\n0.000000 0.000000 5.187027\nZr\n10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.399951 0.200005 0.000000 Zr\n0.799949 0.399996 0.000000 Zr\n0.199931 0.600005 0.000000 Zr\n0.599953 0.799993 0.000000 Zr\n0.666704 0.000000 0.499999 Zr\n0.066700 0.200000 0.499999 Zr\n0.466697 0.400003 0.499999 Zr\n0.866689 0.599999 0.499999 Zr\n0.266689 0.799999 0.499999 Zr\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.485121953735943,
"density_atomic": 0.042811450127883455,
"volume": 233.58237037354914,
"volume_molar": 14.066659134439668,
"formula_full": "Zr10",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0005018100000011,
"spacegroup": 194
},
{
"id": "oqmd-1214856",
"created_at": "2022-09-04T15:39:03.356635Z",
"updated_at": "2022-09-04T15:39:03.356663Z",
"structure_string": "Zr29\n1.0\n5.487736 5.487736 5.487736\n5.487736 -5.487736 -5.487736\n-5.487736 5.487736 -5.487736\nZr\n29\ndirect\n0.000000 0.000000 0.000000 Zr\n0.622916 0.000000 0.000000 Zr\n0.365169 0.187737 0.000000 Zr\n0.187737 0.365169 0.000000 Zr\n0.672715 0.388871 0.000000 Zr\n0.000000 0.622916 0.000000 Zr\n0.388871 0.672715 0.000000 Zr\n0.812263 0.812263 0.177432 Zr\n0.365169 0.000000 0.187737 Zr\n0.000000 0.365169 0.187737 Zr\n0.611129 0.611129 0.283844 Zr\n0.716155 0.327284 0.327284 Zr\n0.327284 0.716155 0.327284 Zr\n0.187737 0.000000 0.365169 Zr\n0.000000 0.187737 0.365169 Zr\n0.377083 0.377083 0.377083 Zr\n0.672715 0.000000 0.388871 Zr\n0.000000 0.672715 0.388871 Zr\n0.611129 0.283844 0.611129 Zr\n0.283844 0.611129 0.611129 Zr\n0.000000 0.000000 0.622916 Zr\n0.822569 0.634831 0.634831 Zr\n0.634831 0.822569 0.634831 Zr\n0.388871 0.000000 0.672715 Zr\n0.000000 0.388871 0.672715 Zr\n0.327284 0.327284 0.716155 Zr\n0.812263 0.177432 0.812263 Zr\n0.177432 0.812263 0.812263 Zr\n0.634831 0.634831 0.822569 Zr\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.6453304819665915,
"density_atomic": 0.043869064690159616,
"volume": 661.0580873976342,
"volume_molar": 13.727533975327361,
"formula_full": "Zr29",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.133859730000001,
"spacegroup": 217
},
{
"id": "oqmd-1280431",
"created_at": "2022-09-04T15:42:18.131346Z",
"updated_at": "2022-09-04T15:42:18.131363Z",
"structure_string": "Zr8\n1.0\n4.035135 2.329686 3.294674\n-4.035135 2.329686 3.294674\n0.000000 -4.659372 3.294674\nZr\n8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.250001 0.000000 Zr\n0.499999 0.750000 0.000000 Zr\n0.000000 0.499999 0.250001 Zr\n0.250001 0.000000 0.499999 Zr\n0.750000 0.000000 0.499999 Zr\n0.499999 0.499999 0.499999 Zr\n0.000000 0.499999 0.750000 Zr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.521222792006202,
"density_atomic": 0.04304976935275039,
"volume": 185.8314253544053,
"volume_molar": 13.98878751394577,
"formula_full": "Zr8",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.13639125125,
"spacegroup": 223
},
{
"id": "oqmd-1277957",
"created_at": "2022-09-04T15:42:08.087635Z",
"updated_at": "2022-09-04T15:42:08.087665Z",
"structure_string": "Zr28\n1.0\n6.889807 -6.889807 0.000000\n6.889807 6.889807 0.000000\n-6.889807 0.000000 6.889807\nZr\n28\ndirect\n0.000000 0.000000 0.000000 Zr\n0.707546 0.062746 0.000000 Zr\n0.437253 0.207545 0.000000 Zr\n0.937254 0.292454 0.000000 Zr\n0.207545 0.437253 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.792454 0.562746 0.000000 Zr\n0.062746 0.707546 0.000000 Zr\n0.562746 0.792454 0.000000 Zr\n0.292454 0.937254 0.000000 Zr\n0.292454 0.292454 0.229708 Zr\n0.792455 0.437254 0.229708 Zr\n0.437254 0.792455 0.229708 Zr\n0.937254 0.937254 0.229708 Zr\n0.292453 0.062746 0.355200 Zr\n0.062746 0.292453 0.355200 Zr\n0.562746 0.562746 0.355200 Zr\n0.792454 0.792454 0.355200 Zr\n0.750000 0.249999 0.500000 Zr\n0.249999 0.750000 0.500000 Zr\n0.207545 0.207545 0.644799 Zr\n0.437254 0.437254 0.644799 Zr\n0.937253 0.707546 0.644799 Zr\n0.707546 0.937253 0.644799 Zr\n0.062747 0.062747 0.770293 Zr\n0.562746 0.207545 0.770293 Zr\n0.207545 0.562746 0.770293 Zr\n0.707546 0.707546 0.770293 Zr\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.4843294967099165,
"density_atomic": 0.04280621873290117,
"volume": 654.1105668480593,
"volume_molar": 14.068378236294295,
"formula_full": "Zr28",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.438527665000001,
"spacegroup": 226
},
{
"id": "oqmd-758450",
"created_at": "2022-09-04T15:21:52.068255Z",
"updated_at": "2022-09-04T15:21:52.068278Z",
"structure_string": "Zr4\n1.0\n0.000000 -3.224994 0.000000\n-5.585675 0.000000 0.000000\n0.000000 0.000000 -5.186466\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499998 0.500024 0.000000 Zr\n0.499998 0.166648 0.499999 Zr\n0.000000 0.666646 0.499999 Zr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.485479502041758,
"density_atomic": 0.042813810478478535,
"volume": 93.42779713594292,
"volume_molar": 14.065883631234328,
"formula_full": "Zr4",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004245874999995,
"spacegroup": 194
},
{
"id": "oqmd-758461",
"created_at": "2022-09-04T15:24:22.264181Z",
"updated_at": "2022-09-04T15:24:22.264214Z",
"structure_string": "Zr12\n1.0\n16.768966 0.000000 0.000000\n0.000000 3.229646 0.000000\n0.000000 0.000000 5.177589\nZr\n12\ndirect\n0.333322 0.000000 0.000000 Zr\n0.667206 0.000000 0.000000 Zr\n0.999193 0.000000 0.000000 Zr\n0.165986 0.500002 0.000000 Zr\n0.500450 0.500002 0.000000 Zr\n0.833264 0.500002 0.000000 Zr\n0.111176 0.000000 0.499999 Zr\n0.443990 0.000000 0.499999 Zr\n0.778454 0.000000 0.499999 Zr\n0.277234 0.500002 0.499999 Zr\n0.611118 0.500002 0.499999 Zr\n0.945243 0.500002 0.499999 Zr\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.482621654717063,
"density_atomic": 0.04279494443569828,
"volume": 280.40695363048434,
"volume_molar": 14.072084540379748,
"formula_full": "Zr12",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0004602325,
"spacegroup": 194
},
{
"id": "oqmd-1215747",
"created_at": "2022-09-04T15:39:08.374189Z",
"updated_at": "2022-09-04T15:39:08.374214Z",
"structure_string": "Zr1\n1.0\n0.000000 -3.157244 0.000000\n-3.157244 0.000000 0.000000\n1.578621 1.578621 -2.321629\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.545594475294707,
"density_atomic": 0.04321065871012591,
"volume": 23.142438228224968,
"volume_molar": 13.936702053997577,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0423904700000008,
"spacegroup": 225
}
]
}