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=6",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=4",
"results": [
{
"id": "oqmd-1215123",
"created_at": "2022-09-04T15:39:04.074558Z",
"updated_at": "2022-09-04T15:39:04.074588Z",
"structure_string": "Zr4\n1.0\n0.000000 0.000000 3.252658\n5.228165 -0.000000 0.000000\n2.614083 5.457581 0.000000\nZr\n4\ndirect\n0.998620 0.365520 0.268960 Zr\n0.501381 0.865521 0.268960 Zr\n0.498620 0.134479 0.731040 Zr\n0.001380 0.634481 0.731040 Zr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.528754267519964,
"density_atomic": 0.043099488292601795,
"volume": 92.80852646890048,
"volume_molar": 13.97265025309761,
"formula_full": "Zr4",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.1841828875,
"spacegroup": 69
},
{
"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-758451",
"created_at": "2022-09-04T15:22:27.301890Z",
"updated_at": "2022-09-04T15:22:27.301920Z",
"structure_string": "Zr10\n1.0\n2.792856 4.837350 0.000000\n-5.584789 6.449266 0.000000\n0.000000 0.000000 5.188158\nZr\n10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.399947 0.200007 0.000000 Zr\n0.799950 0.399993 0.000000 Zr\n0.199934 0.600008 0.000000 Zr\n0.599945 0.799996 0.000000 Zr\n0.666706 0.000000 0.500000 Zr\n0.066700 0.199998 0.500000 Zr\n0.466691 0.400004 0.500000 Zr\n0.866694 0.599996 0.500000 Zr\n0.266683 0.799999 0.500000 Zr\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.484368083871189,
"density_atomic": 0.042806473465555724,
"volume": 233.60952656019447,
"volume_molar": 14.068294518224496,
"formula_full": "Zr10",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0005010270000003,
"spacegroup": 194
},
{
"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-1216014",
"created_at": "2022-09-04T15:39:09.214222Z",
"updated_at": "2022-09-04T15:39:09.214246Z",
"structure_string": "Zr4\n1.0\n4.989593 -0.000000 0.000000\n-2.494797 4.321115 0.000000\n0.000000 0.000000 4.961379\nZr\n4\ndirect\n0.000000 0.000000 0.250001 Zr\n0.333334 0.666668 0.250001 Zr\n0.000000 0.000000 0.749999 Zr\n0.666667 0.333333 0.749999 Zr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 5.664412202666735,
"density_atomic": 0.03739354514043351,
"volume": 106.97033364923759,
"volume_molar": 16.10476015949683,
"formula_full": "Zr4",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 1.13936717,
"spacegroup": 194
},
{
"id": "oqmd-67408",
"created_at": "2022-09-04T15:15:51.306190Z",
"updated_at": "2022-09-04T15:15:51.306218Z",
"structure_string": "Zr2\n1.0\n3.235323 0.000000 0.000000\n-1.617662 2.801816 0.000000\n0.000000 0.000000 5.173023\nZr\n2\ndirect\n0.333302 0.666603 0.250001 Zr\n0.666697 0.333394 0.750001 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.460803594692525,
"density_atomic": 0.04265091278983393,
"volume": 46.89231411893043,
"volume_molar": 14.119605809316722,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0,
"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-758445",
"created_at": "2022-09-04T15:21:51.065540Z",
"updated_at": "2022-09-04T15:21:51.065568Z",
"structure_string": "Zr4\n1.0\n0.000000 -3.231195 0.000000\n-5.596618 0.000000 0.000000\n0.000000 0.000000 -5.185476\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500022 0.000000 Zr\n0.500001 0.166640 0.499998 Zr\n0.000000 0.666631 0.499998 Zr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.461609948066199,
"density_atomic": 0.04265623592137852,
"volume": 93.77292472248526,
"volume_molar": 14.117843803892255,
"formula_full": "Zr4",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 7.49925000000928e-05,
"spacegroup": 194
},
{
"id": "oqmd-760811",
"created_at": "2022-09-04T15:22:07.756796Z",
"updated_at": "2022-09-04T15:22:07.756827Z",
"structure_string": "Zr2 Zn6\n1.0\n5.559449 0.000000 0.000000\n0.000000 5.619221 0.000000\n0.000000 0.000000 4.174949\nZn Zr\n6 2\ndirect\n0.525271 0.250449 0.000000 Zn\n0.924419 0.500000 0.000000 Zn\n0.525271 0.749551 0.000000 Zn\n0.408915 0.000000 0.499999 Zn\n0.808062 0.249552 0.499999 Zn\n0.808062 0.750449 0.499999 Zn\n0.061616 0.000000 0.000000 Zr\n0.271718 0.500000 0.499999 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 7.319541523184378,
"density_atomic": 0.06133818893169825,
"volume": 130.42445724813,
"volume_molar": 9.817930501185513,
"formula_full": "Zr2 Zn6",
"formula_reduced": "ZrZn3",
"formula_anonymous": "AB3",
"formation_energy": -0.24816390125,
"spacegroup": 59
},
{
"id": "oqmd-760793",
"created_at": "2022-09-04T15:22:07.925373Z",
"updated_at": "2022-09-04T15:22:07.925412Z",
"structure_string": "Zr4 Zn4\n1.0\n5.842694 0.000000 0.000000\n0.000000 5.701102 0.000000\n0.000000 0.000000 4.502623\nZn Zr\n4 4\ndirect\n0.989773 0.003950 0.000000 Zn\n0.489772 0.246049 0.000000 Zn\n0.343561 0.503952 0.500000 Zn\n0.843560 0.746051 0.500000 Zn\n0.059787 0.505648 0.000000 Zr\n0.559788 0.744351 0.000000 Zr\n0.273545 0.005648 0.500000 Zr\n0.773542 0.244353 0.500000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.9367304155805645,
"density_atomic": 0.0533399309101347,
"volume": 149.98144661038515,
"volume_molar": 11.290117285952052,
"formula_full": "Zr4 Zn4",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.23162452125,
"spacegroup": 62
},
{
"id": "oqmd-758415",
"created_at": "2022-09-04T15:25:11.271136Z",
"updated_at": "2022-09-04T15:25:11.271157Z",
"structure_string": "Zr8 Zn6\n1.0\n5.400813 6.238251 0.000000\n-2.698867 7.796483 0.000000\n0.000000 0.000000 4.672941\nZn Zr\n6 8\ndirect\n0.697841 0.444883 0.000000 Zn\n0.301982 0.571472 0.000000 Zn\n0.428698 0.840659 0.000000 Zn\n0.523724 0.397399 0.500000 Zn\n0.650361 0.666591 0.500000 Zn\n0.254512 0.793177 0.500000 Zn\n0.571596 0.168317 0.000000 Zr\n0.142876 0.285738 0.000000 Zr\n0.831477 0.714481 0.000000 Zr\n0.025450 0.974309 0.000000 Zr\n0.380745 0.069786 0.500000 Zr\n0.926930 0.263793 0.500000 Zr\n0.120887 0.523600 0.500000 Zr\n0.809485 0.952364 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.765665613108799,
"density_atomic": 0.05082781042644688,
"volume": 275.4397618653956,
"volume_molar": 11.848121548959233,
"formula_full": "Zr8 Zn6",
"formula_reduced": "Zr4Zn3",
"formula_anonymous": "A3B4",
"formation_energy": -0.0773750478571417,
"spacegroup": 176
},
{
"id": "oqmd-760784",
"created_at": "2022-09-04T15:24:54.736366Z",
"updated_at": "2022-09-04T15:24:54.736393Z",
"structure_string": "Zr6 Zn6\n1.0\n5.715180 0.000167 0.000000\n0.000251 8.622996 0.000000\n0.000000 0.000000 4.546469\nZn Zr\n6 6\ndirect\n0.964077 0.266784 0.000000 Zn\n0.464034 0.566537 0.000000 Zn\n0.639111 0.893331 0.000000 Zn\n0.139064 0.939975 0.000000 Zn\n0.354913 0.074487 0.499999 Zn\n0.855172 0.758880 0.499999 Zn\n0.475515 0.224561 0.000000 Zr\n0.975463 0.608726 0.000000 Zr\n0.861576 0.073268 0.499999 Zr\n0.204630 0.407069 0.499999 Zr\n0.704608 0.426295 0.499999 Zr\n0.361775 0.760091 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Zr"
],
"chemical_system": "Zn-Zr",
"density": 6.965002591702883,
"density_atomic": 0.053557329573582314,
"volume": 224.05896812896958,
"volume_molar": 11.244288705108405,
"formula_full": "Zr6 Zn6",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"formation_energy": -0.1873768925,
"spacegroup": 26
}
]
}