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=3",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system",
"results": [
{
"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-7509",
"created_at": "2022-09-04T14:48:48.302717Z",
"updated_at": "2022-09-04T14:48:48.302743Z",
"structure_string": "Zr1\n1.0\n2.263224 -2.263224 0.000000\n-2.263224 0.000000 -2.263224\n2.263224 2.263224 0.000000\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.533495457306728,
"density_atomic": 0.043130787196701194,
"volume": 23.18529442644821,
"volume_molar": 13.962510659811459,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0396869400000011,
"spacegroup": 225
},
{
"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-758455",
"created_at": "2022-09-04T15:21:51.098696Z",
"updated_at": "2022-09-04T15:21:51.098723Z",
"structure_string": "Zr4\n1.0\n0.000000 -3.231190 0.000000\n-5.596610 0.000000 0.000000\n0.000000 0.000000 -5.185469\nZr\n4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500022 0.000000 Zr\n0.500001 0.166640 0.499999 Zr\n0.000000 0.666632 0.499999 Zr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.461637906073567,
"density_atomic": 0.04265642048580871,
"volume": 93.77251898880621,
"volume_molar": 14.117782719259097,
"formula_full": "Zr4",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 7.6027500000464e-05,
"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-1214678",
"created_at": "2022-09-04T15:39:03.343231Z",
"updated_at": "2022-09-04T15:39:03.343253Z",
"structure_string": "Zr1\n1.0\n1.614514 -0.932140 -2.512190\n-0.000000 1.864281 -2.512190\n1.614515 0.932140 2.512190\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.677766451624416,
"density_atomic": 0.044083190331475515,
"volume": 22.684383604740997,
"volume_molar": 13.660855112158648,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.056013720000001,
"spacegroup": 166
},
{
"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-1215301",
"created_at": "2022-09-04T15:39:04.335358Z",
"updated_at": "2022-09-04T15:39:04.335389Z",
"structure_string": "Zr2\n1.0\n3.206604 -0.000000 0.000000\n1.603302 2.787520 0.000000\n0.000000 0.000000 5.183398\nZr\n2\ndirect\n0.827614 0.344769 0.250000 Zr\n0.172384 0.655231 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.538984766062107,
"density_atomic": 0.043167024798660567,
"volume": 46.33166194168791,
"volume_molar": 13.950789492878977,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0028570400000003,
"spacegroup": 63
},
{
"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-8196",
"created_at": "2022-09-04T14:49:00.240333Z",
"updated_at": "2022-09-04T14:49:00.240353Z",
"structure_string": "Zr2\n1.0\n3.233948 0.000000 0.000000\n-1.616974 2.800652 0.000000\n0.000000 0.000000 5.161323\nZr\n2\ndirect\n0.333301 0.666602 0.250000 Zr\n0.666697 0.333397 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.4808950020070215,
"density_atomic": 0.04278354595978504,
"volume": 46.74694336649716,
"volume_molar": 14.075833652639709,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0001773850000006,
"spacegroup": 194
},
{
"id": "oqmd-758474",
"created_at": "2022-09-04T15:21:49.771754Z",
"updated_at": "2022-09-04T15:21:49.771783Z",
"structure_string": "Zr2\n1.0\n2.792932 1.612499 0.000000\n-2.792932 1.612499 0.000000\n0.000000 0.000000 5.181830\nZr\n2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.499999 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.491054145017599,
"density_atomic": 0.04285061141320937,
"volume": 46.673779767433345,
"volume_molar": 14.053803578036183,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.0003152550000002,
"spacegroup": 194
},
{
"id": "oqmd-1215034",
"created_at": "2022-09-04T15:39:06.313923Z",
"updated_at": "2022-09-04T15:39:06.313957Z",
"structure_string": "Zr8\n1.0\n5.678809 0.000000 0.000000\n0.000000 5.678809 0.000000\n0.000000 0.000000 5.678809\nZr\n8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.250000 0.000000 Zr\n0.499999 0.750001 0.000000 Zr\n0.000000 0.499999 0.250000 Zr\n0.250000 0.000000 0.499999 Zr\n0.750001 0.000000 0.499999 Zr\n0.499999 0.499999 0.499999 Zr\n0.000000 0.499999 0.750001 Zr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.617232741380018,
"density_atomic": 0.043683577812902774,
"volume": 183.13518261402683,
"volume_molar": 13.78582309762468,
"formula_full": "Zr8",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"formation_energy": 0.13634949875,
"spacegroup": 223
}
]
}