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=elements&page=37",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=elements&page=35",
"results": [
{
"id": "oqmd-629868",
"created_at": "2022-09-04T15:15:44.129036Z",
"updated_at": "2022-09-04T15:15:44.129073Z",
"structure_string": "Ca4\n1.0\n0.000000 0.000000 6.409544\n3.614671 -3.614671 3.204773\n3.614671 3.614671 -3.204773\nCa\n4\ndirect\n0.328171 0.500000 0.156339 Ca\n0.171830 0.156339 0.500000 Ca\n0.828169 0.843660 0.500000 Ca\n0.671832 0.500000 0.843660 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5893533117505456,
"density_atomic": 0.023881704087134054,
"volume": 167.49223528629793,
"volume_molar": 25.216545427528125,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.162881395,
"spacegroup": 140
},
{
"id": "oqmd-592557",
"created_at": "2022-09-04T15:15:50.837202Z",
"updated_at": "2022-09-04T15:15:50.837229Z",
"structure_string": "Ca1\n1.0\n2.720338 -2.720338 0.000000\n-2.720338 0.000000 -2.720338\n2.720338 2.720338 0.000000\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6529379022877164,
"density_atomic": 0.024837129394070866,
"volume": 40.26230181973931,
"volume_molar": 24.246524888007425,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0004169899999999,
"spacegroup": 225
},
{
"id": "oqmd-1215047",
"created_at": "2022-09-04T15:39:03.992199Z",
"updated_at": "2022-09-04T15:39:03.992222Z",
"structure_string": "Ca4\n1.0\n0.000000 0.000000 4.067574\n5.943150 0.000000 0.000000\n2.971574 6.586188 0.000000\nCa\n4\ndirect\n0.501495 0.867946 0.264107 Ca\n0.998504 0.367946 0.264107 Ca\n0.001497 0.632054 0.735893 Ca\n0.498503 0.132053 0.735893 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6719714301587532,
"density_atomic": 0.02512312815657992,
"volume": 159.2158418756612,
"volume_molar": 23.970505274928353,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.147536535,
"spacegroup": 69
},
{
"id": "oqmd-629876",
"created_at": "2022-09-04T15:15:51.488096Z",
"updated_at": "2022-09-04T15:15:51.488116Z",
"structure_string": "Ca4\n1.0\n0.000000 -0.000086 6.388840\n3.600034 -3.599831 3.194469\n3.600029 3.599826 -3.194468\nCa\n4\ndirect\n0.328349 0.500023 0.156726 Ca\n0.828350 0.843271 0.499973 Ca\n0.171649 0.156726 0.500027 Ca\n0.671648 0.499975 0.843272 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.607608145741773,
"density_atomic": 0.024156002155609518,
"volume": 165.5903147479691,
"volume_molar": 24.930204597624346,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.167000915,
"spacegroup": 140
},
{
"id": "oqmd-629873",
"created_at": "2022-09-04T15:15:51.527756Z",
"updated_at": "2022-09-04T15:15:51.527783Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.867925\n2.238664 2.238664 1.933963\n2.238664 -2.238664 -1.933963\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7166006296110228,
"density_atomic": 0.02579372878834937,
"volume": 38.769113539399726,
"volume_molar": 23.347305887468693,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.03093144,
"spacegroup": 139
},
{
"id": "oqmd-1215938",
"created_at": "2022-09-04T15:39:08.384697Z",
"updated_at": "2022-09-04T15:39:08.384722Z",
"structure_string": "Ca4\n1.0\n5.983241 -0.000000 0.000000\n-2.991622 5.181640 0.000000\n0.000000 0.000000 6.254779\nCa\n4\ndirect\n0.000000 0.000000 0.249999 Ca\n0.333333 0.666665 0.249999 Ca\n0.000000 0.000000 0.750001 Ca\n0.666666 0.333335 0.750003 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.3727752086031828,
"density_atomic": 0.020627390440899358,
"volume": 193.91691893652833,
"volume_molar": 29.194874539532076,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.67918971,
"spacegroup": 194
},
{
"id": "oqmd-629879",
"created_at": "2022-09-04T15:15:51.307853Z",
"updated_at": "2022-09-04T15:15:51.307868Z",
"structure_string": "Ca1\n1.0\n0.000000 0.000000 -3.863202\n-2.236158 -2.236158 1.931601\n-2.236158 2.236158 -1.931601\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7225536339148746,
"density_atomic": 0.02588317893525059,
"volume": 38.63513065769865,
"volume_molar": 23.266619510165267,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.03237282,
"spacegroup": 139
},
{
"id": "oqmd-1520127",
"created_at": "2022-09-04T15:54:26.998646Z",
"updated_at": "2022-09-04T15:54:26.998677Z",
"structure_string": "Ca10\n1.0\n9.702674 0.000000 0.000000\n0.000000 9.702674 0.000000\n0.000000 0.000000 4.249965\nCa\n10\ndirect\n0.000000 0.000000 0.000000 Ca\n0.369052 0.130948 0.000000 Ca\n0.869052 0.369052 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.130948 0.630948 0.000000 Ca\n0.630948 0.869052 0.000000 Ca\n0.667231 0.167231 0.500000 Ca\n0.167231 0.332769 0.500000 Ca\n0.832769 0.667231 0.500000 Ca\n0.332769 0.832769 0.500000 Ca\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6633624967215253,
"density_atomic": 0.024993769882787877,
"volume": 400.0997067227768,
"volume_molar": 24.0945675191928,
"formula_full": "Ca10",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.1333833169999998,
"spacegroup": 127
},
{
"id": "oqmd-1277932",
"created_at": "2022-09-04T15:42:08.276706Z",
"updated_at": "2022-09-04T15:42:08.276728Z",
"structure_string": "Ca28\n1.0\n8.224058 -8.224058 0.000000\n8.224058 8.224058 0.000000\n-8.224058 0.000000 8.224058\nCa\n28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.707546 0.062746 0.000000 Ca\n0.437253 0.207545 0.000000 Ca\n0.937254 0.292454 0.000000 Ca\n0.207545 0.437253 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.792454 0.562746 0.000000 Ca\n0.062746 0.707546 0.000000 Ca\n0.562746 0.792454 0.000000 Ca\n0.292454 0.937254 0.000000 Ca\n0.292454 0.292454 0.229708 Ca\n0.792455 0.437254 0.229708 Ca\n0.437254 0.792455 0.229708 Ca\n0.937254 0.937254 0.229708 Ca\n0.292453 0.062746 0.355200 Ca\n0.062746 0.292453 0.355200 Ca\n0.562746 0.562746 0.355200 Ca\n0.792454 0.792454 0.355200 Ca\n0.750000 0.249999 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.207545 0.207545 0.644799 Ca\n0.437254 0.437254 0.644799 Ca\n0.937253 0.707546 0.644799 Ca\n0.707546 0.937253 0.644799 Ca\n0.062747 0.062747 0.770293 Ca\n0.562746 0.207545 0.770293 Ca\n0.207545 0.562746 0.770293 Ca\n0.707546 0.707546 0.770293 Ca\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6750380641151446,
"density_atomic": 0.025169207555130652,
"volume": 1112.4704637072414,
"volume_molar": 23.926620442098137,
"formula_full": "Ca28",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.18410432035714,
"spacegroup": 226
},
{
"id": "oqmd-629199",
"created_at": "2022-09-04T15:15:51.304062Z",
"updated_at": "2022-09-04T15:15:51.304089Z",
"structure_string": "Ca8\n1.0\n4.438657 0.000000 0.000000\n0.000000 4.438657 0.000000\n0.000000 0.000000 15.826443\nCa\n8\ndirect\n0.502046 0.004920 0.062367 Ca\n0.997955 0.504923 0.187633 Ca\n0.495078 0.002046 0.312366 Ca\n0.995076 0.497952 0.437633 Ca\n0.497952 0.995076 0.562367 Ca\n0.002046 0.495078 0.687633 Ca\n0.504923 0.997955 0.812366 Ca\n0.004920 0.502046 0.937633 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7074918347328594,
"density_atomic": 0.025656859571000144,
"volume": 311.807451643161,
"volume_molar": 23.47185454765011,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0251400675,
"spacegroup": 139
},
{
"id": "oqmd-632880",
"created_at": "2022-09-04T15:15:51.560955Z",
"updated_at": "2022-09-04T15:15:51.560968Z",
"structure_string": "Ca2\n1.0\n3.878489 0.000000 0.000000\n0.000000 -5.020240 0.000000\n0.000000 0.000000 -3.974351\nCa\n2\ndirect\n0.749408 0.250000 0.380799 Ca\n0.250592 0.750000 0.880803 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.720013559115922,
"density_atomic": 0.025845011641509614,
"volume": 77.38437218530034,
"volume_molar": 23.300979096205374,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.01744645,
"spacegroup": 139
},
{
"id": "oqmd-1214691",
"created_at": "2022-09-04T15:39:03.222335Z",
"updated_at": "2022-09-04T15:39:03.222351Z",
"structure_string": "Ca4\n1.0\n-2.936348 -6.262061 -0.000002\n-2.936348 6.262061 0.000002\n0.000000 -0.000000 -4.079183\nCa\n4\ndirect\n0.867528 0.132473 0.000000 Ca\n0.132473 0.867528 0.000000 Ca\n0.632473 0.367528 0.499997 Ca\n0.367528 0.632473 0.500002 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.7745454483606693,
"density_atomic": 0.026664410596183217,
"volume": 150.01269147020133,
"volume_molar": 22.58493859550009,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.18394783,
"spacegroup": 69
}
]
}