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_reduced&page=16",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_reduced&page=14",
"results": [
{
"id": "oqmd-1043120",
"created_at": "2022-09-04T15:32:09.655676Z",
"updated_at": "2022-09-04T15:32:09.655717Z",
"structure_string": "Zr2 Zn2 Ir4\n1.0\n2.148104 -3.720624 0.000000\n2.148104 3.720624 0.000000\n0.000000 0.000000 8.539643\nIr Zn Zr\n4 2 2\ndirect\n0.666666 0.333332 0.094786 Ir\n0.666666 0.333332 0.405214 Ir\n0.333332 0.666666 0.594786 Ir\n0.333332 0.666666 0.905213 Ir\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.250000 Zr\n0.666666 0.333332 0.750000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 13.164044507412859,
"density_atomic": 0.058606959228296014,
"volume": 136.5025605378537,
"volume_molar": 10.275470420742204,
"formula_full": "Zr2 Zn2 Ir4",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.480377331250001,
"spacegroup": 194
},
{
"id": "oqmd-1015941",
"created_at": "2022-09-04T15:27:51.690399Z",
"updated_at": "2022-09-04T15:27:51.690426Z",
"structure_string": "Zr6 Zn6 Ir12\n1.0\n4.492892 0.000000 0.000000\n0.000000 6.351374 0.000000\n0.000000 0.000000 13.472195\nIr Zn Zr\n12 6 6\ndirect\n0.499999 0.249993 0.000000 Ir\n0.499999 0.750008 0.000000 Ir\n0.999779 0.249954 0.166688 Ir\n0.999779 0.750046 0.166688 Ir\n0.499778 0.250047 0.333312 Ir\n0.499778 0.749954 0.333312 Ir\n0.000000 0.250007 0.500000 Ir\n0.000000 0.749991 0.500000 Ir\n0.500223 0.250047 0.666688 Ir\n0.500223 0.749954 0.666688 Ir\n0.000220 0.249954 0.833313 Ir\n0.000220 0.750046 0.833313 Ir\n0.000000 0.500001 0.000000 Zn\n0.499921 0.000000 0.166699 Zn\n0.000000 0.500001 0.333301 Zn\n0.499999 0.000000 0.500000 Zn\n0.000000 0.500001 0.666699 Zn\n0.500081 0.000000 0.833301 Zn\n0.000000 0.000000 0.000000 Zr\n0.499812 0.500001 0.166654 Zr\n0.999813 0.000000 0.333347 Zr\n0.499999 0.500001 0.500000 Zr\n0.000187 0.000000 0.666653 Zr\n0.500186 0.500001 0.833347 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.02230368057539,
"density_atomic": 0.06242797034235924,
"volume": 384.44306083286654,
"volume_molar": 9.646542610586522,
"formula_full": "Zr6 Zn6 Ir12",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.635293997083333,
"spacegroup": 225
},
{
"id": "oqmd-1123210",
"created_at": "2022-09-04T15:44:30.962176Z",
"updated_at": "2022-09-04T15:44:30.962201Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n0.000000 3.194467 3.194467\n3.194467 0.000000 3.194467\n3.194467 3.194467 0.000000\nIr Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.249999 0.249999 0.249999 Ir\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 13.78081588389882,
"density_atomic": 0.0613528550579962,
"volume": 65.19663993173329,
"volume_molar": 9.815583568698365,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.2006318425,
"spacegroup": 216
},
{
"id": "oqmd-1013771",
"created_at": "2022-09-04T15:27:31.807382Z",
"updated_at": "2022-09-04T15:27:31.807408Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n3.272688 0.000000 0.000000\n0.000000 3.272688 0.000000\n0.000000 0.000000 6.004047\nIr Zn Zr\n2 1 1\ndirect\n0.499999 0.499999 0.237551 Ir\n0.499999 0.499999 0.762447 Ir\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.499999 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 13.97162282406214,
"density_atomic": 0.062202336731833646,
"volume": 64.30626581192242,
"volume_molar": 9.68153461173431,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.6151980525,
"spacegroup": 123
},
{
"id": "oqmd-1047308",
"created_at": "2022-09-04T15:32:55.777023Z",
"updated_at": "2022-09-04T15:32:55.777053Z",
"structure_string": "Zr2 Zn2 Ir4\n1.0\n2.261907 -3.917738 0.000000\n2.261907 3.917738 0.000000\n0.000000 0.000000 7.591820\nIr Zn Zr\n4 2 2\ndirect\n0.333334 0.666667 0.080135 Ir\n0.333334 0.666667 0.419865 Ir\n0.666667 0.333334 0.580135 Ir\n0.666667 0.333334 0.919865 Ir\n0.666667 0.333334 0.250001 Zn\n0.333334 0.666667 0.750001 Zn\n0.000000 0.000000 0.250001 Zr\n0.000000 0.000000 0.750001 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 13.355006635205749,
"density_atomic": 0.059457131804923534,
"volume": 134.55072179141905,
"volume_molar": 10.128542324844062,
"formula_full": "Zr2 Zn2 Ir4",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.0310657375000005,
"spacegroup": 194
},
{
"id": "oqmd-1015304",
"created_at": "2022-09-04T15:27:40.699687Z",
"updated_at": "2022-09-04T15:27:40.699721Z",
"structure_string": "Zr6 Zn6 Ir12\n1.0\n4.493768 0.000000 0.000000\n0.000000 6.342229 0.000000\n0.000000 0.000000 13.479522\nIr Zn Zr\n12 6 6\ndirect\n0.499999 0.249994 0.000000 Ir\n0.499999 0.750006 0.000000 Ir\n0.999889 0.249953 0.166675 Ir\n0.999889 0.750047 0.166675 Ir\n0.499890 0.250048 0.333323 Ir\n0.499890 0.749952 0.333323 Ir\n0.000000 0.250007 0.500000 Ir\n0.000000 0.749993 0.500000 Ir\n0.500110 0.250048 0.666677 Ir\n0.500110 0.749952 0.666677 Ir\n0.000111 0.249953 0.833325 Ir\n0.000111 0.750047 0.833325 Ir\n0.000000 0.000000 0.000000 Zn\n0.499892 0.499999 0.166569 Zn\n0.999891 0.000000 0.333431 Zn\n0.499999 0.499999 0.500000 Zn\n0.000109 0.000000 0.666569 Zn\n0.500108 0.499999 0.833432 Zn\n0.000000 0.499999 0.000000 Zr\n0.499894 0.000000 0.166678 Zr\n0.999894 0.499999 0.333321 Zr\n0.499999 0.000000 0.500000 Zr\n0.000107 0.499999 0.666679 Zr\n0.500106 0.000000 0.833322 Zr\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.032153808004937,
"density_atomic": 0.06247182358338496,
"volume": 384.17319398345614,
"volume_molar": 9.639771043279826,
"formula_full": "Zr6 Zn6 Ir12",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.635205853333333,
"spacegroup": 225
},
{
"id": "oqmd-747075",
"created_at": "2022-09-04T15:21:38.767156Z",
"updated_at": "2022-09-04T15:21:38.767177Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n0.000000 3.195445 3.195445\n3.195445 0.000000 3.195445\n3.195445 3.195445 0.000000\nIr Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.750000 0.750000 Ir\n0.500001 0.500001 0.500001 Zn\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 13.76816645943943,
"density_atomic": 0.06129653921197065,
"volume": 65.25653897306549,
"volume_molar": 9.824601580155656,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.20073658,
"spacegroup": 216
},
{
"id": "oqmd-459218",
"created_at": "2022-09-04T15:02:18.747090Z",
"updated_at": "2022-09-04T15:02:18.747111Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n0.000000 3.174220 3.174220\n3.174220 0.000000 3.174220\n3.174220 3.174220 0.000000\nIr Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.046207426769053,
"density_atomic": 0.06253439096998524,
"volume": 63.964803014070895,
"volume_molar": 9.63012618591018,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.635346875000001,
"spacegroup": 225
},
{
"id": "oqmd-1017812",
"created_at": "2022-09-04T15:27:50.410538Z",
"updated_at": "2022-09-04T15:27:50.410560Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n4.211207 0.000000 0.000000\n0.000000 4.211207 0.000000\n0.000000 0.000000 3.583183\nIr Zn Zr\n2 1 1\ndirect\n0.499999 0.000000 0.500000 Ir\n0.000000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.138976620453578,
"density_atomic": 0.06294740388169709,
"volume": 63.54511470429459,
"volume_molar": 9.566940633990194,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"formation_energy": -0.6460149,
"spacegroup": 123
},
{
"id": "oqmd-988115",
"created_at": "2022-09-04T15:35:16.787647Z",
"updated_at": "2022-09-04T15:35:16.787660Z",
"structure_string": "Zr1 Zn1 Ir1\n1.0\n0.000000 3.129180 3.129180\n3.129180 0.000000 3.129180\n3.129180 3.129180 0.000000\nIr Zn Zr\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 9.452924553588723,
"density_atomic": 0.04895528932926257,
"volume": 61.28040587856925,
"volume_molar": 12.301307667689183,
"formula_full": "Zr1 Zn1 Ir1",
"formula_reduced": "ZrZnIr",
"formula_anonymous": "ABC",
"formation_energy": 0.0525583666666662,
"spacegroup": 216
},
{
"id": "oqmd-915037",
"created_at": "2022-09-04T15:38:09.294181Z",
"updated_at": "2022-09-04T15:38:09.294199Z",
"structure_string": "Zr1 Zn1 Ir1\n1.0\n0.000000 3.025900 3.025900\n3.025900 0.000000 3.025900\n3.025900 3.025900 0.000000\nIr Zn Zr\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 10.454279694469262,
"density_atomic": 0.054141158566369786,
"volume": 55.41070932795801,
"volume_molar": 11.123036372813607,
"formula_full": "Zr1 Zn1 Ir1",
"formula_reduced": "ZrZnIr",
"formula_anonymous": "ABC",
"formation_energy": -0.057769986666667,
"spacegroup": 216
},
{
"id": "oqmd-893806",
"created_at": "2022-09-04T15:33:05.100608Z",
"updated_at": "2022-09-04T15:33:05.100640Z",
"structure_string": "Zr1 Zn1 Ir1\n1.0\n0.000000 3.105003 3.105003\n3.105003 0.000000 3.105003\n3.105003 3.105003 0.000000\nIr Zn Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750001 0.750001 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ir",
"Zn",
"Zr"
],
"chemical_system": "Ir-Zn-Zr",
"density": 9.675463005994143,
"density_atomic": 0.050107782852577276,
"volume": 59.870938788617664,
"volume_molar": 12.018374027279982,
"formula_full": "Zr1 Zn1 Ir1",
"formula_reduced": "ZrZnIr",
"formula_anonymous": "ABC",
"formation_energy": -0.408676340000001,
"spacegroup": 216
}
]
}