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=formation_energy&page=10",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formation_energy&page=8",
"results": [
{
"id": "oqmd-1560929",
"created_at": "2022-09-04T15:57:20.886719Z",
"updated_at": "2022-09-04T15:57:20.886752Z",
"structure_string": "Ca1 Eu1 F4\n1.0\n3.798219 0.000000 0.000000\n0.000000 3.798219 0.000000\n0.000000 0.000000 5.375750\nCa Eu F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.000000 0.255455 F\n0.000000 0.500000 0.255455 F\n0.500000 0.000000 0.744545 F\n0.000000 0.500000 0.744545 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Eu",
"F"
],
"chemical_system": "Ca-Eu-F",
"density": 5.7390833322215276,
"density_atomic": 0.07736636332219125,
"volume": 77.55308304996935,
"volume_molar": 7.783926374981426,
"formula_full": "Ca1 Eu1 F4",
"formula_reduced": "CaEuF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.366964774420737,
"spacegroup": 123
},
{
"id": "oqmd-1554633",
"created_at": "2022-09-04T15:57:01.134180Z",
"updated_at": "2022-09-04T15:57:01.134206Z",
"structure_string": "Ca1 Eu1 F4\n1.0\n3.798219 0.000000 0.000000\n0.000000 3.798219 0.000000\n0.000000 0.000000 5.375750\nCa Eu F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.000000 0.255455 F\n0.000000 0.500000 0.255455 F\n0.500000 0.000000 0.744545 F\n0.000000 0.500000 0.744545 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Eu",
"F"
],
"chemical_system": "Ca-Eu-F",
"density": 5.7390833322215276,
"density_atomic": 0.07736636332219125,
"volume": 77.55308304996935,
"volume_molar": 7.783926374981426,
"formula_full": "Ca1 Eu1 F4",
"formula_reduced": "CaEuF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.36696477275407,
"spacegroup": 123
},
{
"id": "oqmd-1440552",
"created_at": "2022-09-04T15:50:40.740115Z",
"updated_at": "2022-09-04T15:50:40.740147Z",
"structure_string": "Pr2 F6\n1.0\n5.937026 0.000000 0.000000\n-2.968513 5.141615 0.000000\n0.000000 0.000000 3.766506\nF Pr\n6 2\ndirect\n0.304631 0.393985 0.250001 F\n0.089355 0.695369 0.250001 F\n0.606014 0.910646 0.250001 F\n0.393985 0.089355 0.750000 F\n0.910646 0.304630 0.750000 F\n0.695369 0.606016 0.750000 F\n0.666666 0.333333 0.250001 Pr\n0.333333 0.666666 0.750000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 5.716418214821541,
"density_atomic": 0.06957974273673367,
"volume": 114.97599280108446,
"volume_molar": 8.655020158360966,
"formula_full": "Pr2 F6",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.36508937997333,
"spacegroup": 176
},
{
"id": "oqmd-1719440",
"created_at": "2022-09-04T16:00:58.458893Z",
"updated_at": "2022-09-04T16:00:58.458914Z",
"structure_string": "Pr1 Tm1 F6\n1.0\n0.000000 4.341812 4.341812\n4.341812 0.000000 4.341812\n4.341812 4.341812 0.000000\nF Pr Tm\n6 1 1\ndirect\n0.740984 0.259016 0.259016 F\n0.259016 0.740984 0.259016 F\n0.740984 0.740984 0.259016 F\n0.259016 0.259016 0.740984 F\n0.740984 0.259016 0.740984 F\n0.259016 0.740984 0.740984 F\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Tm\n",
"nsites": 8,
"nelements": 3,
"elements": [
"F",
"Pr",
"Tm"
],
"chemical_system": "F-Pr-Tm",
"density": 4.299323133776942,
"density_atomic": 0.04887051857805072,
"volume": 163.6978741533766,
"volume_molar": 12.322645503304997,
"formula_full": "Pr1 Tm1 F6",
"formula_reduced": "PrTmF6",
"formula_anonymous": "ABC6",
"formation_energy": -4.36466395028583,
"spacegroup": 225
},
{
"id": "oqmd-1710836",
"created_at": "2022-09-04T16:00:35.734515Z",
"updated_at": "2022-09-04T16:00:35.734527Z",
"structure_string": "Lu3 F9\n1.0\n4.886208 0.000000 0.000000\n-2.443104 4.231581 0.000000\n0.000000 0.000000 7.627634\nF Lu\n9 3\ndirect\n0.339495 0.014088 0.172392 F\n0.985912 0.325407 0.172392 F\n0.674593 0.660505 0.172392 F\n0.680107 0.000000 0.500000 F\n0.319893 0.319893 0.500000 F\n0.000000 0.680107 0.500000 F\n0.014088 0.339495 0.827608 F\n0.660505 0.674593 0.827608 F\n0.325407 0.985912 0.827608 F\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.335659 Lu\n0.666667 0.333333 0.664341 Lu\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Lu"
],
"chemical_system": "F-Lu",
"density": 7.326948423260497,
"density_atomic": 0.07608810907168224,
"volume": 157.7118967261344,
"volume_molar": 7.914693680094705,
"formula_full": "Lu3 F9",
"formula_reduced": "LuF3",
"formula_anonymous": "AB3",
"formation_energy": -4.364242681431663,
"spacegroup": 150
},
{
"id": "oqmd-1474079",
"created_at": "2022-09-04T15:52:13.886075Z",
"updated_at": "2022-09-04T15:52:13.886108Z",
"structure_string": "Y2 F6\n1.0\n1.778482 -3.803806 0.000000\n1.778482 3.803806 0.000000\n0.000000 0.000000 6.804827\nF Y\n6 2\ndirect\n0.847451 0.152547 0.065448 F\n0.550663 0.449336 0.250000 F\n0.847451 0.152547 0.434552 F\n0.152547 0.847451 0.565449 F\n0.449336 0.550663 0.750000 F\n0.152547 0.847451 0.934551 F\n0.249963 0.750036 0.250000 Y\n0.750036 0.249963 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Y"
],
"chemical_system": "F-Y",
"density": 5.262869747674228,
"density_atomic": 0.08689105485562235,
"volume": 92.06931614874226,
"volume_molar": 6.930679769058338,
"formula_full": "Y2 F6",
"formula_reduced": "YF3",
"formula_anonymous": "AB3",
"formation_energy": -4.364107331848329,
"spacegroup": 63
},
{
"id": "oqmd-1473204",
"created_at": "2022-09-04T15:52:04.312594Z",
"updated_at": "2022-09-04T15:52:04.312612Z",
"structure_string": "Pr2 F6\n1.0\n5.927227 0.000000 0.000000\n0.000000 3.768128 0.000000\n-2.958849 0.000000 5.137751\nF Pr\n6 2\ndirect\n0.196451 0.750000 0.106740 F\n0.589670 0.250000 0.196521 F\n0.106758 0.250000 0.410231 F\n0.893242 0.750000 0.589769 F\n0.410330 0.750000 0.803479 F\n0.803549 0.250000 0.893260 F\n0.833443 0.750000 0.166629 Pr\n0.166557 0.250000 0.833371 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 5.727708445491886,
"density_atomic": 0.06971716643737268,
"volume": 114.74935670523048,
"volume_molar": 8.637959727479348,
"formula_full": "Pr2 F6",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.36377352372333,
"spacegroup": 176
},
{
"id": "oqmd-1473091",
"created_at": "2022-09-04T15:52:04.682317Z",
"updated_at": "2022-09-04T15:52:04.682353Z",
"structure_string": "Pr2 F6\n1.0\n5.928083 0.000000 0.000000\n0.000000 3.765262 0.000000\n-2.962630 0.000000 5.136785\nF Pr\n6 2\ndirect\n0.910352 0.250000 0.106960 F\n0.607022 0.750000 0.196608 F\n0.303351 0.750000 0.410395 F\n0.696649 0.250000 0.589605 F\n0.392978 0.250000 0.803392 F\n0.089648 0.750000 0.893040 F\n0.333302 0.250000 0.166601 Pr\n0.666698 0.750000 0.833399 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Pr"
],
"chemical_system": "F-Pr",
"density": 5.73231829310391,
"density_atomic": 0.06977327709947723,
"volume": 114.65707692924086,
"volume_molar": 8.631013204975462,
"formula_full": "Pr2 F6",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"formation_energy": -4.363177538723329,
"spacegroup": 176
},
{
"id": "oqmd-1442460",
"created_at": "2022-09-04T15:50:40.887256Z",
"updated_at": "2022-09-04T15:50:40.887286Z",
"structure_string": "Nd2 F6\n1.0\n2.004353 -3.493352 0.000000\n2.004353 3.493352 0.000000\n0.000000 0.000000 7.095660\nF Nd\n6 2\ndirect\n0.166546 0.833453 0.080463 F\n0.499865 0.500134 0.249999 F\n0.166546 0.833453 0.419537 F\n0.833453 0.166546 0.580463 F\n0.500134 0.499865 0.749999 F\n0.833453 0.166546 0.919535 F\n0.832446 0.167552 0.249999 Nd\n0.167552 0.832446 0.749999 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Nd"
],
"chemical_system": "F-Nd",
"density": 6.725863168103414,
"density_atomic": 0.08051014983824474,
"volume": 99.36635338616348,
"volume_molar": 7.479977086242239,
"formula_full": "Nd2 F6",
"formula_reduced": "NdF3",
"formula_anonymous": "AB3",
"formation_energy": -4.36301848309833,
"spacegroup": 194
},
{
"id": "oqmd-1021426",
"created_at": "2022-09-04T15:28:11.855428Z",
"updated_at": "2022-09-04T15:28:11.855458Z",
"structure_string": "Th4 O4 F8\n1.0\n6.983020 0.000000 -0.155948\n0.000000 3.973520 0.000000\n-0.165785 0.000000 7.437044\nF O Th\n8 4 4\ndirect\n0.334686 0.257754 0.075641 F\n0.834705 0.757754 0.075642 F\n0.335220 0.257688 0.424351 F\n0.835235 0.757691 0.424357 F\n0.164766 0.757691 0.575643 F\n0.664779 0.257688 0.575647 F\n0.165296 0.757754 0.924359 F\n0.665313 0.257754 0.924362 F\n0.002813 0.257766 0.249868 O\n0.502810 0.757761 0.249868 O\n0.497189 0.757761 0.750132 O\n0.997189 0.257766 0.750133 O\n0.670672 0.257787 0.249762 Th\n0.170749 0.757789 0.249763 Th\n0.329329 0.257787 0.750237 Th\n0.829251 0.757789 0.750238 Th\n",
"nsites": 16,
"nelements": 3,
"elements": [
"F",
"O",
"Th"
],
"chemical_system": "F-O-Th",
"density": 9.211373057706714,
"density_atomic": 0.07757418139262695,
"volume": 206.25419066969005,
"volume_molar": 7.7630735534547,
"formula_full": "Th4 O4 F8",
"formula_reduced": "ThOF2",
"formula_anonymous": "ABC2",
"formation_energy": -4.36248564259586,
"spacegroup": 194
},
{
"id": "oqmd-1442461",
"created_at": "2022-09-04T15:50:42.479565Z",
"updated_at": "2022-09-04T15:50:42.479581Z",
"structure_string": "Sm2 F6\n1.0\n1.972672 -3.430755 0.000000\n1.972672 3.430755 0.000000\n0.000000 0.000000 7.009061\nF Sm\n6 2\ndirect\n0.166587 0.833411 0.079804 F\n0.499698 0.500301 0.250001 F\n0.166587 0.833411 0.420196 F\n0.833411 0.166587 0.579804 F\n0.500301 0.499698 0.750001 F\n0.833411 0.166587 0.920197 F\n0.832304 0.167695 0.250001 Sm\n0.167695 0.832304 0.750001 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"F",
"Sm"
],
"chemical_system": "F-Sm",
"density": 7.258712972023434,
"density_atomic": 0.08432484788473689,
"volume": 94.8712058269604,
"volume_molar": 7.141596944511097,
"formula_full": "Sm2 F6",
"formula_reduced": "SmF3",
"formula_anonymous": "AB3",
"formation_energy": -4.36214085872333,
"spacegroup": 194
},
{
"id": "oqmd-1367405",
"created_at": "2022-09-04T15:49:55.524139Z",
"updated_at": "2022-09-04T15:49:55.524151Z",
"structure_string": "Sr1 Dy2 F8\n1.0\n3.385866 -5.044071 0.000000\n3.385866 5.044071 0.000000\n-0.866532 0.000000 4.034793\nDy F Sr\n2 8 1\ndirect\n0.677736 0.322265 0.500001 Dy\n0.322265 0.677736 0.500001 Dy\n0.754251 0.245751 0.000000 F\n0.245751 0.754251 0.000000 F\n0.377371 0.377371 0.194149 F\n0.943459 0.678187 0.422832 F\n0.678187 0.943459 0.422832 F\n0.321813 0.056541 0.577167 F\n0.056541 0.321813 0.577167 F\n0.622629 0.622629 0.805853 F\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Dy",
"F",
"Sr"
],
"chemical_system": "Dy-F-Sr",
"density": 6.802887945189907,
"density_atomic": 0.07981609450032917,
"volume": 137.8168158798428,
"volume_molar": 7.545020584758333,
"formula_full": "Sr1 Dy2 F8",
"formula_reduced": "SrDy2F8",
"formula_anonymous": "AB2C8",
"formation_energy": -4.36125527785293,
"spacegroup": 12
}
]
}