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=2",
"previous": null,
"results": [
{
"id": "oqmd-5660",
"created_at": "2022-09-04T14:49:24.401897Z",
"updated_at": "2022-09-04T14:49:24.401918Z",
"structure_string": "Eu1 F2\n1.0\n2.738663 -2.738663 0.000000\n-2.738663 0.000000 -2.738663\n2.738663 2.738663 0.000000\nEu F\n1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.749999 0.499999 0.250000 F\n0.250000 0.499999 0.749999 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 7.678339719755849,
"density_atomic": 0.07302565748338745,
"volume": 41.08145141565439,
"volume_molar": 8.246609435005734,
"formula_full": "Eu1 F2",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.5663778560874,
"spacegroup": 225
},
{
"id": "oqmd-1473876",
"created_at": "2022-09-04T15:52:15.219017Z",
"updated_at": "2022-09-04T15:52:15.219046Z",
"structure_string": "Eu4 F8\n1.0\n5.388642 0.000000 0.000000\n0.000000 5.413232 0.000000\n-0.133979 0.000000 5.458419\nEu F\n4 8\ndirect\n0.750046 0.500384 0.249677 Eu\n0.249954 0.000384 0.250323 Eu\n0.750046 0.999616 0.749677 Eu\n0.249954 0.499616 0.750323 Eu\n0.000000 0.747443 0.000726 F\n0.500334 0.246688 0.001009 F\n0.499666 0.746688 0.498991 F\n0.000000 0.247443 0.499274 F\n0.000000 0.752557 0.500726 F\n0.500334 0.253312 0.501009 F\n0.499666 0.753312 0.998991 F\n0.000000 0.252557 0.999274 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 7.924470465315897,
"density_atomic": 0.07536650982613459,
"volume": 159.22191471627363,
"volume_molar": 7.990473187484295,
"formula_full": "Eu4 F8",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.540729696087404,
"spacegroup": 225
},
{
"id": "oqmd-1364488",
"created_at": "2022-09-04T15:46:57.646873Z",
"updated_at": "2022-09-04T15:46:57.646902Z",
"structure_string": "Yb1 F2\n1.0\n0.000000 2.614243 2.614243\n2.614243 0.000000 2.614243\n2.614243 2.614243 0.000000\nF Yb\n2 1\ndirect\n0.250000 0.250000 0.250000 F\n0.749999 0.749999 0.749999 F\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"F",
"Yb"
],
"chemical_system": "F-Yb",
"density": 9.807073868501288,
"density_atomic": 0.08395632066422638,
"volume": 35.73286652232122,
"volume_molar": 7.172945065190335,
"formula_full": "Yb1 F2",
"formula_reduced": "YbF2",
"formula_anonymous": "AB2",
"formation_energy": -4.53856291942074,
"spacegroup": 225
},
{
"id": "oqmd-1343916",
"created_at": "2022-09-04T15:45:55.416535Z",
"updated_at": "2022-09-04T15:45:55.416551Z",
"structure_string": "Eu4 F8\n1.0\n5.968172 0.000000 0.000000\n0.000000 3.680894 0.000000\n0.000000 0.000000 6.979558\nEu F\n4 8\ndirect\n0.259942 0.750000 0.114016 Eu\n0.759942 0.750000 0.385984 Eu\n0.240058 0.250000 0.614016 Eu\n0.740058 0.250000 0.885984 Eu\n0.648158 0.750000 0.069977 F\n0.971745 0.250000 0.184206 F\n0.471745 0.250000 0.315794 F\n0.148158 0.750000 0.430023 F\n0.851842 0.250000 0.569977 F\n0.528255 0.750000 0.684206 F\n0.028255 0.750000 0.815794 F\n0.351842 0.250000 0.930023 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 8.229065721436115,
"density_atomic": 0.0782633950456397,
"volume": 153.3283854221011,
"volume_molar": 7.694709329295208,
"formula_full": "Eu4 F8",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.53815904775407,
"spacegroup": 62
},
{
"id": "oqmd-1343347",
"created_at": "2022-09-04T15:45:55.255595Z",
"updated_at": "2022-09-04T15:45:55.255610Z",
"structure_string": "Eu4 F8\n1.0\n7.363234 0.000000 0.000000\n0.000000 4.405901 0.000000\n0.000000 0.000000 8.755149\nEu F\n4 8\ndirect\n0.750829 0.250000 0.114483 Eu\n0.250829 0.250000 0.385517 Eu\n0.749171 0.750000 0.614483 Eu\n0.249171 0.750000 0.885517 Eu\n0.356702 0.250000 0.072114 F\n0.023301 0.750000 0.165758 F\n0.523301 0.750000 0.334242 F\n0.856702 0.250000 0.427886 F\n0.143298 0.750000 0.572114 F\n0.476699 0.250000 0.665758 F\n0.976699 0.250000 0.834242 F\n0.643298 0.750000 0.927886 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 4.442282926114036,
"density_atomic": 0.04224879899127709,
"volume": 284.0317425940932,
"volume_molar": 14.253992785080973,
"formula_full": "Eu4 F8",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.53502580192074,
"spacegroup": 62
},
{
"id": "oqmd-1343567",
"created_at": "2022-09-04T15:45:57.896218Z",
"updated_at": "2022-09-04T15:45:57.896239Z",
"structure_string": "Eu10 F20\n1.0\n11.338468 0.000000 0.000000\n0.000000 11.338468 0.000000\n0.000000 0.000000 6.972786\nEu F\n10 20\ndirect\n0.500000 0.000000 0.144839 Eu\n0.147986 0.162831 0.248049 Eu\n0.662831 0.352014 0.248049 Eu\n0.337169 0.647986 0.248049 Eu\n0.852014 0.837169 0.248049 Eu\n0.837169 0.147986 0.751951 Eu\n0.352014 0.337169 0.751951 Eu\n0.647986 0.662831 0.751951 Eu\n0.162831 0.852014 0.751951 Eu\n0.000000 0.500000 0.855161 Eu\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.910816 0.292567 0.101743 F\n0.207433 0.410816 0.101743 F\n0.792567 0.589184 0.101743 F\n0.089184 0.707433 0.101743 F\n0.709805 0.095669 0.375391 F\n0.404331 0.209805 0.375391 F\n0.595669 0.790195 0.375391 F\n0.290195 0.904331 0.375391 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.095669 0.290195 0.624609 F\n0.790195 0.404331 0.624609 F\n0.209805 0.595669 0.624609 F\n0.904331 0.709805 0.624609 F\n0.292567 0.089184 0.898257 F\n0.589184 0.207433 0.898257 F\n0.410816 0.792567 0.898257 F\n0.707433 0.910816 0.898257 F\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 3.518827748079755,
"density_atomic": 0.0334661813950689,
"volume": 896.4273409580088,
"volume_molar": 17.99470542787214,
"formula_full": "Eu10 F20",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.5206083340874,
"spacegroup": 85
},
{
"id": "oqmd-1560919",
"created_at": "2022-09-04T15:57:20.657013Z",
"updated_at": "2022-09-04T15:57:20.657034Z",
"structure_string": "Yb1 Eu1 F4\n1.0\n3.743233 0.000000 0.000000\n0.000000 3.743233 0.000000\n0.000000 0.000000 5.299825\nEu F Yb\n1 4 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.500000 0.000000 0.240383 F\n0.000000 0.500000 0.240383 F\n0.500000 0.000000 0.759617 F\n0.000000 0.500000 0.759617 F\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"F",
"Yb"
],
"chemical_system": "Eu-F-Yb",
"density": 8.966761809065215,
"density_atomic": 0.08079714203362545,
"volume": 74.26005238530556,
"volume_molar": 7.453408138488064,
"formula_full": "Yb1 Eu1 F4",
"formula_reduced": "YbEuF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.517150876087404,
"spacegroup": 123
},
{
"id": "oqmd-1554623",
"created_at": "2022-09-04T15:57:00.355419Z",
"updated_at": "2022-09-04T15:57:00.355459Z",
"structure_string": "Yb1 Eu1 F4\n1.0\n3.743233 0.000000 0.000000\n0.000000 3.743233 0.000000\n0.000000 0.000000 5.299825\nEu F Yb\n1 4 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.500000 0.000000 0.240383 F\n0.000000 0.500000 0.240383 F\n0.500000 0.000000 0.759617 F\n0.000000 0.500000 0.759617 F\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"F",
"Yb"
],
"chemical_system": "Eu-F-Yb",
"density": 8.966761809065215,
"density_atomic": 0.08079714203362545,
"volume": 74.26005238530556,
"volume_molar": 7.453408138488064,
"formula_full": "Yb1 Eu1 F4",
"formula_reduced": "YbEuF4",
"formula_anonymous": "ABC4",
"formation_energy": -4.517150869420738,
"spacegroup": 123
},
{
"id": "oqmd-1449971",
"created_at": "2022-09-04T15:51:00.267242Z",
"updated_at": "2022-09-04T15:51:00.267279Z",
"structure_string": "Yb4 F8\n1.0\n3.469785 0.000000 0.000000\n0.000000 5.442627 0.000000\n0.000000 0.000000 6.802642\nF Yb\n8 4\ndirect\n0.000976 0.100027 0.069538 F\n0.500882 0.777637 0.173978 F\n0.499118 0.277637 0.326022 F\n0.999024 0.600027 0.430462 F\n0.499024 0.899973 0.569538 F\n0.999118 0.222363 0.673978 F\n0.000882 0.722363 0.826022 F\n0.500976 0.399973 0.930462 F\n0.001192 0.500916 0.115441 Yb\n0.998808 0.000916 0.384559 Yb\n0.498808 0.499084 0.615441 Yb\n0.501192 0.999084 0.884559 Yb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"F",
"Yb"
],
"chemical_system": "F-Yb",
"density": 10.911351382993216,
"density_atomic": 0.09340981090526065,
"volume": 128.46616306900353,
"volume_molar": 6.44701097415544,
"formula_full": "Yb4 F8",
"formula_reduced": "YbF2",
"formula_anonymous": "AB2",
"formation_energy": -4.492532531087405,
"spacegroup": 62
},
{
"id": "oqmd-1442470",
"created_at": "2022-09-04T15:50:41.871405Z",
"updated_at": "2022-09-04T15:50:41.871431Z",
"structure_string": "Ac2 F6\n1.0\n2.099324 -3.645599 0.000000\n2.099324 3.645599 0.000000\n0.000000 0.000000 7.395821\nAc F\n2 6\ndirect\n0.167371 0.832627 0.250001 Ac\n0.832627 0.167371 0.750001 Ac\n0.833575 0.166423 0.083040 F\n0.500192 0.499806 0.250001 F\n0.833575 0.166423 0.416960 F\n0.166423 0.833575 0.583040 F\n0.499806 0.500192 0.750001 F\n0.166423 0.833575 0.916961 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"F"
],
"chemical_system": "Ac-F",
"density": 8.33154133446426,
"density_atomic": 0.0706683957830266,
"volume": 113.20477720426011,
"volume_molar": 8.52168878785617,
"formula_full": "Ac2 F6",
"formula_reduced": "AcF3",
"formula_anonymous": "AB3",
"formation_energy": -4.48983200122333,
"spacegroup": 194
},
{
"id": "oqmd-5229",
"created_at": "2022-09-04T15:17:25.101165Z",
"updated_at": "2022-09-04T15:17:25.101183Z",
"structure_string": "La6 F18\n1.0\n7.075548 -0.000022 0.000000\n-3.537793 6.127594 0.000000\n0.000000 0.000000 7.247679\nF La\n18 6\ndirect\n0.282690 0.000000 0.074657 F\n0.000000 0.282692 0.074657 F\n0.717306 0.717307 0.074658 F\n0.666667 0.333334 0.192877 F\n0.333333 0.666667 0.192877 F\n0.000000 0.000000 0.319213 F\n0.374135 0.000000 0.411363 F\n0.000000 0.374135 0.411363 F\n0.625865 0.625865 0.411363 F\n0.717308 0.000000 0.574657 F\n0.000000 0.717309 0.574657 F\n0.282694 0.282694 0.574658 F\n0.666666 0.333332 0.692877 F\n0.333333 0.666667 0.692877 F\n0.000000 0.000000 0.819213 F\n0.625866 0.000000 0.911363 F\n0.374135 0.374135 0.911363 F\n0.000000 0.625864 0.911363 F\n0.672819 0.000000 0.243323 La\n0.000000 0.672819 0.243323 La\n0.327183 0.327183 0.243325 La\n0.327181 0.000000 0.743323 La\n0.000000 0.327181 0.743323 La\n0.672816 0.672816 0.743325 La\n",
"nsites": 24,
"nelements": 2,
"elements": [
"F",
"La"
],
"chemical_system": "F-La",
"density": 6.211379382131544,
"density_atomic": 0.07637707238639847,
"volume": 314.23042609674593,
"volume_molar": 7.884749404289089,
"formula_full": "La6 F18",
"formula_reduced": "LaF3",
"formula_anonymous": "AB3",
"formation_energy": -4.47923356268166,
"spacegroup": 185
},
{
"id": "oqmd-1748857",
"created_at": "2022-09-04T16:02:41.589589Z",
"updated_at": "2022-09-04T16:02:41.589610Z",
"structure_string": "Eu2 F4\n1.0\n3.520597 0.000000 0.000000\n0.000000 3.520597 0.000000\n0.000000 0.000000 5.985965\nEu F\n2 4\ndirect\n0.000000 0.500000 0.244139 Eu\n0.500000 0.000000 0.755861 Eu\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.363818 F\n0.000000 0.500000 0.636182 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 8.503080592320629,
"density_atomic": 0.08086944229503171,
"volume": 74.19366116203099,
"volume_molar": 7.4467445169582644,
"formula_full": "Eu2 F4",
"formula_reduced": "EuF2",
"formula_anonymous": "AB2",
"formation_energy": -4.478195277754071,
"spacegroup": 129
}
]
}