Geometry

Info

ID:

6111

ICSD:

194900

Name:

Comp.:

Cl1Cs1Fe3K2O14P4

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 11.623

Eg/Eg':

4.405/4.185 eV

me/mh:

-19.042/50.104

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands