Geometry

Info

ID:

7817

ICSD:

30117

Name:

Copper hexafluorozirconate - gamma

Comp.:

Cu1F6Zr1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.995

Eg/Eg':

4.880/4.879 eV

me/mh:

6561.144/-48.572

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