Geometry

Info

ID:

7816

ICSD:

30116

Name:

Copper hexafluorozirconate - beta, HT

Comp.:

Cu1F6Zr1

Symm.:

R-3R(148)

Latt.:

rhombohedral

Spin:

0.990

Eg/Eg':

5.335/None eV

me/mh:

-4689.662/152.597

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands