Geometry

Info

ID:

13838

ICSD:

68335

Name:

Trizirconium pentaoxide sulfate

Comp.:

O9S1Zr3

Symm.:

P-3(147)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

3.977/3.940 eV

me/mh:

64.809/-67.891

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands