Geometry

Info

ID:

10701

ICSD:

62243

Name:

Zirconium tetraiodide - gamma

Comp.:

I4Zr1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

1.758/1.691 eV

me/mh:

59.154/-14.724

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