Geometry

Info

ID:

10682

ICSD:

35317

Name:

Zirconium(III) iodide

Comp.:

I3Zr1

Symm.:

 P63/mcm(193)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

0.664/0.560 eV

me/mh:

66.089/-5.797

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