Geometry

Info

ID:

6281

ICSD:

64831

Name:

Iron chloride - hp

Comp.:

Cl2Fe1

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 3.838

Eg/Eg':

4.214/4.146 eV

me/mh:

3.168/249.193

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