Geometry

Info

ID:

4372

ICSD:

409571

Name:

Iron bromide

Comp.:

Br2Fe1

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 3.806

Eg/Eg':

3.410/3.377 eV

me/mh:

10.709/44.599

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