Geometry

Info

ID:

3667

ICSD:

391435

Name:

Tetrabarium oxide hexabromide

Comp.:

Ba4Br6O1

Symm.:

 P63mc(186)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

4.175/4.111 eV

me/mh:

12.458/None

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