Geometry

Info

ID:

3006

ICSD:

41651

Name:

Barium fluoride - HP

Comp.:

Ba1F2

Symm.:

 Pnam(62)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

5.950/5.852 eV

me/mh:

-29.711/19.398

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