Geometry

Info

ID:

3426

ICSD:

21057

Name:

Dibarium cobalt fluoride

Comp.:

Ba2Co1F6

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 5.929

Eg/Eg':

5.641/4.644 eV

me/mh:

1.307/-99.424

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands