Geometry

Info

ID:

3470

ICSD:

21056

Name:

Dibarium nickel fluoride

Comp.:

Ba2F6Ni1

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 3.958

Eg/Eg':

6.199/5.671 eV

me/mh:

1.349/-1103.039

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