Geometry

Info

ID:

3228

ICSD:

24729

Name:

Barium peroxide

Comp.:

Ba1O2

Symm.:

 F4/mmm(139)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.230/None eV

me/mh:

4.750/-47.333

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