Geometry

Info

ID:

3230

ICSD:

180398

Name:

Barium peroxide - HP

Comp.:

Ba1O2

Symm.:

 Cmmm(65)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.267/2.184 eV

me/mh:

3.556/-5.484

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands