Geometry

Info

ID:

11254

ICSD:

38138

Name:

Potassium peroxide - alpha

Comp.:

K1O2

Symm.:

 F4/mmm(139)

Latt.:

 tetragonal

Spin:

 3.320

Eg/Eg':

4.538/4.507 eV

me/mh:

9.836/-47.996

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