Geometry

Info

ID:

5497

ICSD:

619462

Name:

Calcium peroxide

Comp.:

Ca1O2

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.984/2.852 eV

me/mh:

4.407/-31.607

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