Geometry

Info

ID:

6781

ICSD:

159792

Name:

Lithium cobalt oxide (0.5/1/2)

Comp.:

Co1Li0.5O2

Symm.:

 P12/m1(10)

Latt.:

 monoclinic

Spin:

 4.868

Eg/Eg':

1.212/0.959 eV

me/mh:

13.663/-25.233

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands