Geometry

Info

ID:

8217

ICSD:

188111

Name:

Lithium copper oxide (1/2/2)

Comp.:

Cu2Li1O2

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 3.871

Eg/Eg':

1.704/None eV

me/mh:

6.517/-7.195

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

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

DOS

Bands