Geometry

Info

ID:

7961

ICSD:

4201

Name:

Trilithium copper(III) oxide

Comp.:

Cu1Li3O3

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.291/1.146 eV

me/mh:

-89.300/-182.821

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands