Geometry

Info

ID:

6126

ICSD:

40808

Name:

Distrontium copper(I) dioxide chloride

Comp.:

Cl1Cu1O2Sr2

Symm.:

P3121(152)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

2.545/2.321 eV

me/mh:

20.344/143.547

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands