Geometry

Info

ID:

6124

ICSD:

88032

Name:

Chlorocopper lanthanum diniobate

Comp.:

Cl1Cu1La1Nb2O7

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.954/1.319 eV

me/mh:

4.605/-4.651

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