Geometry

Info

ID:

8337

ICSD:

193472

Name:

Tricopper diniobate

Comp.:

Cu3Nb2O8

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.949

Eg/Eg':

0.789/0.723 eV

me/mh:

79.726/-122.865

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands