Geometry

Info

ID:

5040

ICSD:

432067

Name:

Copper(I) dicyanamide

Comp.:

C2Cu1N3

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.644/2.504 eV

me/mh:

2.572/-13.726

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

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

DOS

Bands