Geometry

Info

ID:

5221

ICSD:

169760

Name:

Nickel zinc tetracyanide

Comp.:

C4N4Ni1Zn1

Symm.:

 P42/mcm(132)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.218/3.140 eV

me/mh:

247.127/-204.286

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