Geometry

Info

ID:

5262

ICSD:

415547

Name:

Zinc bis(tetracyanoborate)

Comp.:

C8B2N8Zn1

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

5.456/5.410 eV

me/mh:

485.449/1463.042

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