Geometry

Info

ID:

12671

ICSD:

96971

Name:

Dizirconium dinitride sulfide - beta

Comp.:

N2S1Zr2

Symm.:

P63/mmc(194)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

1.806/0.914 eV

me/mh:

8.230/-2.957

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