Geometry

Info

ID:

7230

ICSD:

626233

Name:

Chromium lithium sulfide (1/1/2)

Comp.:

Cr1Li1S2

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 2.791

Eg/Eg':

1.255/1.012 eV

me/mh:

33.589/39.135

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