Geometry

Info

ID:

7231

ICSD:

252879

Name:

Lithium chromium selenide (1/1/2)

Comp.:

Cr1Li1Se2

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 2.824

Eg/Eg':

1.056/0.746 eV

me/mh:

32.299/-13.967

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