Geometry

Info

ID:

9036

ICSD:

632443

Name:

Iron lithium sulfide (1/2/2)

Comp.:

Fe1Li2S2

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

3.734

Eg/Eg':

3.428/2.901 eV

me/mh:

18.484/-24.974

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