Geometry

Info

ID:

11222

ICSD:

641249

Name:

Potassium molybdenum sulfide (1/3/3)

Comp.:

K1Mo3S3

Symm.:

P63/m(176)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

1.523/1.239 eV

me/mh:

14.102/-7.288

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