Geometry

Info

ID:

3592

ICSD:

97539

Name:

Tribarium chromium(IV) sulfide

Comp.:

Ba3Cr1S5

Symm.:

P63cm(185)

Latt.:

hexagonal

Spin:

5.523

Eg/Eg':

None/None eV

me/mh:

None/None

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