Geometry

Info

ID:

7300

ICSD:

56835

Name:

Chromium tetrathiophosphate(V)

Comp.:

Cr1P1S4

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 11.061

Eg/Eg':

1.190/1.055 eV

me/mh:

471.780/-39.035

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands