Geometry

Info

ID:

7301

ICSD:

626520

Name:

Chromium terathiophosphate (1/4/1)

Comp.:

Cr1P1S4

Symm.:

 C121(5)

Latt.:

 monoclinic

Spin:

 11.054

Eg/Eg':

1.195/1.060 eV

me/mh:

171.856/-41.292

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