Geometry

Info

ID:

7207

ICSD:

91754

Name:

Potassium chromium heptathiodiphosphate(V)

Comp.:

Cr1K1P2S7

Symm.:

C121(5)

Latt.:

monoclinic

Spin:

5.501

Eg/Eg':

1.528/1.452 eV

me/mh:

-93.303/-81.004

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