Geometry

Info

ID:

6417

ICSD:

83878

Name:

Molybdenum(III) chloride - alpha

Comp.:

Cl3Mo1

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 7.141

Eg/Eg':

1.128/1.120 eV

me/mh:

-1757.084/217.746

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