Geometry

Info

ID:

12551

ICSD:

280130

Name:

Dizinc trimolybdate(IV)

Comp.:

Mo3O8Zn2

Symm.:

 P63mc(186)

Latt.:

 hexagonal

Spin:

 11.837

Eg/Eg':

1.605/1.570 eV

me/mh:

786.484/-19.317

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