Geometry

Info

ID:

12538

ICSD:

59999

Name:

Zirconium bis(molybdate) - alpha

Comp.:

Mo2O8Zr1

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

3.418/3.400 eV

me/mh:

5.458/-503.117

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