Geometry

Info

ID:

7507

ICSD:

191592

Name:

Cesium iron dimolybdate

Comp.:

Cs1Fe1Mo2O8

Symm.:

 P-3(147)

Latt.:

 hexagonal

Spin:

 4.919

Eg/Eg':

4.654/4.536 eV

me/mh:

923.905/557.779

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