Geometry

Info

ID:

11225

ICSD:

68533

Name:

Potassium molybdenum oxide (1/4/6) - II

Comp.:

K1Mo4O6

Symm.:

 P4/mbm(127)

Latt.:

 tetragonal

Spin:

 1.927

Eg/Eg':

1.152/None eV

me/mh:

4.313/41.101

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands