Geometry

Info

ID:

3186

ICSD:

155141

Name:

Barium molybdate - HP

Comp.:

Ba1Mo1O4

Symm.:

 I12/a1(15)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

4.499/4.498 eV

me/mh:

-334.760/-80.713

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