Geometry

Info

ID:

12498

ICSD:

169098

Name:

Molybdenum(V) oxide phosphate

Comp.:

Mo1O5P1

Symm.:

 C1c1(9)

Latt.:

 monoclinic

Spin:

 3.922

Eg/Eg':

1.587/1.471 eV

me/mh:

-110.490/-31.691

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