Geometry

Info

ID:

12497

ICSD:

36095

Name:

Molybdenum(V) oxide phosphate

Comp.:

Mo1O5P1

Symm.:

 P4/nS(85)

Latt.:

 tetragonal

Spin:

 1.953

Eg/Eg':

2.607/2.430 eV

me/mh:

16.516/279.296

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