Geometry

Info

ID:

12944

ICSD:

51146

Name:

Niobium oxide phosphate(V)

Comp.:

Nb1O5P1

Symm.:

 P4/nZ(85)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.317/3.133 eV

me/mh:

-71.799/42.740

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