Geometry

Info

ID:

12942

ICSD:

36626

Name:

Niobium oxide phosphate

Comp.:

Nb1O5P1

Symm.:

 Pna21(33)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.303/None eV

me/mh:

154.076/280.404

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands