Geometry

Info

ID:

13723

ICSD:

87281

Name:

Tantalum oxide phosphate(V) - HP

Comp.:

O5P1Ta1

Symm.:

 P4/nS(85)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

4.165/3.880 eV

me/mh:

-60.182/-40.454

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