Geometry

Info

ID:

13129

ICSD:

247807

Name:

Nickel ditantalate

Comp.:

Ni1O6Ta2

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 3.942

Eg/Eg':

2.939/2.929 eV

me/mh:

11.826/-17.524

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