Geometry

Info

ID:

3644

ICSD:

240281

Name:

Tribarium nickel ditantalate

Comp.:

Ba3Ni1O9Ta2

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 2.000

Eg/Eg':

3.615/3.438 eV

me/mh:

4.882/90.798

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands