Geometry

Info

ID:

3213

ICSD:

30661

Name:

Barium niccolate(IV)

Comp.:

Ba1Ni1O3

Symm.:

 P63/mmc(194)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

1.561/1.540 eV

me/mh:

264.954/-14.057

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