Geometry

Info

ID:

3212

ICSD:

15761

Name:

Barium nickel(IV) oxide

Comp.:

Ba1Ni1O3

Symm.:

 P63mc(186)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

1.558/1.534 eV

me/mh:

256.398/-14.096

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