Geometry

Info

ID:

3640

ICSD:

30662

Name:

Nickel tribarium oxide

Comp.:

Ba3Ni1O4

Symm.:

 R-3cR(167)

Latt.:

 rhombohedral

Spin:

 3.887

Eg/Eg':

2.585/None eV

me/mh:

13.761/-43.879

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands