Geometry

Info

ID:

3211

ICSD:

30660

Name:

Nickel barium oxide

Comp.:

Ba1Ni1O2

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 0.014

Eg/Eg':

2.381/2.367 eV

me/mh:

17.969/749.960

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands