Geometry

Info

ID:

3214

ICSD:

89641

Name:

Diyttrium barium nickel oxide

Comp.:

Ba1Ni1O5Y2

Symm.:

 Immm(71)

Latt.:

 orthorhombic

Spin:

 0.003

Eg/Eg':

3.095/2.481 eV

me/mh:

44.017/13.689

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 0.5 -0.5

DOS

Bands