Geometry

Info

ID:

13111

ICSD:

190004

Name:

Selenium(IV) nickel trioxide

Comp.:

Ni1O3Se1

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 7.886

Eg/Eg':

4.171/3.950 eV

me/mh:

72.220/225.640

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

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

DOS

Bands