Geometry

Info

ID:

13105

ICSD:

88720

Name:

Nickel(IV) oxide

Comp.:

Ni1O2

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.001

Eg/Eg':

1.626/1.383 eV

me/mh:

-31.791/-58.505

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands