Geometry

Info

ID:

13112

ICSD:

38157

Name:

Nickel titanate

Comp.:

Ni1O3Ti1

Symm.:

R-3R(148)

Latt.:

rhombohedral

Spin:

3.957

Eg/Eg':

3.329/3.296 eV

me/mh:

441.775/-228.568

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