Geometry

Info

ID:

13500

ICSD:

171670

Name:

Titanium oxide - beta

Comp.:

O2Ti1

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

2.750/2.683 eV

me/mh:

9.786/-66.065

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