Geometry

Info

ID:

13503

ICSD:

242106

Name:

Titanium dioxide

Comp.:

O2Ti1

Symm.:

 I41/amdZ(141)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.627/2.447 eV

me/mh:

19.794/-7.183

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands