Geometry

Info

ID:

10679

ICSD:

422870

Name:

Titanium triiodide

Comp.:

I3Ti1

Symm.:

 PmnmS(59)

Latt.:

 orthorhombic

Spin:

 0.001

Eg/Eg':

0.376/0.363 eV

me/mh:

64.333/-243.157

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