Geometry

Info

ID:

6451

ICSD:

39427

Name:

Titanium(III) chloride - II

Comp.:

Cl3Ti1

Symm.:

 P312(149)

Latt.:

 hexagonal

Spin:

 5.074

Eg/Eg':

0.061/0.055 eV

me/mh:

-1930.226/177.344

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands