Geometry

Info

ID:	10698
ICSD:	39820
Name:	Titanium iodide - alpha
Comp.:	I4Ti1
Symm.:	C12/c1(15)
Latt.:	monoclinic
Spin:	0.000
E_g/E_g':	1.280/1.177 eV
m_e/m_h:	None/-30.198

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