Geometry

Info

ID:	14836
ICSD:	37121
Name:	Thallium octaselenopentatitanate(III)
Comp.:	Se8Ti5Tl1
Symm.:	C12/m1(12)
Latt.:	monoclinic
Spin:	2.861
E_g/E_g':	None/None eV
m_e/m_h:	None/None

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