Geometry

Info

ID:	9177
ICSD:	150822
Name:	Thallium iron(III) sulfide
Comp.:	Fe1S2Tl1
Symm.:	I-4m2(119)
Latt.:	tetragonal
Spin:	4.036
E_g/E_g':	None/None eV
m_e/m_h:	None/None

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