Geometry

Info

ID:	9100
ICSD:	29011
Name:	Thallium iron(III) oxide
Comp.:	Fe1O2Tl1
Symm.:	R-3mH(166)
Latt.:	rhombohedral
Spin:	28.928
E_g/E_g':	1.288/1.143 eV
m_e/m_h:	None/-9.455

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands