Geometry

Info

ID:

8990

ICSD:

26423

Name:

Thallium iron triiodide

Comp.:

Fe1I3Tl1

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 14.738

Eg/Eg':

2.174/1.921 eV

me/mh:

15.617/-23.596

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands