Geometry

Info

ID:

4452

ICSD:

35225

Name:

Thallium iron bromide

Comp.:

Br3Fe1Tl1

Symm.:

 P63cm(185)

Latt.:

 hexagonal

Spin:

 22.701

Eg/Eg':

2.450/None eV

me/mh:

12.227/-23.436

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands