Geometry

Info

ID:

874

ICSD:

100130

Name:

Thallium diselenoaluminate

Comp.:

Al1Se2Tl1

Symm.:

 I4/mcm(140)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

0.630/0.583 eV

me/mh:

2.340/22.039

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