Geometry

Info

ID:

10696

ICSD:

391406

Name:

Tantalum(IV) iodide

Comp.:

I4Ta1

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.000

Eg/Eg':

0.620/0.549 eV

me/mh:

-868.375/-76.705

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands