Geometry

Info

ID:

6294

ICSD:

69688

Name:

Tantalum diiodide dichloride

Comp.:

Cl2I2Ta1

Symm.:

 Immm(71)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

1.126/1.120 eV

me/mh:

20.803/-28.938

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 0.5 -0.5

DOS

Bands