Geometry

Info

ID:

6424

ICSD:

30558

Name:

Cyclo-tris(thiazylchloride)

Comp.:

Cl3N3S3

Symm.:

 P121/m1(11)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

2.686/2.667 eV

me/mh:

-20.558/-62.189

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands