Geometry

Info

ID:

14653

ICSD:

651219

Name:

Titanium sulfide (1/3)

Comp.:

S3Ti1

Symm.:

 P121/m1(11)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

0.229/0.204 eV

me/mh:

12.821/-33.982

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