Geometry

Info

ID:

13924

ICSD:

171214

Name:

Thallium titanium pentathiophosphate

Comp.:

P1S5Ti1Tl1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

1.178/1.121 eV

me/mh:

17.236/-40.479

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