Geometry

Info

ID:

13921

ICSD:

67559

Name:

Scandium tetrathiophosphate

Comp.:

P1S4Sc1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

1.912/1.878 eV

me/mh:

158.194/-37.525

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