Geometry

Info

ID:

13982

ICSD:

195312

Name:

Thallium scandium heptathiodiphosphate

Comp.:

P2S7Sc1Tl1

Symm.:

 C121(5)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

2.234/None eV

me/mh:

56.616/-75.540

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands