Geometry

Info

ID:

12794

ICSD:

431533

Name:

Sodium yttrium hexathiodiphosphate

Comp.:

Na1P2S6Y1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

2.749/2.624 eV

me/mh:

-247.364/-32.790

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