Geometry

Info

ID:

13990

ICSD:

195331

Name:

Thallium yttrium hexaselenodiphosphate(IV)

Comp.:

P2Se6Tl1Y1

Symm.:

P1211(4)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

1.577/1.475 eV

me/mh:

25.796/-17.940

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