Geometry

Info

ID:

10494

ICSD:

2490

Name:

Mercury heptathiodiphosphate

Comp.:

Hg2P2S7

Symm.:

C121(5)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

2.023/1.850 eV

me/mh:

19.258/-19.215

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