Geometry

Info

ID:

10493

ICSD:

639130

Name:

Mercury phosphorus sulfide (2/2/6)

Comp.:

Hg2P2S6

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.000

Eg/Eg':

1.863/1.791 eV

me/mh:

35.503/-358.512

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