Geometry

Info

ID:

10413

ICSD:

24774

Name:

Mercury peroxide - beta, HT

Comp.:

Hg1O2

Symm.:

Pbca(61)

Latt.:

orthorhombic

Spin:

0.000

Eg/Eg':

0.717/0.523 eV

me/mh:

-113.581/47.724

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands