Geometry

Info

ID:

2560

ICSD:

412516

Name:

Barium tetrathiodiborate

Comp.:

B2Ba1S4

Symm.:

C1c1(9)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

2.824/2.778 eV

me/mh:

-152.895/-22.544

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