Geometry

Info

ID:	3673
ICSD:	280584
Name:	Tetrabarium oxide hexaiodide
Comp.:	Ba4I6O1
Symm.:	P63mc(186)
Latt.:	hexagonal
Spin:	0.000
E_g/E_g':	4.014/4.000 eV
m_e/m_h:	None/-76.009

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands