Geometry

Info

ID:	4470
ICSD:	413690
Name:	Molybdenum(III)tribromide
Comp.:	Br3Mo1
Symm.:	PnmmZ(59)
Latt.:	orthorhombic
Spin:	7.128
E_g/E_g':	0.755/0.656 eV
m_e/m_h:	7.021/1665.562

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