Geometry

Info

ID:	3045
ICSD:	23081
Name:	Barium diiron(III) sulfide - beta
Comp.:	Ba1Fe2S4
Symm.:	I4/m(87)
Latt.:	tetragonal
Spin:	3.419
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: -0.5 0.5 0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands