Geometry

Info

ID:

9175

ICSD:

42726

Name:

Iron sulfide (1/2)

Comp.:

Fe1S2

Symm.:

 Pnn2(34)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

1.154/0.876 eV

me/mh:

544.703/137.424

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