Geometry

Info

ID:

9174

ICSD:

41401

Name:

Iron sulfide (1/2)

Comp.:

Fe1S2

Symm.:

 Pca21(29)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

0.904/None eV

me/mh:

10.646/-106.586

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