Geometry

Info

ID:

3477

ICSD:

615850

Name:

Barium iron sulfide (2/1/3)

Comp.:

Ba2Fe1S3

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 14.096

Eg/Eg':

1.510/None eV

me/mh:

3.846/-13.602

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