Geometry

Info

ID:

9327

ICSD:

633456

Name:

Scandium iron silicide (1/2/2)

Comp.:

Fe2Sc1Si2

Symm.:

 Pbcm(57)

Latt.:

 orthorhombic

Spin:

 4.245

Eg/Eg':

0.435/0.373 eV

me/mh:

728.727/-65.630

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