Geometry

Info

ID:

964

ICSD:

607619

Name:

Iron aluminium sulfide (1/2/4)

Comp.:

Al2Fe1S4

Symm.:

 R3mH(160)

Latt.:

 rhombohedral

Spin:

 11.064

Eg/Eg':

1.150/1.006 eV

me/mh:

-12.511/-3.812

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands