Geometry

Info

ID:

9134

ICSD:

633086

Name:

Iron phosphide sulfide (1/1/1)

Comp.:

Fe1P1S1

Symm.:

 P121/c1(14)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

0.853/0.654 eV

me/mh:

48.241/-96.075

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands