Geometry

Info

ID:

13891

ICSD:

2331

Name:

Palladium phosphide sulfide (1/1/1)

Comp.:

P1Pd1S1

Symm.:

Pbcn(60)

Latt.:

orthorhombic

Spin:

0.000

Eg/Eg':

1.336/1.202 eV

me/mh:

-228.716/1000.079

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