Geometry

Info

ID:

3

ICSD:

202045

Name:

Silver vanadium(III) phosphorus sulfide (.5/.5/1/3)

Comp.:

Ag0.5P1S3V0.5

Symm.:

P12/a1(13)

Latt.:

monoclinic

Spin:

3.384

Eg/Eg':

0.057/0.021 eV

me/mh:

-48.620/-741.258

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