Geometry

Info

ID:

1331

ICSD:

31787

Name:

Thiodithiazyl hexafluoroarsenate

Comp.:

As1F6N2S3

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

1.282

Eg/Eg':

0.918/None eV

me/mh:

210.567/-58.441

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands