Geometry

Info

ID:

838

ICSD:

428185

Name:

Aluminium thiophosphate

Comp.:

Al1P1S4

Symm.:

 I222(23)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

3.044/2.925 eV

me/mh:

None/None

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 0.5 -0.5

DOS

Bands