Geometry

Info

ID:

6551

ICSD:

26661

Name:

Phosphorus(V) chloride

Comp.:

Cl5P1

Symm.:

 P4/nZ(85)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.801/None eV

me/mh:

28.577/88.747

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands