Geometry

Info

ID:

8675

ICSD:

250498

Name:

Phosphorus oxide trifluoride

Comp.:

F3O1P1

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

5.855/5.754 eV

me/mh:

3.444/244.342

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands