Geometry

Info

ID:

3291

ICSD:

426771

Name:

Barium triphosphide

Comp.:

Ba1P3

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

0.768/0.602 eV

me/mh:

4.853/-25.460

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands