Geometry

Info

ID:

3678

ICSD:

33906

Name:

Tetrabarium diphosphide oxide

Comp.:

Ba4O1P2

Symm.:

Abma(64)

Latt.:

orthorhombic

Spin:

0.000

Eg/Eg':

0.969/None eV

me/mh:

7.739/-89.261

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands