Geometry

Info

ID:

3689

ICSD:

16028

Name:

Pentabarium tetratantalum oxide

Comp.:

Ba5O15Ta4

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

3.107/3.073 eV

me/mh:

5.370/-15.863

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