Geometry

Info

ID:

13818

ICSD:

190109

Name:

Thallium tantalum diphosphate

Comp.:

O8P2Ta1Tl1

Symm.:

 P321(150)

Latt.:

 hexagonal

Spin:

 0.000

Eg/Eg':

0.336/0.313 eV

me/mh:

277.925/489.115

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