Geometry

Info

ID:

2497

ICSD:

10196

Name:

Thallium borate

Comp.:

B1O3Tl3

Symm.:

P63/m(176)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

1.454/1.360 eV

me/mh:

8.990/-16.952

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