Geometry

Info

ID:

12575

ICSD:

62699

Name:

Thallium molybdenum oxide (1/6/17)

Comp.:

Mo6O17Tl1

Symm.:

P-3m1(164)

Latt.:

hexagonal

Spin:

2.991

Eg/Eg':

0.250/0.180 eV

me/mh:

None/None

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