Geometry

Info

ID:

14826

ICSD:

104188

Name:

Titanium zirconium selenide

Comp.:

Se4Ti1Zr1

Symm.:

P12/m1(10)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

0.612/0.359 eV

me/mh:

20.940/-27.077

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.0 0.5 B: 0.0 0.5 0.0 D: 0.5 0.5 0.0 A0: 0.0 0.5 0.5 Y: 0.0 0.0 0.5 Z: 0.5 0.0 0.0 E0: 0.5 0.5 0.5

DOS

Bands