Geometry

Info

ID:

11887

ICSD:

166164

Name:

Lithium titanium(III) diphosphate(V)

Comp.:

Li1O7P2Ti1

Symm.:

P1211(4)

Latt.:

monoclinic

Spin:

1.818

Eg/Eg':

0.218/0.218 eV

me/mh:

-138.212/-218.515

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

DOS

Bands