Geometry

Info

ID:

5345

ICSD:

32732

Name:

Lithium calcium nickel(III) fluoride

Comp.:

Ca1F6Li1Ni1

Symm.:

P-31c(163)

Latt.:

hexagonal

Spin:

5.892

Eg/Eg':

7.477/None eV

me/mh:

2.543/-644.441

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