Geometry

Info

ID:

4996

ICSD:

411190

Name:

Calcium acetylide

Comp.:

C2Ca1

Symm.:

C12/m1(12)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

2.656/2.480 eV

me/mh:

-367.465/-230.126

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands