Geometry

Info

ID:

4852

ICSD:

81013

Name:

Sodium carbonate - alpha, HT

Comp.:

C1Na2O3

Symm.:

P63/mmc(194)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

3.126/None eV

me/mh:

2.794/-7.808

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