Geometry

Info

ID:

5545

ICSD:

90927

Name:

Calcium tetravanadate(IV)

Comp.:

Ca1O9V4

Symm.:

P4/nZ(85)

Latt.:

tetragonal

Spin:

7.732

Eg/Eg':

2.547/2.536 eV

me/mh:

569.638/556.674

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands