CrystOD
Symmetry-Adapted Linear Combination (SALC) viewer
SALC: Ce_f at GAMMA [0.0, 0.0, 0.0]
Structure
Compound
CeO2
Space group
Fm-3m (#225)
Orbitals
Ce_f
k point
GAMMA [0.0, 0.0, 0.0]
Display cell
conventional (F centring), 1 x 1 x 1 cells
Bonds
Ce–O ≤ 3 Å
Basis form
real coefficients
Irreps of SALC
1.0 [GM2-(1)] + 1.0 [GM4-(3)] + 1.0 [GM5-(3)]
SALC basis (click to show)
Mode
Irrep
Comp.
1
GM2-(1)
1
2
GM4-(3)
1
2
GM4-(3)
2
2
GM4-(3)
3
3
GM5-(3)
1
3
GM5-(3)
2
3
GM5-(3)
3
Display
Lobe opacity
show cell edges & abc axes
show atoms
show bonds
show polyhedra
Viewer layout inspired by the
phonon website
by Henrique Miranda (BSD-3-Clause). 3D rendering by plotly.
If you use CrystOD in your research, please cite: H. Koiso and Y. Mochizuki
et al.
,
Phys. Rev. B
110
, 064104 (2024)
.