Crystal Lab › Prototype structures › Cubic
Ce₈Pd₂₄Sb
Cubic · space group Pm-3m (No. 221) · Pearson cP33
Symmetry elements and Wyckoff positions (interactive)
Ce₈Pd₂₄Sb in Pm-3m
SettingUnit cell
- Lattice constants
- a = 8.461 Å, b = 8.461 Å, c = 8.461 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 605.7 ų
- Atoms in the conventional cell
- 33 (Sb 1, Pd 24, Ce 8)
- Formula units Z
- 1
- Pearson symbol
- cP33 — cubic, primitive lattice, 33 atoms per conventional cell
- Symmetry operations
- 48 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sb5 | Sb | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Pd2 | Pd | 6e | 6 | 0.3112 | 0.0000 | 0.0000 |
| Pd3 | Pd | 6f | 6 | 0.2555 | 0.5000 | 0.5000 |
| Ce1 | Ce | 8g | 8 | 0.2514 | 0.2514 | 0.2514 |
| Pd4 | Pd | 12h | 12 | 0.2667 | 0.5000 | 0.0000 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 33 atoms drawn above are these sites multiplied by all 48 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A8B24C_cP33_221_g_efh_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP33, then the space-group number 221, then the Wyckoff letters occupied by each element in turn (Sb: 1a; Pd: 6e; Pd: 6f; Ce: 8g; Pd: 12h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B24C_cP33_221_g_efh_a-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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