Symmetry elements and Wyckoff positions (interactive)
Al₁₂W in Im-3
SettingUnit cell
- Lattice constants
- a = 7.580 Å, b = 7.580 Å, c = 7.580 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 435.5 ų
- Atoms in the conventional cell
- 26 (W 2, Al 24)
- Formula units Z
- 2
- Pearson symbol
- cI26 — cubic, body-centred lattice, 26 atoms per conventional cell
- Symmetry operations
- 48 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| W2 | W | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Al1 | Al | 24g | 24 | 0.0000 | 0.1840 | 0.6910 |
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 26 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
A12B_cI26_204_g_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI26, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (W: 2a; Al: 24g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Al₁₂Mo, Al₁₂Mn, Al₁₂Re, Al₁₂Te <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A12B_cI26_204_g_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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