Crystal Lab › Prototype structures › Hexagonal
Cu₃P
Hexagonal · space group P63cm (No. 185) · Pearson hP24
Symmetry elements and Wyckoff positions (interactive)
Cu₃P in P63cm
SettingUnit cell
- Lattice constants
- a = 6.959 Å, b = 6.959 Å, c = 7.143 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 299.6 ų
- Atoms in the conventional cell
- 24 (Cu 18, P 6)
- Formula units Z
- 6
- Pearson symbol
- hP24 — hexagonal / trigonal, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu1 | Cu | 2a | 2 | 0.0000 | 0.0000 | 0.3213 |
| Cu2 | Cu | 4b | 4 | 0.3333 | 0.6667 | 0.1998 |
| Cu3 | Cu | 6c | 6 | 0.2806 | 0.0000 | 0.0765 |
| Cu4 | Cu | 6c | 6 | 0.3761 | 0.0000 | 0.4246 |
| P5 | P | 6c | 6 | 0.3322 | 0.0000 | 0.7500 |
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 24 atoms drawn above are these sites multiplied by all 12 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
A3B_hP24_185_ab2c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP24, then the space-group number 185, then the Wyckoff letters occupied by each element in turn (Cu: 2a; Cu: 4b; Cu: 6c; Cu: 6c; P: 6c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Mg₃Au, Mg₃Ir, Mg₃Pt, Na₃As <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_hP24_185_ab2c_c-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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