Crystal Lab › Prototype structures › Trigonal
V₆C₅
Trigonal · space group P3112 (No. 151) · Pearson hP33
Symmetry elements and Wyckoff positions (interactive)
V₆C₅ in P3112
SettingUnit cell
- Lattice constants
- a = 5.090 Å, b = 5.090 Å, c = 14.400 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 323.1 ų
- Atoms in the conventional cell
- 33 (C 15, V 18)
- Formula units Z
- 3
- Pearson symbol
- hP33 — hexagonal / trigonal, primitive lattice, 33 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| C1 | C | 3a | 3 | 0.1111 | 0.8889 | 0.3333 |
| C2 | C | 3a | 3 | 0.4444 | 0.5556 | 0.3333 |
| C3 | C | 3a | 3 | 0.7778 | 0.2222 | 0.3333 |
| C4 | C | 3b | 3 | 0.4444 | 0.5556 | 0.8333 |
| C5 | C | 3b | 3 | 0.7778 | 0.2222 | 0.8333 |
| V6 | V | 6c | 6 | 0.1111 | 0.2222 | 0.9167 |
| V7 | V | 6c | 6 | 0.4444 | 0.8889 | 0.9167 |
| V8 | V | 6c | 6 | 0.7778 | 0.5556 | 0.9167 |
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 6 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
A5B6_hP33_151_3a2b_3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP33, then the space-group number 151, then the Wyckoff letters occupied by each element in turn (C: 3a; C: 3a; C: 3a; C: 3b; C: 3b; V: 6c; V: 6c; V: 6c). 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 A5B6_hP33_151_3a2b_3c-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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