Crystal Lab › Prototype structures › Hexagonal
Nb₃Te₄
Hexagonal · space group P63/m (No. 176) · Pearson hP14
Symmetry elements and Wyckoff positions (interactive)
Nb₃Te₄ in P63/m
SettingUnit cell
- Lattice constants
- a = 10.671 Å, b = 10.671 Å, c = 3.647 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 359.6 ų
- Atoms in the conventional cell
- 14 (Te 8, Nb 6)
- Formula units Z
- 2
- Pearson symbol
- hP14 — hexagonal / trigonal, primitive lattice, 14 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Te2 | Te | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Nb1 | Nb | 6h | 6 | 0.4886 | 0.1039 | 0.2500 |
| Te3 | Te | 6h | 6 | 0.3389 | 0.2731 | 0.2500 |
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 14 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
A3B4_hP14_176_h_ch-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP14, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Te: 2c; Nb: 6h; Te: 6h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Nb₃S₄, Nb₃Se₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B4_hP14_176_h_ch-002 (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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