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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Te2Te2c20.33330.66670.2500
Nb1Nb6h60.48860.10390.2500
Te3Te6h60.33890.27310.2500

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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