Tungsten Carbide (WC, $B_{h}$) Structure: AB_hP2_187_a_d-001
| Prototype | CW |
| AFLOW prototype label | AB_hP2_187_a_d-001 |
| Strukturbericht designation | $B_{h}$ |
| ICSD | 15406 |
| CCDC | 1596158 |
| Pearson symbol | hP2 |
| Space group number | 187 |
| Space group symbol | $P\overline{6}m2$ |
| AFLOW prototype command |
aflow --proto=AB_hP2_187_a_d-001
--params=$a, \allowbreak c/a$ |
Other compounds with this structure
AgN, AlSn, AuC, BIr, CdN, CrAs, CrC, CrN, HfC, HfS, HfSe, HfTe, IrB, IrC, IrN, LaC, MoC, MoN, MoP, NbC, NbN, NbS, OsB, OsC, PbS, PdN, PrN, PtC, ReB, ReC, ReN, RhN, RuC, RuN, TaAs, TaC, TaN, TaS, TcB, TcN, TeZr, TiO, TiS, TiSe, TiTe, VN, WC, WN, YN, ZrN, ZrS, ZrSe, ZrTe
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | C I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1d) | W I |
References
- J. Leciejewicz, A note on the structure of tungsten carbide, Acta Cryst. 14, 200 (1961), doi:10.1107/S0365110X6100067X.
Found in
- W. B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys (Wiley Interscience, New York, London, Sydney, Tornoto, 1972).
First cited in
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
Geometry files
Prototype Generator
aflow --proto=AB_hP2_187_a_d --params=$a,c/a$