Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB_hP2_187_a_d-001

This structure originally had the label AB_hP2_187_d_a. Calls to that address will be redirected here.

If you are using this page, please cite:
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)

Links to this page

https://aflow.org/p/X4K0
or https://aflow.org/p/AB_hP2_187_a_d-001
or PDF Version

Tungsten Carbide (WC, $B_{h}$) Structure: AB_hP2_187_a_d-001

Picture of Structure; Click for Big Picture
Prototype CW
AFLOW prototype label AB_hP2_187_a_d-001
Strukturbericht designation $B_{h}$
ICSD 15406
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

AlSn,  BIr,  MoC,  MoP,  NbS,  OsC,  RuC,  TaS,  TeZr,  TiS,  WN


\[ \begin{array}{ccc} \mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}} \end{array}\]

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

Found in

  • W. B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys (Wiley Interscience, New York, London, Sydney, Tornoto, 1972).

Prototype Generator

aflow --proto=AB_hP2_187_a_d --params=$a,c/a$

Species:

Running:

Output: