Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_cF4_225_a

  • 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)
  • D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
  • D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

Face–Centered Cubic (Cu, $A1$, fcc) Structure: A_cF4_225_a

Picture of Structure; Click for Big Picture
Prototype : Cu
AFLOW prototype label : A_cF4_225_a
Strukturbericht designation : $A1$
Pearson symbol : cF4
Space group number : 225
Space group symbol : $Fm\bar{3}m$
AFLOW prototype command : aflow --proto=A_cF4_225_a
--params=
$a$


Other elements with this structure

  • Al, Cu, Ni, Sr, Rh, Pd, Ag, Ce, Tb, Ir, Pt, Au, Pb, Th

Face-centered Cubic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \text{Cu} \\ \end{array} \]

References

  • M. E. Straumanis and L. S. Yu, Lattice parameters, densities, expansion coefficients and perfection of structure of Cu and of Cu–In alpha phase, Acta Crystallogr. Sect. A 25, 676–682 (1969), doi:10.1107/S0567739469001549.

Geometry files


Prototype Generator

aflow --proto=A_cF4_225_a --params=

Species:

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