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Build slab from lattice coordinates


#1

Hi,

I would like to build 2D slab (surface) from lattice coordinates obtained from another software,

Lattice
11.759818750 0.0 0.0
5.879909376 10.184301780 0.0
End

Any help for that please ?


#2

If you’re using Avogadro 1.2.x, you can choose the Crystallography ⇒ Add Unit Cell command to create the periodic boundary conditions.

You can then edit the lattice vectors and add atoms in the Cartesian editor. In your case, I’d add a fictional 3rd lattice vector, something like <0.0 0.0 100.0>


#3

Thanks! So the solution (or workaroud) is the fictional 3rd lattice vector with big distance.


#4

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