structuretoolkit.build.compound.C15

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structuretoolkit.build.compound.C15#

structuretoolkit.build.compound.C15(element_a: str, element_b: str, a: float | None = None) → Atoms[source]#

Builds a cubic $A B_2$ C15 Laves phase cell.

Example use:

>>> structure = CompoundFactory().C15('Al', 'Ca')
>>> structure.repeat(2).plot3d(view_plane=([1, 1, 0], [0, 0, -1])) 
NGLWidget()
Parameters:

  • element_a (str) – The chemical symbol for the A element.

  • element_b (str) – The chemical symbol for the B element.

  • a (float) – The lattice constant. (Default is None, which uses the default nearest-neighbour distance for the A-type element.)

Returns:

The C15 unit cell.

Return type:

(Atoms)

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