structuretoolkit.build.compound.D03

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structuretoolkit.build.compound.D03#

structuretoolkit.build.compound.D03(element_a: str, element_b: str, a: float | None = None) → Atoms[source]#

Builds a cubic $A B_3$ D03 cubic cell.

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 D03 unit cell.

Return type:

(Atoms)

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