AFBuilder.build_aft#
- AFBuilder.build_aft(supercell=None, model_file='aft_moore.cif')[source]#
Build AFt (Ettringite) structure.
- Parameters:
- supercellSequence[int], optional
Supercell dimensions [a, b, c].
- model_filestr, default=’aft_moore.cif’
CIF file for the AFt structure.
- Returns:
- AtomicSystem
The built AFt structure.
Examples
>>> builder = AFBuilder(ws_ratio=10.0) >>> system = builder.build_aft(supercell=[2,2,1])