Hi all,
The document stated that “When multiple crystal structures are present for a single chemical composition, we attempt to evaluate all unique structures as determined by an affine mapping technique”.
Could you please provide more details about how the technique were used in Materials Project? For example, the threshold and parameters. I actually tried to use the structure match method in pymatgen.analysis.strutcure_matcher and I found a lot of replicated structures in Materials Project.
Thanks.
Racheal