About Co-Pd XRD

I am looking for the XRD patterns of Co-Pd alloys and compounds.
More specifically for CoPd3.

I’d appreciate your help.

1 Like

While we do calculate XRD patterns for our compounds, we currently don’t have any compounds in the Co-Pd system. You can suggest compounds to us via CIF files in our Crystal Toolkit app. However, the compounds you submit must be ordered, and although e.g. the ICSD and Open Crystallography databases have CIF files for Co-Pd system compounds, those files specify partial site occupancies, as may be expected for metal alloys.

You would need to order the compounds in the way you want, e.g. using our pymatgen library, before submitting for calculation. If you are not a theory/computation person, I recommend consulting with your local friendly computational materials scientist for aid in this regard.

1 Like