For non-pure metals if users feed in the metal name (like PtO2) this will cause it to crash when PtO2 isn't in the ASE covalent_radii dictionary. For now users can feed in a similar size pure metal name to metal, which should allow this work (for non-pure metals, the metal name shouldn't be used for anything else). We should probably at least fallback to surrogate metal if the metal isn't in the covalent_radii dictionary.
For non-pure metals if users feed in the
metalname (like PtO2) this will cause it to crash when PtO2 isn't in the ASE covalent_radii dictionary. For now users can feed in a similar size pure metal name tometal, which should allow this work (for non-pure metals, the metal name shouldn't be used for anything else). We should probably at least fallback to surrogate metal if the metal isn't in the covalent_radii dictionary.