chemical_system

This parameter specifies the chemical system to be used in the analysis. It should be given as a string in the format Element1-Element2-Element3-.... For example, Na-Cl, Y-C, and Y-C-F are valid chemical systems.

yamltomlpython

chemical_system: Na-Cl

chemical_system = "Na-Cl"

chemical_system = "Na-Cl"

Warning

Some workflows only accept a chemical system with a specific number of elements. An example of this is the structure-prediction.python.binary-composition search which only allows two elements (e.g. Y-C-F would raise an error)