Examples

Here we will give a demonstration of how to use some smact features. For a full set of work-through tutorials in Jupyter Notebook form check out the Tutorials section of the documentation.

For workflows that have been used in real examples and in published work, visit our separate repository.

• Using element and species classes
• Using filter
• Using validity
• Building lists
• Using oxidation states
• Using compound electronegativity
• Using the valence electron concentration
• Using doper
• Using distorter
• Using the metallicity module
• Predicting Properties from Composition