matgenb – Generating surface slabs and Wulff shapes

Richard Tran has written an excellent Jupyter notebook on how you can use pymatgen to automatically generate surface slabs and analyzing calculated surface energies to construct the Wulff shape. Check it out here.

matgenb – Getting data from the Materials Project

The Materials Virtual Lab has started matgenb, a new public repository to share example notebooks that demonstrate the utilization of open-source codes for the study of materials science. We frequently get requests (from students, postdocs, collaborators, or just general users) for example codes that demonstrate various capabilities in the open-source software we maintain and contribute to, such…