Pymatgen panel

Tip

Panel:

Sidebar region ‣ Batoms ‣ Pymatgen

The pymatgen panel is used to obtain compounds using the Pymatgen API.

To load a structure from MaterialsProject:

• Input your MaterialsProject API key, please get one from https://www.materialsproject.org/open.

• Find the ID for the structure from MaterialsProject, input the ID

• click Search

Example

Load MoS₂ crystal, then go to the Python console and make a supercell:

>>> mp_2815 *= [6, 6, 1]