Import and export structures
You can bring a structure into the studio from several sources and export it in the format your workflow requires.
Importing
- Upload a file — drag a CIF, FDF, or XV file onto the structure panel or use the file picker.
- Search OPTIMADE — query the federated OPTIMADE database by chemical formula or material ID to find published structures.
- Build from scratch — use the structure builder to create a geometry interactively.
Exporting
In the structure builder, the Export section of the sidebar saves the current structure as CIF, XSF, FDF or XV (Save as CIF, and so on). The FDF holds the structure only: the species, the cell and the atoms.
To get the input files for a SIESTA run, use Write Calculation File (.fdf) and Write Structure File (.fdf) in the FDF preview, or download a saved calculation from the Calculations page, which gives both files as a ZIP. Pseudopotentials come separately, from Pseudopotentials > Download All (ZIP).