Links to relevant databases with structural files, to be used in your simulations.
- optimadeclient.materialscloud.io Catalog of catalogs
- materialscloud.org MaterialsCloud resources
- crystallography.net/cod Crystallography Open Database. Simulated and experimental structures.
- mpds.io Materials Platform for Data Science. Experimental data.
- alexandria.icams.rub.de PBE / PBEsol / SCAN optimised structures.
- nomad-lab.eu/nomad-lab/ From the QuantumESPRESSO team.
- github.com/atztogo/phonondb From the Phonopy team.
- next-gen.materialsproject.org Simulated structures. Offers Python API.
- aflowlib.org/prototype-encyclopedia/ Encyclopedia of Crystallographic Prototypes. Predicted structures.
- crystdb.nims.go.jp Inorganic material database. Registration needed.
- icsd.fiz-karlsruhe.de Inorganic Crystal Structure Database. Registration needed.