COMPOSITION & STRUCTURE

Materials & Crystal Chemistry

Synthesis, composition, crystal structures and defects, connecting materials chemistry with structure–property relationships.

Tools & structures

CrystalDeskTool details & usage
pymatgenTool details & usage
COD crystal structure search

Resources & practice

C2DB · 2D materialsPublic search · CC BY-SA 4.0 · full dataset available on request · cite the original papers
IZA · zeolite frameworksFree · no registration
Case · explore a PbS structure in COD

These are selected starting points, not full coverage of this area. Share interdisciplinary questions, AI practice and experience from other fields in the community.