Inorganic Crystal Structure Database: ICSD This link opens in a new windowICSD covers all important crystal structure data are available, including unit cell, space group, complete atomic parameters, site occupation factors, Wyckoff sequence, molecular formula and weight, ANX formula, mineral group, etc.; 80 % of the structures are allocated to about 9,000 structure types;
keywords to describe to physical and chemical properties are provided; abstracts for a quick grasp of the article content are available; and simulation of Powder Diffraction Data is provided.