ICSD (Inorganic Crystal Structure Database) provides the world's largest database for completely identified inorganic crystal structures, including minerals, metals, alloys and metal-organic.The first records date back to 1913. Currently, around 12,000 new structures are added every year. The curated data collection includes:
Most 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. Read more about the database on their About page and scientific manual.
MIT affiliates may access the database through the browser-based interface ICSD Web or use the ICSD API for programmatic access.
The MIT community (MIT faculty, students, post-docs & other researchers, and staff) are authorized to use ICSD for academic research purposes only.
Each user will need to review and agree on the Terms and Conditions of ICSD API from ICSD. Here are a few terms to highlight.
We have limited number of seats for ICSD API access. They will be allocated to users on first-come first-serviced basis with an expiration date based on individual project needs. If you need an extension of the access, please email email@example.com.