The electronic structure project and data base include a large amount of
electronic structure related information for inorganic compounds. Because we
have solved the quantum mechanical electronic structure problem for each
compound in data base, and stored the eigenvalues and eigenfunctions, we have
even more information at our hands than shown on the web-pages.
Data-mining/screening techniques are now being explored and used in the
quest of identifying new/novel functional materials.
Topological insulators - Bi2SeTe2 first predicted by ESP!
Using data screening we have been able to distill out several new compounds that
have the potential of being new topological insulators. Bi2SeTe2 was experimentally
confirmed within months after our arXiv.org submission. This is indeed a great success!
See arXiv:1007.4838v1 for details.