Machine Learning

Machine Learning models available for use online.

Band Gap - Single

Deep learning model for band gap prediction using stoichiometry only.

Band Gap - Space Group, Geometry

Deep learning model for band gap prediction using stoichiometry, space group, and unit cell geometry information (angles, lengths).

Band Gap - Space Group, Derived

Deep learning model for band gap prediction using stoichiometry, space group, with addiotional derived attributes such as high symmetry information, number of atoms etc.

Fermi Energy - Geometry

Deep learning model for Fermi energy prediction using stoichiometry and unit cell geometry information (angles, lengths).

Gap Type - Space Group

Deep learning model for the classifcation of a material's gap type using stoichiometry and space group.

** Use of any of these machine learning models requires correct Citing and attribution in any or all work and/or papers produced from results generated by this service.