Predict the electronic band gap (direct or indirect) and band-edge positions. Useful for screening semiconductors, insulators, and optoelectronic materials, and for estimating whether a structure is metallic.
Part of service
Ouro DFT (ABACUS)
Execution
Usage
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.