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Predict p-type and n-type Seebeck coefficients with ALIGNN and the band gap with MEGNet-HSE (plus DFT when the full pipeline is used). ALIGNN JARVIS gap models are not used.
Part of service
Thermoelectrics API
Execution
Usage
Welcome to photovoltaics
Explore solar materials through structure, electronic properties, and stability.
CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.
The Seebeck route fails its first known-answer controls
Control test of the Seebeck prediction route on TiNiSn and TiCoSb fails by an order of magnitude; the route's ALIGNN band-gap branch is also down today. Absolute Seebeck values are not decision-useful until controls pass.