Chemistry screening

Electronegativity Balance

Apply a Pauling electronegativity balance check after assigning oxidation states. The app supports formula lists, CIF files, and archive uploads for batch screening.

Default methodOxi.matr.io oxidation-state assignment

Batch modeFormula lists, CIF files, ZIP archives, tar.gz archives

Screening outputCSV results and passing CIF download

Open electronegativity balance Predict oxidation states