Screening tool

Charge Neutrality Screening

Filter out formulas and CIF structures that pass charge neutrality screening. The tool supports batch uploads and exports assigned oxidation states and passing CIFs.

Default methodOxi.matr.io electrochemical series model

Other methodspymatgen, BERTOS, TOSS, SMACT Inclusive OS

OutputCSV results and screening ZIP files

Open charge neutrality Electronegativity balance