A Machine Learning Tool to Predict the Voltage of Cathode Materials in Batteries

Please enter the electrode specification below:

High ion concentration

Low ion concentration

Fraction of metal-ion

In high ion concentration,
e.g. x/(x+3) for Li_xTiO₂

Type of metal-ion

Crystal lattice type

Space group

An example input:

For an intercalation reaction: 0.5Mg + Mg_0.5VO₃ = MgVO₃

High ion concentration: MgVO3

Low ion concentration: Mg0.5VO3

Fraction of metal-ion: 0.20

Type of metal-ion: Mg

Crystal lattice type: orthorhombic

Space group: 63

Authors: R. P. Joshi, J. Eickholt, L. Li, M. Fornari, V. Barone, J. E. Peralta

Please cite:Joshi et al., ACS Appl. Mater. Interfaces 2019, 11, 20, 18494-18503, https://doi.org/10.1021/acsami.9b04933 [pdf]

Help: Don't know how to use the tool? Please read the Tutorial.

Contact: Veronica Barone at v.barone@cmich.edu, Rajendra Joshi at joshi1rp@cmich.edu

Caution: Model not trained with anode materials. Use tool with care for anodes.

Acknowledgements: Material Project Database