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


Please enter the electrode specification below:

In high ion concentration,
e.g. x/(x+3) for LixTiO2

An example input:

0.5Mg + Mg0.5VO3 = MgVO3

MgVO3

Mg0.5VO3

0.20

Mg

orthorhombic

63

Useful links:
1. Space group numbers and symbols
2. Crystal lattice type and space group

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

Copyright 2019 ©