Autonomous Discovery of Materials for Intercalation Electrodes

This dataset is part of the supporting data for the manuscript "Autonomous discovery of materials for intercalation electrodes".<br>The database contains all the structures and Nudged Elastic Band (NEB) paths from the part: "Practical Application: Cathode Materials for Mg-ion Batteries". The convetion of the structures follow Figure 2 in the corresponding paper. All initial and final structures (after and before optimization) are given.<br>For further information on how to effectively visualize and read the data, please have a look at the attached README.txt file.<br><br>