The following json files contains data for the electrochemical stability calculations for the article "Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials" by Tobias Binninger, Aris Marcolongo, Matthieu Mottet, Valery Weber, Teodoro Laino. The following files are contained:

structures_all_Li_Ge_P_S_ICSD_20190305.json
structures_all_Li_La_Zr_O_ICSD_20190312.json
structures_all_Na_Zr_Si_P_O_ICSD_20190306.json
structures_carbonate_CO2_O2.json

These json files contain as keys the ICSD entry numbers and as values the corresponding composition, supercell volume (before relaxation), and computed DFT energy after structural relaxation. All ICSD entries are contained that were used for the computation of the phase stability windows of LGPS, LLZO, and NASICON as described in the article "Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials" by Tobias Binninger, Aris Marcolongo, Matthieu Mottet, Valery Weber, Teodoro Laino.