This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: README file
• launch_plot_Figs2-3-4.ipynb: Jupyter notebook used to generate Figs. 2, 3, and 4.
• bulkAl_Fig2.aiida: AiiDA export database used for Fig. 2.
• bulkAl_Fig3c.aiida: AiiDA export database used for Fig. 3c.
• bulkAl_Fig4a.aiida: AiiDA export database used for Fig. 4a.
• bulkAl_Fig4b.aiida: AiiDA export database used for Fig. 4b.
• fermi_energy_3dd_M-P_Fig5a.ipynb: Jupyter notebook used to generate Fig. 5a.
• fermi_energy_3dd_Cold_Fig5b.ipynb: Jupyter notebook used to generate Fig. 5b.
• fermi_energy_3dd_24842struct_SecIIIB.json: Parsed data (JSON format) generated with 'fermi_energy_3dd_M-P_Fig5a.ipynb'.
• QE_subs.zip: Fortran module implementing the new protocol to determine the Fermi energy proposed by the main paper.
• analysis_selected_structures_Fig7.ipynb: Jupyter notebook used for Fig. 7.
• analysis_selected_structure_HT3_Fig7.json: Parsed data (JSON format) generated by 'analysis_selected_structures_Fig7.ipynb'.
• aiida_3dd_final_scf.aiida.zip: AiiDA database with relaxed structures their SCF calculations of the MC3D database.