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

• Model_I_Al2O3.xyz: The atomic structure of the bulk amorphous alumina model labelled as "model I" in Phys. Rev. Mater. 7, 045604 (2023). The model was originally generated in Colleoni et al. Appl. Phys. Lett. 107, 211601 (2015) via Born-Oppenheimer molecular dynamics simulations following a quench-from-the-melt approach. Atomic positions were further refined through a first-principle relaxation (DFT-PBE) in Phys. Rev. Mater. 7, 045604 (2023). This model contains 160 atoms.
• Model_II_Al2O3.xyz: The atomic structure of the bulk amorphous alumina model labelled as "model II" in Phys. Rev. Mater. 7, 045604 (2023). The model was originally generated (model G) in Momida et al. Phys. Rev. B 73, 054108 (2006) by means of classical molecular dynamics through a quench-from-the-melt procedure. Atomic positions were further refined through a first-principle relaxation (DFT-PBE) in Phys. Rev. Mater. 7, 045604 (2023). This model contains 120 atoms.
• Model_III_Al2O3.xyz: The atomic structure of the bulk amorphous alumina model labelled as "model III" in Phys. Rev. Mater. 7, 045604 (2023). The model was originally generated (model H) in Momida et al Phys. Rev. B 73, 054108 (2006) by means of classical molecular dynamics through a quench-from-the-melt procedure. Atomic positions were further refined through a first-principle relaxation (DFT-PBE) in Phys. Rev. Mater. 7, 045604 (2023). This model contains 120 atoms.
• readme.txt: full description of the atomic structures of the am-Al₂O₃ models including lattice parameters