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

  • references.tar.gz: Quantum espresso output files, for the calculations for bulk and empty slab references, as well as gas phase molecule references. Contains 4,062 files.
  • H.tar.gz: Quantum Espresso output files, for calculating the adsorption of H onto bimetallic alloy slabs. Contains 17,216 files.
  • C.tar.gz: Quantum Espresso output files, for calculating the adsorption of C, CH, CH2 and CH3 onto bimetallic alloy slabs. Contains 22,195 files.
  • N.tar.gz: Quantum Espresso output files, for calculating the adsorption of N, NH and NH2 onto bimetallic alloy slabs. Contains 15,930 files
  • S.tar.gz: Quantum Espresso output files, for calculating the adsorption of S, SH, and a few extra H, onto bimetallic alloy slabs. Contains 16,700 files
  • O.tar.gz: Quantum Espresso output files, for calculating the adsorption of O, OH and H2O onto bimetallic alloy slabs. Contains 19,989 files.
  • README.txt: Guidelines on how to extract and read the data.