surface_name site_name species_name coverage formation_energy bulk_structure frequencies other_parameters reference None gas CO2 0 2.46 None [1333,2349,667,667] [] "NIST" None gas CO 0 2.77 None [2170] [] "Energy Environ. Sci., 3, 1311-1315 (2010)" None gas O2 0 5.42 None [1580] [] NIST Ru 111 O 0.25 -0.07 fcc [] [] Falsig et al (2012) Ni 111 O 0.25 0.35 fcc [] [] Falsig et al (2012) Rh 111 O 0.25 0.54 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 O 0.25 1.62 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 O 0.25 1.55 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 O 0.25 1.08 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 O 0.25 2.04 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Au 111 O 0.25 2.75 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 O 0.50 0.76 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 O 0.50 1.9 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 O 0.50 1.88 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 O 0.50 1.755 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 O 0.50 2.585 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Au 111 O 0.50 3.065 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 O 0.75 1.043 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 O 0.75 2.243 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 O 0.75 2.237 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 O 0.75 2.423 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 O 0.75 3.147 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Au 111 O 0.75 3.5 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 O 1.00 1.31 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 O 1.00 2.592 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 O 1.00 2.665 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 O 1.00 2.925 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 O 1.00 3.55 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Au 111 O 1.00 3.797 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ru 111 CO 0.25 1.3 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Ni 111 CO 0.25 1.63 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Au 111 CO 0.25 3.04 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Rh 111 CO 0.25 1.25 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 CO 0.25 1.49 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 CO 0.25 1.3 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 CO 0.25 2.53 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 CO 0.25 2.96 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 CO 0.50 1.58 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 CO 0.50 1.915 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 CO 0.50 3.07 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 CO 1.00 2.193 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pt 111 CO 1.00 2.473 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Pd 111 CO 1.00 2.335 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Cu 111 CO 1.00 3.455 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Ag 111 CO 1.00 3.247 fcc [] [] Khan et. al. Parameterization of an interaction model for adsorbate-adsorbate interactions Rh 111 O-CO 0.25 3.1 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Pt 111 O-CO 0.25 4.04 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Pd 111 O-CO 0.25 4.2 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Cu 111 O-CO 0.25 4.18 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Ag 111 O-CO 0.25 5.05 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Au 111 O-CO 0.25 5.74 fcc [] [] "Angew. Chem. Int. Ed., 47, 4835 (2008)" Rh 111 O-O 0.25 3.79 fcc [] [] Falsig et al (2012) Pt 111 O-O 0.25 5.35 fcc [] [] Falsig et al (2012) Pd 111 O-O 0.25 5.34 fcc [] [] Falsig et al (2012) Cu 111 O-O 0.25 4.74 fcc [] [] Falsig et al (2012) Ag 111 O-O 0.25 5.98 fcc [] [] Falsig et al (2012) Au 111 O-O 0.25 7.22 fcc [] [] Falsig et al (2012)