ASE database

Displaying rows 576-31 out of 31
Formula ✕ ads_E ✕ plane_index ✕ atom_E ✕ Age ✕ Calculator ✕ slab_E ✕ Dipole_val ✕ Energy ✕
Cu54Ar -0.009 111 -0.025 13M vasp -192.845 -0.041 -192.880
Cu54H -1.923 111 -1.117 13M vasp -192.845 0.281 -195.885
Cu54He -0.003 111 0.002 13M vasp -192.845 -0.019 -192.846
Cu54Li -2.222 111 -0.299 13M vasp -192.845 -3.579 -195.366
BeCu54 -1.956 111 -0.039 13M vasp -192.845 -0.919 -194.841
Cu54B -3.063 111 -0.349 13M vasp -192.845 0.323 -196.257
Cu54C -3.219 111 -1.248 13M vasp -192.845 0.960 -197.311
Cu54N -1.739 111 -3.124 13M vasp -192.845 1.474 -197.708
Cu54O -3.329 111 -1.533 13M vasp -192.845 1.815 -197.707
Cu54F -3.771 111 -0.424 13M vasp -192.845 1.950 -197.040
Cu54Ne -0.007 111 -0.013 13M vasp -192.845 -0.016 -192.865
Cu54Na -1.898 111 -0.225 13M vasp -192.845 -4.587 -194.968
Cu54Mg -1.504 111 -0.004 13M vasp -192.845 -2.541 -194.352
AlCu54 -2.799 111 -0.295 13M vasp -192.845 -0.969 -195.938
Cu54Si -3.467 111 -0.830 13M vasp -192.845 0.022 -197.142
Cu54P -2.813 111 -1.888 13M vasp -192.845 0.571 -197.546
Cu54S -3.363 111 -0.945 13M vasp -192.845 1.109 -197.153
Cu54Cl -2.991 111 -0.243 13M vasp -192.845 1.499 -196.079
Cu54Ar -0.007 111 -0.025 13M vasp -192.845 -0.070 -192.878