ASE database

Displaying rows 576-31 out of 31
Formula ✕ ads_E ✕ plane_index ✕ atom_E ✕ Age ✕ Calculator ✕ slab_E ✕ Dipole_val ✕ Energy ✕ Mass ✕
Cu54Ar -0.009 111 -0.025 13M vasp -192.845 -0.041 -192.880 3471.432
Cu54H -1.923 111 -1.117 13M vasp -192.845 0.281 -195.885 3432.492
Cu54He -0.003 111 0.002 13M vasp -192.845 -0.019 -192.846 3435.487
Cu54Li -2.222 111 -0.299 13M vasp -192.845 -3.579 -195.366 3438.424
BeCu54 -1.956 111 -0.039 13M vasp -192.845 -0.919 -194.841 3440.496
Cu54B -3.063 111 -0.349 13M vasp -192.845 0.323 -196.257 3442.294
Cu54C -3.219 111 -1.248 13M vasp -192.845 0.960 -197.311 3443.495
Cu54N -1.739 111 -3.124 13M vasp -192.845 1.474 -197.708 3445.491
Cu54O -3.329 111 -1.533 13M vasp -192.845 1.815 -197.707 3447.483
Cu54F -3.771 111 -0.424 13M vasp -192.845 1.950 -197.040 3450.482
Cu54Ne -0.007 111 -0.013 13M vasp -192.845 -0.016 -192.865 3451.664
Cu54Na -1.898 111 -0.225 13M vasp -192.845 -4.587 -194.968 3454.474
Cu54Mg -1.504 111 -0.004 13M vasp -192.845 -2.541 -194.352 3455.789
AlCu54 -2.799 111 -0.295 13M vasp -192.845 -0.969 -195.938 3458.466
Cu54Si -3.467 111 -0.830 13M vasp -192.845 0.022 -197.142 3459.569
Cu54P -2.813 111 -1.888 13M vasp -192.845 0.571 -197.546 3462.458
Cu54S -3.363 111 -0.945 13M vasp -192.845 1.109 -197.153 3463.544
Cu54Cl -2.991 111 -0.243 13M vasp -192.845 1.499 -196.079 3466.934
Cu54Ar -0.007 111 -0.025 13M vasp -192.845 -0.070 -192.878 3471.432