ASE database

Formula slab_E Mass str_E distance Dipole_val
BeCu54 -192.845 3440.496 -195.504 1.451 -0.793
Cu54B -192.845 3442.294 -197.683 1.151 0.375
Cu54C -192.845 3443.495 -199.306 0.969 0.645
Cu54N -192.845 3445.491 -199.897 0.961 0.716
Cu54O -192.845 3447.483 -199.470 1.074 0.779
Cu54F -192.845 3450.482 -197.506 1.412 0.691
Cu54Ne -192.845 3451.664 -192.866 3.642 -0.008
Cu54Na -192.845 3454.474 -195.024 2.382 -4.509
Cu54Mg -192.845 3455.789 -194.558 2.028 -2.586
AlCu54 -192.845 3458.466 -196.341 1.816 -0.999
Cu54Si -192.845 3459.569 -197.812 1.653 0.033
Cu54P -192.845 3462.458 -198.589 1.587 0.599
Cu54S -192.845 3463.544 -198.348 1.587 0.730
Cu54Cl -192.845 3466.934 -196.487 1.825 0.342
Cu54Ar -192.845 3471.432 -192.878 3.872 -0.060
Cu54H -192.845 3432.492 -196.520 0.924 0.018
Cu54He -192.845 3435.487 -192.846 3.741 -0.018
Cu54Li -192.845 3438.424 -195.476 2.030 -3.363
BeCu54 -192.845 3440.496 -195.497 1.445 -0.802
Cu54B -192.845 3442.294 -197.667 1.126 0.352
Cu54C -192.845 3443.495 -199.261 0.945 0.620
Cu54N -192.845 3445.491 -199.816 0.958 0.718
Cu54O -192.845 3447.483 -199.380 1.094 0.820
Cu54F -192.845 3450.482 -197.474 1.440 0.747
Cu54Ne -192.845 3451.664 -192.866 3.613 -0.010