ASE database

ID Formula Username Dipole_val slab_E ads_E Magnetic moment Charge str_E
576 Cu54Ar hecc -0.041 -192.845 -0.009 -0.000 0.000 -192.880
577 Cu54H hecc 0.281 -192.845 -1.923 -0.000 0.000 -195.885
578 Cu54He hecc -0.019 -192.845 -0.003 0.000 0.000 -192.846
579 Cu54Li hecc -3.579 -192.845 -2.222 -0.000 0.000 -195.366
580 BeCu54 hecc -0.919 -192.845 -1.956 0.000 0.000 -194.841
581 Cu54B hecc 0.323 -192.845 -3.063 0.000 0.000 -196.257
582 Cu54C hecc 0.960 -192.845 -3.219 -0.000 0.000 -197.311
583 Cu54N hecc 1.474 -192.845 -1.739 0.005 0.000 -197.708
584 Cu54O hecc 1.815 -192.845 -3.329 0.000 0.000 -197.707
585 Cu54F hecc 1.950 -192.845 -3.771 0.000 0.000 -197.040
586 Cu54Ne hecc -0.016 -192.845 -0.007 -0.000 0.000 -192.865
587 Cu54Na hecc -4.587 -192.845 -1.898 0.000 0.000 -194.968
588 Cu54Mg hecc -2.541 -192.845 -1.504 0.000 0.000 -194.352
589 AlCu54 hecc -0.969 -192.845 -2.799 -0.000 0.000 -195.938
590 Cu54Si hecc 0.022 -192.845 -3.467 -0.000 0.000 -197.142
591 Cu54P hecc 0.571 -192.845 -2.813 -0.000 0.000 -197.546
592 Cu54S hecc 1.109 -192.845 -3.363 -0.000 0.000 -197.153
593 Cu54Cl hecc 1.499 -192.845 -2.991 -0.000 0.000 -196.079
594 Cu54Ar hecc -0.070 -192.845 -0.007 -0.000 0.000 -192.878