ASE database

ID Formula Username Dipole_val slab_E ads_E Magnetic moment
526 BeCu54 hecc -0.793 -192.845 -2.619 0.000
527 Cu54B hecc 0.375 -192.845 -4.490 -0.000
528 Cu54C hecc 0.645 -192.845 -5.211 -0.000
529 Cu54N hecc 0.716 -192.845 -3.932 -0.000
530 Cu54O hecc 0.779 -192.845 -5.095 -0.000
531 Cu54F hecc 0.691 -192.845 -4.237 0.000
532 Cu54Ne hecc -0.008 -192.845 -0.008 -0.000
533 Cu54Na hecc -4.509 -192.845 -1.954 0.000
534 Cu54Mg hecc -2.586 -192.845 -1.709 -0.000
535 AlCu54 hecc -0.999 -192.845 -3.201 -0.000
536 Cu54Si hecc 0.033 -192.845 -4.137 -0.000
537 Cu54P hecc 0.599 -192.845 -3.854 -0.000
538 Cu54S hecc 0.730 -192.845 -4.558 -0.000
539 Cu54Cl hecc 0.342 -192.845 -3.399 -0.000
540 Cu54Ar hecc -0.060 -192.845 -0.007 0.000
541 Cu54H hecc 0.018 -192.845 -2.558 -0.000
542 Cu54He hecc -0.018 -192.845 -0.003 -0.000
543 Cu54Li hecc -3.363 -192.845 -2.332 0.000
544 BeCu54 hecc -0.802 -192.845 -2.613 0.000
545 Cu54B hecc 0.352 -192.845 -4.474 0.000
546 Cu54C hecc 0.620 -192.845 -5.168 -0.000
547 Cu54N hecc 0.718 -192.845 -3.847 0.000
548 Cu54O hecc 0.820 -192.845 -5.003 0.000
549 Cu54F hecc 0.747 -192.845 -4.205 0.000
550 Cu54Ne hecc -0.010 -192.845 -0.008 0.000