ASE database

ID Formula Charge distance ads_site Maximum stress ads_E str_E
526 BeCu54 0.000 1.451 2h 0.008 -2.619 -195.504
527 Cu54B 0.000 1.151 2h 0.006 -4.490 -197.683
528 Cu54C 0.000 0.969 2h 0.006 -5.211 -199.306
529 Cu54N 0.000 0.961 2h 0.005 -3.932 -199.897
530 Cu54O 0.000 1.074 2h 0.005 -5.095 -199.470
531 Cu54F 0.000 1.412 2h 0.006 -4.237 -197.506
532 Cu54Ne 0.000 3.642 2h 0.007 -0.008 -192.866
533 Cu54Na 0.000 2.382 2h 0.008 -1.954 -195.024
534 Cu54Mg 0.000 2.028 2h 0.007 -1.709 -194.558
535 AlCu54 0.000 1.816 2h 0.007 -3.201 -196.341
536 Cu54Si 0.000 1.653 2h 0.006 -4.137 -197.812
537 Cu54P 0.000 1.587 2h 0.006 -3.854 -198.589
538 Cu54S 0.000 1.587 2h 0.006 -4.558 -198.348
539 Cu54Cl 0.000 1.825 2h 0.006 -3.399 -196.487
540 Cu54Ar 0.000 3.872 2h 0.007 -0.007 -192.878
541 Cu54H 0.000 0.924 3h 0.007 -2.558 -196.520
542 Cu54He 0.000 3.741 3h 0.007 -0.003 -192.846
543 Cu54Li 0.000 2.030 3h 0.008 -2.332 -195.476
544 BeCu54 0.000 1.445 3h 0.007 -2.613 -195.497
545 Cu54B 0.000 1.126 3h 0.006 -4.474 -197.667
546 Cu54C 0.000 0.945 3h 0.005 -5.168 -199.261
547 Cu54N 0.000 0.958 3h 0.005 -3.847 -199.816
548 Cu54O 0.000 1.094 3h 0.006 -5.003 -199.380
549 Cu54F 0.000 1.440 3h 0.006 -4.205 -197.474
550 Cu54Ne 0.000 3.613 3h 0.007 -0.008 -192.866