ASE database

ID Formula Charge distance ads_site Maximum stress ads_E
551 Cu54Na 0.000 2.376 3h 0.008 -1.954
552 Cu54Mg 0.000 2.025 3h 0.007 -1.707
553 AlCu54 0.000 1.820 3h 0.007 -3.184
554 Cu54Si 0.000 1.670 3h 0.006 -4.102
555 Cu54P 0.000 1.593 3h 0.006 -3.815
556 Cu54S 0.000 1.602 3h 0.006 -4.518
557 Cu54Cl 0.000 1.841 3h 0.006 -3.393
558 Cu54Ar 0.000 3.920 3h 0.007 -0.008
559 Cu54H 0.000 0.916 1b 0.007 -2.559
560 Cu54He 0.000 3.776 1b 0.007 -0.003
561 Cu54Li 0.000 2.025 1b 0.008 -2.322
562 BeCu54 0.000 1.308 1b 0.008 -2.589
563 Cu54B 0.000 0.834 1b 0.008 -4.498
564 Cu54C 0.000 0.665 1b 0.008 -5.161
565 Cu54N 0.000 0.958 1b 0.005 -3.931
566 Cu54O 0.000 1.073 1b 0.005 -5.094
567 Cu54F 0.000 1.409 1b 0.006 -4.236
568 Cu54Ne 0.000 3.657 1b 0.007 -0.008
569 Cu54Na 0.000 2.384 1b 0.008 -1.948
570 Cu54Mg 0.000 1.991 1b 0.008 -1.691
571 AlCu54 0.000 1.820 1b 0.007 -3.201
572 Cu54Si 0.000 1.654 1b 0.006 -4.137
573 Cu54P 0.000 1.585 1b 0.006 -3.853
574 Cu54S 0.000 1.587 1b 0.005 -4.557
575 Cu54Cl 0.000 1.895 1b 0.006 -3.318