ASE database

ID Formula plane_index ads_E slab_E Volume atom_E Maximum force
526 BeCu54 111 -2.619 -192.845 1730.483 -0.039 0.010
527 Cu54B 111 -4.490 -192.845 1730.483 -0.349 0.005
528 Cu54C 111 -5.211 -192.845 1730.483 -1.250 0.009
529 Cu54N 111 -3.932 -192.845 1730.483 -3.120 0.005
530 Cu54O 111 -5.095 -192.845 1730.483 -1.530 0.013
531 Cu54F 111 -4.237 -192.845 1730.483 -0.424 0.010
532 Cu54Ne 111 -0.008 -192.845 1730.483 -0.013 0.010
533 Cu54Na 111 -1.954 -192.845 1730.483 -0.225 0.006
534 Cu54Mg 111 -1.709 -192.845 1730.483 -0.004 0.008
535 AlCu54 111 -3.201 -192.845 1730.483 -0.295 0.008
536 Cu54Si 111 -4.137 -192.845 1730.483 -0.830 0.010
537 Cu54P 111 -3.854 -192.845 1730.483 -1.890 0.010
538 Cu54S 111 -4.558 -192.845 1730.483 -0.945 0.008
539 Cu54Cl 111 -3.399 -192.845 1730.483 -0.243 0.009
540 Cu54Ar 111 -0.007 -192.845 1730.483 -0.025 0.011
541 Cu54H 111 -2.558 -192.845 1730.483 -1.117 0.009
542 Cu54He 111 -0.003 -192.845 1730.483 0.002 0.009
543 Cu54Li 111 -2.332 -192.845 1730.483 -0.299 0.010
544 BeCu54 111 -2.613 -192.845 1730.483 -0.039 0.010
545 Cu54B 111 -4.474 -192.845 1730.483 -0.349 0.005
546 Cu54C 111 -5.168 -192.845 1730.483 -1.248 0.009
547 Cu54N 111 -3.847 -192.845 1730.483 -3.124 0.009
548 Cu54O 111 -5.003 -192.845 1730.483 -1.533 0.010
549 Cu54F 111 -4.205 -192.845 1730.483 -0.424 0.010
550 Cu54Ne 111 -0.008 -192.845 1730.483 -0.013 0.010