ASE database

ID Formula slab_E distance Maximum stress atom_E Volume
526 BeCu54 -192.845 1.451 0.008 -0.039 1730.483
527 Cu54B -192.845 1.151 0.006 -0.349 1730.483
528 Cu54C -192.845 0.969 0.006 -1.250 1730.483
529 Cu54N -192.845 0.961 0.005 -3.120 1730.483
530 Cu54O -192.845 1.074 0.005 -1.530 1730.483
531 Cu54F -192.845 1.412 0.006 -0.424 1730.483
532 Cu54Ne -192.845 3.642 0.007 -0.013 1730.483
533 Cu54Na -192.845 2.382 0.008 -0.225 1730.483
534 Cu54Mg -192.845 2.028 0.007 -0.004 1730.483
535 AlCu54 -192.845 1.816 0.007 -0.295 1730.483
536 Cu54Si -192.845 1.653 0.006 -0.830 1730.483
537 Cu54P -192.845 1.587 0.006 -1.890 1730.483
538 Cu54S -192.845 1.587 0.006 -0.945 1730.483
539 Cu54Cl -192.845 1.825 0.006 -0.243 1730.483
540 Cu54Ar -192.845 3.872 0.007 -0.025 1730.483
541 Cu54H -192.845 0.924 0.007 -1.117 1730.483
542 Cu54He -192.845 3.741 0.007 0.002 1730.483
543 Cu54Li -192.845 2.030 0.008 -0.299 1730.483
544 BeCu54 -192.845 1.445 0.007 -0.039 1730.483
545 Cu54B -192.845 1.126 0.006 -0.349 1730.483
546 Cu54C -192.845 0.945 0.005 -1.248 1730.483
547 Cu54N -192.845 0.958 0.005 -3.124 1730.483
548 Cu54O -192.845 1.094 0.006 -1.533 1730.483
549 Cu54F -192.845 1.440 0.006 -0.424 1730.483
550 Cu54Ne -192.845 3.613 0.007 -0.013 1730.483