ASE database

ID Formula Number of atoms Maximum stress atom_E PBC Volume
551 Cu54Na 55 0.008 -0.225 TTT 1730.483
552 Cu54Mg 55 0.007 -0.004 TTT 1730.483
553 AlCu54 55 0.007 -0.295 TTT 1730.483
554 Cu54Si 55 0.006 -0.830 TTT 1730.483
555 Cu54P 55 0.006 -1.888 TTT 1730.483
556 Cu54S 55 0.006 -0.945 TTT 1730.483
557 Cu54Cl 55 0.006 -0.243 TTT 1730.483
558 Cu54Ar 55 0.007 -0.025 TTT 1730.483
559 Cu54H 55 0.007 -1.120 TTT 1730.483
560 Cu54He 55 0.007 0.002 TTT 1730.483
561 Cu54Li 55 0.008 -0.299 TTT 1730.483
562 BeCu54 55 0.008 -0.039 TTT 1730.483
563 Cu54B 55 0.008 -0.349 TTT 1730.483
564 Cu54C 55 0.008 -1.250 TTT 1730.483
565 Cu54N 55 0.005 -3.120 TTT 1730.483
566 Cu54O 55 0.005 -1.530 TTT 1730.483
567 Cu54F 55 0.006 -0.424 TTT 1730.483
568 Cu54Ne 55 0.007 -0.013 TTT 1730.483
569 Cu54Na 55 0.008 -0.225 TTT 1730.483
570 Cu54Mg 55 0.008 -0.004 TTT 1730.483
571 AlCu54 55 0.007 -0.295 TTT 1730.483
572 Cu54Si 55 0.006 -0.830 TTT 1730.483
573 Cu54P 55 0.006 -1.890 TTT 1730.483
574 Cu54S 55 0.005 -0.945 TTT 1730.483
575 Cu54Cl 55 0.006 -0.243 TTT 1730.483