ASE database

ID Formula Username Mass Calculator slab_E str_E
551 Cu54Na hecc 3454.474 vasp -192.845 -195.024
552 Cu54Mg hecc 3455.789 vasp -192.845 -194.556
553 AlCu54 hecc 3458.466 vasp -192.845 -196.324
554 Cu54Si hecc 3459.569 vasp -192.845 -197.777
555 Cu54P hecc 3462.458 vasp -192.845 -198.547
556 Cu54S hecc 3463.544 vasp -192.845 -198.308
557 Cu54Cl hecc 3466.934 vasp -192.845 -196.481
558 Cu54Ar hecc 3471.432 vasp -192.845 -192.878
559 Cu54H hecc 3432.492 vasp -192.845 -196.523
560 Cu54He hecc 3435.487 vasp -192.845 -192.846
561 Cu54Li hecc 3438.424 vasp -192.845 -195.466
562 BeCu54 hecc 3440.496 vasp -192.845 -195.474
563 Cu54B hecc 3442.294 vasp -192.845 -197.691
564 Cu54C hecc 3443.495 vasp -192.845 -199.256
565 Cu54N hecc 3445.491 vasp -192.845 -199.896
566 Cu54O hecc 3447.483 vasp -192.845 -199.469
567 Cu54F hecc 3450.482 vasp -192.845 -197.505
568 Cu54Ne hecc 3451.664 vasp -192.845 -192.866
569 Cu54Na hecc 3454.474 vasp -192.845 -195.018
570 Cu54Mg hecc 3455.789 vasp -192.845 -194.540
571 AlCu54 hecc 3458.466 vasp -192.845 -196.341
572 Cu54Si hecc 3459.569 vasp -192.845 -197.812
573 Cu54P hecc 3462.458 vasp -192.845 -198.588
574 Cu54S hecc 3463.544 vasp -192.845 -198.347
575 Cu54Cl hecc 3466.934 vasp -192.845 -196.406