ASE database

ID Formula Calculator distance Username ads_site Energy
551 Cu54Na vasp 2.376 hecc 3h -195.024
552 Cu54Mg vasp 2.025 hecc 3h -194.556
553 AlCu54 vasp 1.820 hecc 3h -196.324
554 Cu54Si vasp 1.670 hecc 3h -197.777
555 Cu54P vasp 1.593 hecc 3h -198.547
556 Cu54S vasp 1.602 hecc 3h -198.308
557 Cu54Cl vasp 1.841 hecc 3h -196.481
558 Cu54Ar vasp 3.920 hecc 3h -192.878
559 Cu54H vasp 0.916 hecc 1b -196.523
560 Cu54He vasp 3.776 hecc 1b -192.846
561 Cu54Li vasp 2.025 hecc 1b -195.466
562 BeCu54 vasp 1.308 hecc 1b -195.474
563 Cu54B vasp 0.834 hecc 1b -197.691
564 Cu54C vasp 0.665 hecc 1b -199.256
565 Cu54N vasp 0.958 hecc 1b -199.896
566 Cu54O vasp 1.073 hecc 1b -199.469
567 Cu54F vasp 1.409 hecc 1b -197.505
568 Cu54Ne vasp 3.657 hecc 1b -192.866
569 Cu54Na vasp 2.384 hecc 1b -195.018
570 Cu54Mg vasp 1.991 hecc 1b -194.540
571 AlCu54 vasp 1.820 hecc 1b -196.341
572 Cu54Si vasp 1.654 hecc 1b -197.812
573 Cu54P vasp 1.585 hecc 1b -198.588
574 Cu54S vasp 1.587 hecc 1b -198.347
575 Cu54Cl vasp 1.895 hecc 1b -196.406