ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Charge ✕ Mass ✕ Volume ✕ Username ✕ str_E ✕ Dipole_val ✕ distance ✕ Age ✕
551 Cu54Na vasp 0.000 3454.474 1730.483 hecc -195.024 -4.502 2.376 13M
552 Cu54Mg vasp 0.000 3455.789 1730.483 hecc -194.556 -2.595 2.025 13M
553 AlCu54 vasp 0.000 3458.466 1730.483 hecc -196.324 -1.006 1.820 13M
554 Cu54Si vasp 0.000 3459.569 1730.483 hecc -197.777 0.043 1.670 13M
555 Cu54P vasp 0.000 3462.458 1730.483 hecc -198.547 0.624 1.593 13M
556 Cu54S vasp 0.000 3463.544 1730.483 hecc -198.308 0.764 1.602 13M
557 Cu54Cl vasp 0.000 3466.934 1730.483 hecc -196.481 0.388 1.841 13M
558 Cu54Ar vasp 0.000 3471.432 1730.483 hecc -192.878 -0.053 3.920 13M
559 Cu54H vasp 0.000 3432.492 1730.483 hecc -196.523 0.014 0.916 13M
560 Cu54He vasp 0.000 3435.487 1730.483 hecc -192.846 -0.017 3.776 13M
561 Cu54Li vasp 0.000 3438.424 1730.483 hecc -195.466 -3.370 2.025 13M
562 BeCu54 vasp 0.000 3440.496 1730.483 hecc -195.474 -0.736 1.308 13M
563 Cu54B vasp 0.000 3442.294 1730.483 hecc -197.691 0.322 0.834 13M
564 Cu54C vasp 0.000 3443.495 1730.483 hecc -199.256 0.460 0.665 13M
565 Cu54N vasp 0.000 3445.491 1730.483 hecc -199.896 0.716 0.958 13M
566 Cu54O vasp 0.000 3447.483 1730.483 hecc -199.469 0.781 1.073 13M
567 Cu54F vasp 0.000 3450.482 1730.483 hecc -197.505 0.687 1.409 13M
568 Cu54Ne vasp 0.000 3451.664 1730.483 hecc -192.866 -0.008 3.657 13M
569 Cu54Na vasp 0.000 3454.474 1730.483 hecc -195.018 -4.513 2.384 13M
570 Cu54Mg vasp 0.000 3455.789 1730.483 hecc -194.540 -2.577 1.991 13M
571 AlCu54 vasp 0.000 3458.466 1730.483 hecc -196.341 -0.999 1.820 13M
572 Cu54Si vasp 0.000 3459.569 1730.483 hecc -197.812 0.034 1.654 13M
573 Cu54P vasp 0.000 3462.458 1730.483 hecc -198.588 0.602 1.585 13M
574 Cu54S vasp 0.000 3463.544 1730.483 hecc -198.347 0.738 1.587 13M
575 Cu54Cl vasp 0.000 3466.934 1730.483 hecc -196.406 0.581 1.895 13M