ASE database

Displaying rows 576-594 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Charge ✕ Mass ✕ Volume ✕ Username ✕ str_E ✕ Dipole_val ✕
576 Cu54Ar vasp 0.000 3471.432 1730.483 hecc -192.880 -0.041
577 Cu54H vasp 0.000 3432.492 1730.483 hecc -195.885 0.281
578 Cu54He vasp 0.000 3435.487 1730.483 hecc -192.846 -0.019
579 Cu54Li vasp 0.000 3438.424 1730.483 hecc -195.366 -3.579
580 BeCu54 vasp 0.000 3440.496 1730.483 hecc -194.841 -0.919
581 Cu54B vasp 0.000 3442.294 1730.483 hecc -196.257 0.323
582 Cu54C vasp 0.000 3443.495 1730.483 hecc -197.311 0.960
583 Cu54N vasp 0.000 3445.491 1730.483 hecc -197.708 1.474
584 Cu54O vasp 0.000 3447.483 1730.483 hecc -197.707 1.815
585 Cu54F vasp 0.000 3450.482 1730.483 hecc -197.040 1.950
586 Cu54Ne vasp 0.000 3451.664 1730.483 hecc -192.865 -0.016
587 Cu54Na vasp 0.000 3454.474 1730.483 hecc -194.968 -4.587
588 Cu54Mg vasp 0.000 3455.789 1730.483 hecc -194.352 -2.541
589 AlCu54 vasp 0.000 3458.466 1730.483 hecc -195.938 -0.969
590 Cu54Si vasp 0.000 3459.569 1730.483 hecc -197.142 0.022
591 Cu54P vasp 0.000 3462.458 1730.483 hecc -197.546 0.571
592 Cu54S vasp 0.000 3463.544 1730.483 hecc -197.153 1.109
593 Cu54Cl vasp 0.000 3466.934 1730.483 hecc -196.079 1.499
594 Cu54Ar vasp 0.000 3471.432 1730.483 hecc -192.878 -0.070