↓ ID ✕ | Formula ✕ | Dipole_val ✕ | Calculator ✕ | PBC ✕ | ads_site ✕ |
---|---|---|---|---|---|
576 | Cu54Ar | -0.041 | vasp | TTT | 1b |
577 | Cu54H | 0.281 | vasp | TTT | 0t |
578 | Cu54He | -0.019 | vasp | TTT | 0t |
579 | Cu54Li | -3.579 | vasp | TTT | 0t |
580 | BeCu54 | -0.919 | vasp | TTT | 0t |
581 | Cu54B | 0.323 | vasp | TTT | 0t |
582 | Cu54C | 0.960 | vasp | TTT | 0t |
583 | Cu54N | 1.474 | vasp | TTT | 0t |
584 | Cu54O | 1.815 | vasp | TTT | 0t |
585 | Cu54F | 1.950 | vasp | TTT | 0t |
586 | Cu54Ne | -0.016 | vasp | TTT | 0t |
587 | Cu54Na | -4.587 | vasp | TTT | 0t |
588 | Cu54Mg | -2.541 | vasp | TTT | 0t |
589 | AlCu54 | -0.969 | vasp | TTT | 0t |
590 | Cu54Si | 0.022 | vasp | TTT | 0t |
591 | Cu54P | 0.571 | vasp | TTT | 0t |
592 | Cu54S | 1.109 | vasp | TTT | 0t |
593 | Cu54Cl | 1.499 | vasp | TTT | 0t |
594 | Cu54Ar | -0.070 | vasp | TTT | 0t |