ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Username ✕ Dipole_val ✕ Age ✕ slab_E ✕ Calculator ✕
526 BeCu54 hecc -0.793 15M -192.845 vasp
527 Cu54B hecc 0.375 15M -192.845 vasp
528 Cu54C hecc 0.645 15M -192.845 vasp
529 Cu54N hecc 0.716 15M -192.845 vasp
530 Cu54O hecc 0.779 15M -192.845 vasp
531 Cu54F hecc 0.691 15M -192.845 vasp
532 Cu54Ne hecc -0.008 15M -192.845 vasp
533 Cu54Na hecc -4.509 15M -192.845 vasp
534 Cu54Mg hecc -2.586 15M -192.845 vasp
535 AlCu54 hecc -0.999 15M -192.845 vasp
536 Cu54Si hecc 0.033 15M -192.845 vasp
537 Cu54P hecc 0.599 15M -192.845 vasp
538 Cu54S hecc 0.730 15M -192.845 vasp
539 Cu54Cl hecc 0.342 15M -192.845 vasp
540 Cu54Ar hecc -0.060 15M -192.845 vasp
541 Cu54H hecc 0.018 15M -192.845 vasp
542 Cu54He hecc -0.018 15M -192.845 vasp
543 Cu54Li hecc -3.363 15M -192.845 vasp
544 BeCu54 hecc -0.802 15M -192.845 vasp
545 Cu54B hecc 0.352 15M -192.845 vasp
546 Cu54C hecc 0.620 15M -192.845 vasp
547 Cu54N hecc 0.718 15M -192.845 vasp
548 Cu54O hecc 0.820 15M -192.845 vasp
549 Cu54F hecc 0.747 15M -192.845 vasp
550 Cu54Ne hecc -0.010 15M -192.845 vasp