ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ Calculator ✕ PBC ✕ ads_site ✕
526 BeCu54 -0.793 vasp TTT 2h
527 Cu54B 0.375 vasp TTT 2h
528 Cu54C 0.645 vasp TTT 2h
529 Cu54N 0.716 vasp TTT 2h
530 Cu54O 0.779 vasp TTT 2h
531 Cu54F 0.691 vasp TTT 2h
532 Cu54Ne -0.008 vasp TTT 2h
533 Cu54Na -4.509 vasp TTT 2h
534 Cu54Mg -2.586 vasp TTT 2h
535 AlCu54 -0.999 vasp TTT 2h
536 Cu54Si 0.033 vasp TTT 2h
537 Cu54P 0.599 vasp TTT 2h
538 Cu54S 0.730 vasp TTT 2h
539 Cu54Cl 0.342 vasp TTT 2h
540 Cu54Ar -0.060 vasp TTT 2h
541 Cu54H 0.018 vasp TTT 3h
542 Cu54He -0.018 vasp TTT 3h
543 Cu54Li -3.363 vasp TTT 3h
544 BeCu54 -0.802 vasp TTT 3h
545 Cu54B 0.352 vasp TTT 3h
546 Cu54C 0.620 vasp TTT 3h
547 Cu54N 0.718 vasp TTT 3h
548 Cu54O 0.820 vasp TTT 3h
549 Cu54F 0.747 vasp TTT 3h
550 Cu54Ne -0.010 vasp TTT 3h