ASE database

Displaying rows 551-8 out of 8
Formula ✕ Mass ✕ Calculator ✕ distance ✕ Energy ✕ PBC ✕ ads_E ✕ Volume ✕ Charge ✕
Cu54Na 3454.474 vasp 2.376 -195.024 TTT -1.954 1730.483 0.000
Cu54Mg 3455.789 vasp 2.025 -194.556 TTT -1.707 1730.483 0.000
AlCu54 3458.466 vasp 1.820 -196.324 TTT -3.184 1730.483 0.000
Cu54Si 3459.569 vasp 1.670 -197.777 TTT -4.102 1730.483 0.000
Cu54P 3462.458 vasp 1.593 -198.547 TTT -3.815 1730.483 0.000
Cu54S 3463.544 vasp 1.602 -198.308 TTT -4.518 1730.483 0.000
Cu54Cl 3466.934 vasp 1.841 -196.481 TTT -3.393 1730.483 0.000
Cu54Ar 3471.432 vasp 3.920 -192.878 TTT -0.008 1730.483 0.000
Cu54H 3432.492 vasp 0.916 -196.523 TTT -2.559 1730.483 0.000
Cu54He 3435.487 vasp 3.776 -192.846 TTT -0.003 1730.483 0.000
Cu54Li 3438.424 vasp 2.025 -195.466 TTT -2.322 1730.483 0.000
BeCu54 3440.496 vasp 1.308 -195.474 TTT -2.589 1730.483 0.000
Cu54B 3442.294 vasp 0.834 -197.691 TTT -4.498 1730.483 0.000
Cu54C 3443.495 vasp 0.665 -199.256 TTT -5.161 1730.483 0.000
Cu54N 3445.491 vasp 0.958 -199.896 TTT -3.931 1730.483 0.000
Cu54O 3447.483 vasp 1.073 -199.469 TTT -5.094 1730.483 0.000
Cu54F 3450.482 vasp 1.409 -197.505 TTT -4.236 1730.483 0.000
Cu54Ne 3451.664 vasp 3.657 -192.866 TTT -0.008 1730.483 0.000
Cu54Na 3454.474 vasp 2.384 -195.018 TTT -1.948 1730.483 0.000
Cu54Mg 3455.789 vasp 1.991 -194.540 TTT -1.691 1730.483 0.000
AlCu54 3458.466 vasp 1.820 -196.341 TTT -3.201 1730.483 0.000
Cu54Si 3459.569 vasp 1.654 -197.812 TTT -4.137 1730.483 0.000
Cu54P 3462.458 vasp 1.585 -198.588 TTT -3.853 1730.483 0.000
Cu54S 3463.544 vasp 1.587 -198.347 TTT -4.557 1730.483 0.000
Cu54Cl 3466.934 vasp 1.895 -196.406 TTT -3.318 1730.483 0.000