ASE database

Displaying rows 526-8 out of 8
Formula ✕ Mass ✕ Calculator ✕ distance ✕ Energy ✕ PBC ✕ ads_E ✕ Volume ✕
BeCu54 3440.496 vasp 1.451 -195.504 TTT -2.619 1730.483
Cu54B 3442.294 vasp 1.151 -197.683 TTT -4.490 1730.483
Cu54C 3443.495 vasp 0.969 -199.306 TTT -5.211 1730.483
Cu54N 3445.491 vasp 0.961 -199.897 TTT -3.932 1730.483
Cu54O 3447.483 vasp 1.074 -199.470 TTT -5.095 1730.483
Cu54F 3450.482 vasp 1.412 -197.506 TTT -4.237 1730.483
Cu54Ne 3451.664 vasp 3.642 -192.866 TTT -0.008 1730.483
Cu54Na 3454.474 vasp 2.382 -195.024 TTT -1.954 1730.483
Cu54Mg 3455.789 vasp 2.028 -194.558 TTT -1.709 1730.483
AlCu54 3458.466 vasp 1.816 -196.341 TTT -3.201 1730.483
Cu54Si 3459.569 vasp 1.653 -197.812 TTT -4.137 1730.483
Cu54P 3462.458 vasp 1.587 -198.589 TTT -3.854 1730.483
Cu54S 3463.544 vasp 1.587 -198.348 TTT -4.558 1730.483
Cu54Cl 3466.934 vasp 1.825 -196.487 TTT -3.399 1730.483
Cu54Ar 3471.432 vasp 3.872 -192.878 TTT -0.007 1730.483
Cu54H 3432.492 vasp 0.924 -196.520 TTT -2.558 1730.483
Cu54He 3435.487 vasp 3.741 -192.846 TTT -0.003 1730.483
Cu54Li 3438.424 vasp 2.030 -195.476 TTT -2.332 1730.483
BeCu54 3440.496 vasp 1.445 -195.497 TTT -2.613 1730.483
Cu54B 3442.294 vasp 1.126 -197.667 TTT -4.474 1730.483
Cu54C 3443.495 vasp 0.945 -199.261 TTT -5.168 1730.483
Cu54N 3445.491 vasp 0.958 -199.816 TTT -3.847 1730.483
Cu54O 3447.483 vasp 1.094 -199.380 TTT -5.003 1730.483
Cu54F 3450.482 vasp 1.440 -197.474 TTT -4.205 1730.483
Cu54Ne 3451.664 vasp 3.613 -192.866 TTT -0.008 1730.483