ASE database

Displaying rows 551-31 out of 31
Formula ✕ atom_E ✕ distance ✕ Energy ✕ Dipole_val ✕ ads_E ✕ Volume ✕ plane_index ✕ PBC ✕ Mass ✕
Cu54Na -0.225 2.376 -195.024 -4.502 -1.954 1730.483 111 TTT 3454.474
Cu54Mg -0.004 2.025 -194.556 -2.595 -1.707 1730.483 111 TTT 3455.789
AlCu54 -0.295 1.820 -196.324 -1.006 -3.184 1730.483 111 TTT 3458.466
Cu54Si -0.830 1.670 -197.777 0.043 -4.102 1730.483 111 TTT 3459.569
Cu54P -1.888 1.593 -198.547 0.624 -3.815 1730.483 111 TTT 3462.458
Cu54S -0.945 1.602 -198.308 0.764 -4.518 1730.483 111 TTT 3463.544
Cu54Cl -0.243 1.841 -196.481 0.388 -3.393 1730.483 111 TTT 3466.934
Cu54Ar -0.025 3.920 -192.878 -0.053 -0.008 1730.483 111 TTT 3471.432
Cu54H -1.120 0.916 -196.523 0.014 -2.559 1730.483 111 TTT 3432.492
Cu54He 0.002 3.776 -192.846 -0.017 -0.003 1730.483 111 TTT 3435.487
Cu54Li -0.299 2.025 -195.466 -3.370 -2.322 1730.483 111 TTT 3438.424
BeCu54 -0.039 1.308 -195.474 -0.736 -2.589 1730.483 111 TTT 3440.496
Cu54B -0.349 0.834 -197.691 0.322 -4.498 1730.483 111 TTT 3442.294
Cu54C -1.250 0.665 -199.256 0.460 -5.161 1730.483 111 TTT 3443.495
Cu54N -3.120 0.958 -199.896 0.716 -3.931 1730.483 111 TTT 3445.491
Cu54O -1.530 1.073 -199.469 0.781 -5.094 1730.483 111 TTT 3447.483
Cu54F -0.424 1.409 -197.505 0.687 -4.236 1730.483 111 TTT 3450.482
Cu54Ne -0.013 3.657 -192.866 -0.008 -0.008 1730.483 111 TTT 3451.664
Cu54Na -0.225 2.384 -195.018 -4.513 -1.948 1730.483 111 TTT 3454.474
Cu54Mg -0.004 1.991 -194.540 -2.577 -1.691 1730.483 111 TTT 3455.789
AlCu54 -0.295 1.820 -196.341 -0.999 -3.201 1730.483 111 TTT 3458.466
Cu54Si -0.830 1.654 -197.812 0.034 -4.137 1730.483 111 TTT 3459.569
Cu54P -1.890 1.585 -198.588 0.602 -3.853 1730.483 111 TTT 3462.458
Cu54S -0.945 1.587 -198.347 0.738 -4.557 1730.483 111 TTT 3463.544
Cu54Cl -0.243 1.895 -196.406 0.581 -3.318 1730.483 111 TTT 3466.934