ASE database

Displaying rows 576-594 out of 594
Formula ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕ Energy ✕ slab_E ✕ Charge ✕ plane_index ✕ PBC ✕ ads_site ✕ Mass ✕ Username ✕ Calculator ✕ Magnetic moment ✕
Cu54Ar 1730.483 -0.025 55 13M 4.003 0.007 -0.041 0.012 -192.880 -192.845 0.000 111 TTT 1b 3471.432 hecc vasp -0.000
Cu54H 1730.483 -1.117 55 13M 1.519 0.007 0.281 0.006 -195.885 -192.845 0.000 111 TTT 0t 3432.492 hecc vasp -0.000
Cu54He 1730.483 0.002 55 13M 3.707 0.007 -0.019 0.009 -192.846 -192.845 0.000 111 TTT 0t 3435.487 hecc vasp 0.000
Cu54Li 1730.483 -0.299 55 13M 2.080 0.008 -3.579 0.008 -195.366 -192.845 0.000 111 TTT 0t 3438.424 hecc vasp -0.000
BeCu54 1730.483 -0.039 55 13M 1.533 0.008 -0.919 0.008 -194.841 -192.845 0.000 111 TTT 0t 3440.496 hecc vasp 0.000
Cu54B 1730.483 -0.349 55 13M 1.497 0.007 0.323 0.011 -196.257 -192.845 0.000 111 TTT 0t 3442.294 hecc vasp 0.000
Cu54C 1730.483 -1.248 55 13M 1.476 0.008 0.960 0.009 -197.311 -192.845 0.000 111 TTT 0t 3443.495 hecc vasp -0.000
Cu54N 1730.483 -3.124 55 13M 1.581 0.007 1.474 0.479 -197.708 -192.845 0.000 111 TTT 0t 3445.491 hecc vasp 0.005
Cu54O 1730.483 -1.533 55 13M 1.643 0.007 1.815 0.007 -197.707 -192.845 0.000 111 TTT 0t 3447.483 hecc vasp 0.000
Cu54F 1730.483 -0.424 55 13M 1.854 0.006 1.950 0.010 -197.040 -192.845 0.000 111 TTT 0t 3450.482 hecc vasp 0.000
Cu54Ne 1730.483 -0.013 55 13M 3.559 0.007 -0.016 0.009 -192.865 -192.845 0.000 111 TTT 0t 3451.664 hecc vasp -0.000
Cu54Na 1730.483 -0.225 55 13M 2.403 0.008 -4.587 0.009 -194.968 -192.845 0.000 111 TTT 0t 3454.474 hecc vasp 0.000
Cu54Mg 1730.483 -0.004 55 13M 2.052 0.008 -2.541 0.008 -194.352 -192.845 0.000 111 TTT 0t 3455.789 hecc vasp 0.000
AlCu54 1730.483 -0.295 55 13M 1.947 0.007 -0.969 0.007 -195.938 -192.845 0.000 111 TTT 0t 3458.466 hecc vasp -0.000
Cu54Si 1730.483 -0.830 55 13M 1.736 0.008 0.022 0.008 -197.142 -192.845 0.000 111 TTT 0t 3459.569 hecc vasp -0.000
Cu54P 1730.483 -1.888 55 13M 1.610 0.008 0.571 0.008 -197.546 -192.845 0.000 111 TTT 0t 3462.458 hecc vasp -0.000
Cu54S 1730.483 -0.945 55 13M 1.800 0.008 1.109 0.009 -197.153 -192.845 0.000 111 TTT 0t 3463.544 hecc vasp -0.000
Cu54Cl 1730.483 -0.243 55 13M 2.184 0.006 1.499 0.008 -196.079 -192.845 0.000 111 TTT 0t 3466.934 hecc vasp -0.000
Cu54Ar 1730.483 -0.025 55 13M 3.846 0.007 -0.070 0.010 -192.878 -192.845 0.000 111 TTT 0t 3471.432 hecc vasp -0.000