ASE database

Displaying rows 1-8 out of 8
Formula ✕ Magnetic moment ✕ no_equ_27 ✕ Maximum stress ✕ str_E ✕ no_equ_18 ✕ plane_index ✕ Mass ✕ Volume ✕ Calculator ✕ ads_E ✕ Charge ✕
Cu54Li 0.000 - 0.009 -193.113 - 100 3438.424 1730.483 vasp -2.222 0.000
BeCu54 -0.000 - 0.008 -193.566 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 100 3440.496 1730.483 vasp -2.934 0.000
Cu54B 0.000 - 0.008 -196.413 - 100 3442.294 1730.483 vasp -5.472 0.000
Cu54C -0.000 - 0.008 -198.094 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 100 3443.495 1730.483 vasp -6.254 0.000
Cu54N -0.000 - 0.007 -198.315 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 100 3445.491 1730.483 vasp -4.599 0.000
Cu54O 0.000 - 0.009 -197.510 - 100 3447.483 1730.483 vasp -5.385 0.000
Cu54F -0.000 - 0.009 -195.280 - 100 3450.482 1730.483 vasp -4.264 0.000
Cu54Ar -0.000 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 0.009 -190.598 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 100 3471.432 1730.483 vasp 0.020 0.000