ASE database

Displaying rows 1-25 out of 2180
Formula ✕ Mass ✕ no_equ_31 ✕ Volume ✕ no_equ_28 ✕ Number of atoms ✕ str_E ✕ Charge ✕ no_equ_13 ✕
Cu54Li 3438.424 - 1730.483 - 55 -193.113 0.000 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
BeCu54 3440.496 - 1730.483 - 55 -193.566 0.000 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
Cu54B 3442.294 - 1730.483 - 55 -196.413 0.000 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
Cu54C 3443.495 - 1730.483 - 55 -198.094 0.000 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
Cu54N 3445.491 - 1730.483 - 55 -198.315 0.000 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
Cu54O 3447.483 - 1730.483 - 55 -197.510 0.000 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
Cu54F 3450.482 - 1730.483 - 55 -195.280 0.000 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
Cu54Ar 3471.432 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 1730.483 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 55 -190.598 0.000 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009