ASE database

ID Formula Age no_equ_1 no_equ_30 no_equ_21 no_equ_23 no_equ_19 ads_E
1 Cu54Li 16M ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - - - - -2.222
2 BeCu54 16M ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - - - - -2.934
3 Cu54B 16M ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - - - - -5.472
4 Cu54C 16M ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 -6.254
5 Cu54N 16M ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - - - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 -4.599
6 Cu54O 16M ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - - - - -5.385
7 Cu54F 16M ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - - - - -4.264
8 Cu54Ar 16M ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 0.020