ASE database

ID Formula no_equ_18 Magnetic moment no_equ_24 distance no_equ_27 no_equ_1
1 Cu54Li - 0.000 - 1.865 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -0.000 - 1.012 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B - 0.000 - 0.409 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -0.000 - 0.260 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -0.000 - 0.399 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O - 0.000 - 0.772 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F - -0.000 - 1.238 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -0.000 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 3.861 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500