ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_19 ✕ no_equ_27 ✕ no_equ_17 ✕ str_E ✕
1 Cu54Li - - - -193.113
2 BeCu54 - - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 -193.566
3 Cu54B - - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 -196.413
4 Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 -198.094
5 Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 -198.315
6 Cu54O - - - -197.510
7 Cu54F - - - -195.280
8 Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 -190.598