ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_11 ✕ Maximum force ✕ no_equ_20 ✕ slab_E ✕ no_equ_13 ✕ ads_E ✕ no_equ_26 ✕
1 Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 0.009 - -190.592 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -2.222 -
2 BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 0.010 - -190.592 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -2.934 -
3 Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.005 - -190.592 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -5.472 -
4 Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.010 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -190.592 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -6.254 -
5 Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.005 - -190.592 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -4.599 -
6 Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.008 - -190.592 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -5.385 -
7 Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.006 - -190.592 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -4.264 -
8 Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.007 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.592 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 0.020 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005