ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Maximum force ✕ no_equ_2 ✕ no_equ_12 ✕ no_equ_26 ✕ Energy ✕ distance ✕ no_equ_13 ✕
1 Cu54Li 0.009 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - -193.113 1.865 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2 BeCu54 0.010 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - -193.566 1.012 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3 Cu54B 0.005 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - -196.413 0.409 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4 Cu54C 0.010 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - -198.094 0.260 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5 Cu54N 0.005 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - -198.315 0.399 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6 Cu54O 0.008 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - -197.510 0.772 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7 Cu54F 0.006 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - -195.280 1.238 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8 Cu54Ar 0.007 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 -190.598 3.861 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009