ASE database

Displaying rows 1-25 out of 127

↓ ID ✕	Formula ✕	Maximum stress ✕	Maximum force ✕	no_equ_15 ✕	no_equ_3 ✕
1	Cu₅₄Li	0.009	0.009	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2	BeCu₅₄	0.008	0.010	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3	Cu₅₄B	0.008	0.005	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4	Cu₅₄C	0.008	0.010	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5	Cu₅₄N	0.007	0.005	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6	Cu₅₄O	0.009	0.008	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7	Cu₅₄F	0.009	0.006	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8	Cu₅₄Ar	0.009	0.007	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139