ASE database

Displaying rows 1-8 out of 8

Formula ✕	no_equ_2 ✕	PBC ✕	no_equ_26 ✕	no_equ_31 ✕	no_equ_23 ✕	Maximum stress ✕	no_equ_16 ✕	Energy ✕	atom_E ✕
Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	TTT	-	-	-	0.009	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	-193.113	-0.299
BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	TTT	-	-	-	0.008	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	-193.566	-0.039
Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	TTT	-	-	-	0.008	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	-196.413	-0.349
Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	TTT	-	-	-	0.008	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	-198.094	-1.248
Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	TTT	-	-	-	0.007	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	-198.315	-3.124
Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	TTT	-	-	-	0.009	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	-197.510	-1.533
Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	TTT	-	-	-	0.009	-	-195.280	-0.424
Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	TTT	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	0.009	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	-190.598	-0.025