ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_28 ✕	no_equ_6 ✕	no_equ_15 ✕
1	Cu₅₄Li	-	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2	BeCu₅₄	-	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3	Cu₅₄B	-	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4	Cu₅₄C	-	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5	Cu₅₄N	-	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6	Cu₅₄O	-	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7	Cu₅₄F	-	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8	Cu₅₄Ar	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007