ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_15 ✕	str_E ✕	no_equ_17 ✕	no_equ_18 ✕
1	Cu₅₄Li	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066	-193.113	-	-
2	BeCu₅₄	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774	-193.566	ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3	Cu₅₄B	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180	-196.413	ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007	-
4	Cu₅₄C	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345	-198.094	ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5	Cu₅₄N	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016	-198.315	ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6	Cu₅₄O	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174	-197.510	-	-
7	Cu₅₄F	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666	-195.280	-	-
8	Cu₅₄Ar	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007	-190.598	ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005