ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_22 ✕	slab_E ✕	Maximum stress ✕	Charge ✕	no_equ_15 ✕
1	Cu₅₄Li	-	-190.592	0.009	0.000	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2	BeCu₅₄	-	-190.592	0.008	0.000	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3	Cu₅₄B	-	-190.592	0.008	0.000	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4	Cu₅₄C	-	-190.592	0.008	0.000	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5	Cu₅₄N	-	-190.592	0.007	0.000	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6	Cu₅₄O	-	-190.592	0.009	0.000	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7	Cu₅₄F	-	-190.592	0.009	0.000	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8	Cu₅₄Ar	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	-190.592	0.009	0.000	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007