ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Username ✕	no_equ_3 ✕	no_equ_24 ✕	atom_E ✕
1	Cu₅₄Li	hecc	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-	-0.299
2	BeCu₅₄	hecc	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-	-0.039
3	Cu₅₄B	hecc	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-	-0.349
4	Cu₅₄C	hecc	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	-	-1.248
5	Cu₅₄N	hecc	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	-	-3.124
6	Cu₅₄O	hecc	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-	-1.533
7	Cu₅₄F	hecc	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-	-0.424
8	Cu₅₄Ar	hecc	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	-0.025

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