ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_28 ✕	slab_E ✕	no_equ_2 ✕
1	Cu₅₄Li	-0.299	-	-190.592	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2	BeCu₅₄	-0.039	-	-190.592	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3	Cu₅₄B	-0.349	-	-190.592	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4	Cu₅₄C	-1.248	-	-190.592	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5	Cu₅₄N	-3.124	-	-190.592	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6	Cu₅₄O	-1.533	-	-190.592	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7	Cu₅₄F	-0.424	-	-190.592	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8	Cu₅₄Ar	-0.025	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	-190.592	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278