ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Maximum force ✕	no_equ_2 ✕	no_equ_12 ✕	no_equ_26 ✕	Energy ✕	distance ✕
1	Cu₅₄Li	0.009	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165	-	-193.113	1.865
2	BeCu₅₄	0.010	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632	-	-193.566	1.012
3	Cu₅₄B	0.005	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303	-	-196.413	0.409
4	Cu₅₄C	0.010	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531	-	-198.094	0.260
5	Cu₅₄N	0.005	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068	-	-198.315	0.399
6	Cu₅₄O	0.008	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372	-	-197.510	0.772
7	Cu₅₄F	0.006	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889	-	-195.280	1.238
8	Cu₅₄Ar	0.007	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	-190.598	3.861