ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_16 ✕	no_equ_2 ✕
1	Cu₅₄Li	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2	BeCu₅₄	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3	Cu₅₄B	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4	Cu₅₄C	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5	Cu₅₄N	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6	Cu₅₄O	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7	Cu₅₄F	-	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8	Cu₅₄Ar	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278