ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_2 ✕	no_equ_11 ✕
1	Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2	BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3	Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4	Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5	Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6	Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7	Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8	Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012