ASE database

Displaying rows 1-25 out of 31

↓ ID ✕	Formula ✕	Username ✕	no_equ_2 ✕	Number of atoms ✕	no_equ_13 ✕
1	Cu₅₄Li	hecc	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	55	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2	BeCu₅₄	hecc	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	55	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3	Cu₅₄B	hecc	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	55	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4	Cu₅₄C	hecc	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	55	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5	Cu₅₄N	hecc	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	55	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6	Cu₅₄O	hecc	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	55	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7	Cu₅₄F	hecc	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	55	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8	Cu₅₄Ar	hecc	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	55	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009