ASE database

Displaying rows 1-200 out of 594

↓ ID ✕	Formula ✕	no_equ_2 ✕	no_equ_9 ✕	Maximum force ✕
1	Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	0.009
2	BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	0.010
3	Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	0.005
4	Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	0.010
5	Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	0.005
6	Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	0.008
7	Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	0.006
8	Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	0.007