ASE database

Displaying rows 1-25 out of 127

↓ ID ✕	Formula ✕	Mass ✕	no_equ_9 ✕	no_equ_5 ✕
1	Cu₅₄Li	3438.424	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2	BeCu₅₄	3440.496	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3	Cu₅₄B	3442.294	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4	Cu₅₄C	3443.495	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5	Cu₅₄N	3445.491	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6	Cu₅₄O	3447.483	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7	Cu₅₄F	3450.482	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8	Cu₅₄Ar	3471.432	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014