ASE database

Displaying rows 1-200 out of 594

↓ ID ✕	Formula ✕	no_equ_29 ✕	Username ✕	no_equ_9 ✕	no_equ_11 ✕
1	Cu₅₄Li	-	hecc	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2	BeCu₅₄	-	hecc	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3	Cu₅₄B	-	hecc	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4	Cu₅₄C	-	hecc	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5	Cu₅₄N	-	hecc	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6	Cu₅₄O	-	hecc	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7	Cu₅₄F	-	hecc	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8	Cu₅₄Ar	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	hecc	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012