ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_27 ✕	no_equ_7 ✕	no_equ_5 ✕
1	Cu₅₄Li	-	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2	BeCu₅₄	-	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3	Cu₅₄B	-	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4	Cu₅₄C	-	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5	Cu₅₄N	-	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6	Cu₅₄O	-	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7	Cu₅₄F	-	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8	Cu₅₄Ar	ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014