ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_7 ✕	Mass ✕	no_equ_5 ✕	no_equ_22 ✕
1	Cu₅₄Li	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	3438.424	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	3440.496	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	3442.294	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	3443.495	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	3445.491	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	3447.483	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	3450.482	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	-
8	Cu₅₄Ar	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	3471.432	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005