ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_20 ✕	no_equ_5 ✕	no_equ_4 ✕
1	Cu₅₄Li	-	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2	BeCu₅₄	-	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3	Cu₅₄B	-	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4	Cu₅₄C	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5	Cu₅₄N	-	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6	Cu₅₄O	-	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7	Cu₅₄F	-	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8	Cu₅₄Ar	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057