ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	str_E ✕	no_equ_28 ✕	PBC ✕	no_equ_5 ✕
1	Cu₅₄Li	-193.113	-	TTT	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2	BeCu₅₄	-193.566	-	TTT	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3	Cu₅₄B	-196.413	-	TTT	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4	Cu₅₄C	-198.094	-	TTT	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5	Cu₅₄N	-198.315	-	TTT	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6	Cu₅₄O	-197.510	-	TTT	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7	Cu₅₄F	-195.280	-	TTT	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8	Cu₅₄Ar	-190.598	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	TTT	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014