ASE database

Displaying rows 1-100 out of 594

↓ ID ✕	Formula ✕	str_E ✕	no_equ_28 ✕	no_equ_11 ✕	Charge ✕
1	Cu₅₄Li	-193.113	-	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	0.000
2	BeCu₅₄	-193.566	-	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	0.000
3	Cu₅₄B	-196.413	-	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	0.000
4	Cu₅₄C	-198.094	-	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	0.000
5	Cu₅₄N	-198.315	-	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	0.000
6	Cu₅₄O	-197.510	-	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	0.000
7	Cu₅₄F	-195.280	-	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	0.000
8	Cu₅₄Ar	-190.598	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	0.000