ASE database

Displaying rows 1-17 out of 17

↓ ID ✕	Formula ✕	Energy ✕	no_equ_11 ✕	no_equ_16 ✕
1	Cu₅₄Li	-193.113	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
2	BeCu₅₄	-193.566	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
3	Cu₅₄B	-196.413	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
4	Cu₅₄C	-198.094	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
5	Cu₅₄N	-198.315	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
6	Cu₅₄O	-197.510	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
7	Cu₅₄F	-195.280	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	-
8	Cu₅₄Ar	-190.598	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006