ASE database

Displaying rows 1-17 out of 17

↓ ID ✕	Formula ✕	Username ✕	distance ✕	no_equ_11 ✕	no_equ_3 ✕	no_equ_28 ✕	no_equ_29 ✕	Number of atoms ✕
1	Cu₅₄Li	hecc	1.865	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-	-	55
2	BeCu₅₄	hecc	1.012	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-	-	55
3	Cu₅₄B	hecc	0.409	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-	-	55
4	Cu₅₄C	hecc	0.260	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	-	-	55
5	Cu₅₄N	hecc	0.399	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	-	-	55
6	Cu₅₄O	hecc	0.772	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-	-	55
7	Cu₅₄F	hecc	1.238	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-	-	55
8	Cu₅₄Ar	hecc	3.861	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	55