ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_22 ✕	no_equ_1 ✕	no_equ_25 ✕	no_equ_11 ✕
1	Cu₅₄Li	-	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	-	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2	BeCu₅₄	-	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	-	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3	Cu₅₄B	-	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	-	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4	Cu₅₄C	-	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	-	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5	Cu₅₄N	-	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	-	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6	Cu₅₄O	-	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	-	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7	Cu₅₄F	-	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	-	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8	Cu₅₄Ar	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012