ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_28 ✕	Mass ✕	no_equ_10 ✕	no_equ_1 ✕
1	Cu₅₄Li	-	3438.424	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2	BeCu₅₄	-	3440.496	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3	Cu₅₄B	-	3442.294	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4	Cu₅₄C	-	3443.495	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5	Cu₅₄N	-	3445.491	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6	Cu₅₄O	-	3447.483	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7	Cu₅₄F	-	3450.482	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8	Cu₅₄Ar	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	3471.432	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500