ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Number of atoms ✕	no_equ_10 ✕	no_equ_20 ✕	no_equ_4 ✕	no_equ_26 ✕	no_equ_24 ✕
1	Cu₅₄Li	55	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	-	-
2	BeCu₅₄	55	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	-	-
3	Cu₅₄B	55	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	-	-
4	Cu₅₄C	55	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	-	-
5	Cu₅₄N	55	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	-	-
6	Cu₅₄O	55	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	-	-
7	Cu₅₄F	55	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	-	-
8	Cu₅₄Ar	55	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005

1
2
3
4
5
...
21
22
23
24