ASE database

Displaying rows 1-25 out of 2180

↓ ID ✕	Formula ✕	PBC ✕	no_equ_10 ✕	no_equ_29 ✕	no_equ_31 ✕	no_equ_15 ✕
1	Cu₅₄Li	TTT	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	-	-	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2	BeCu₅₄	TTT	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	-	-	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3	Cu₅₄B	TTT	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	-	-	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4	Cu₅₄C	TTT	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	-	-	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5	Cu₅₄N	TTT	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	-	-	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6	Cu₅₄O	TTT	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	-	-	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7	Cu₅₄F	TTT	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	-	-	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8	Cu₅₄Ar	TTT	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007

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