ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Number of atoms ✕	no_equ_13 ✕	no_equ_10 ✕
1	Cu₅₄Li	55	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2	BeCu₅₄	55	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3	Cu₅₄B	55	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4	Cu₅₄C	55	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5	Cu₅₄N	55	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6	Cu₅₄O	55	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7	Cu₅₄F	55	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8	Cu₅₄Ar	55	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014

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