ASE database

Displaying rows 1-25 out of 2180

Formula ✕	Mass ✕	no_equ_31 ✕	Volume ✕	no_equ_28 ✕	Number of atoms ✕	str_E ✕	Charge ✕	no_equ_13 ✕	no_equ_19 ✕
Cu₅₄Li	3438.424	-	1730.483	-	55	-193.113	0.000	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126	-
BeCu₅₄	3440.496	-	1730.483	-	55	-193.566	0.000	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465	-
Cu₅₄B	3442.294	-	1730.483	-	55	-196.413	0.000	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236	-
Cu₅₄C	3443.495	-	1730.483	-	55	-198.094	0.000	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632	ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
Cu₅₄N	3445.491	-	1730.483	-	55	-198.315	0.000	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042	ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
Cu₅₄O	3447.483	-	1730.483	-	55	-197.510	0.000	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321	-
Cu₅₄F	3450.482	-	1730.483	-	55	-195.280	0.000	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801	-
Cu₅₄Ar	3471.432	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	1730.483	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005	55	-190.598	0.000	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005

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