ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Charge ✕	no_equ_20 ✕	no_equ_18 ✕	str_E ✕	no_equ_24 ✕	Dipole_val ✕	atom_E ✕
1	Cu₅₄Li	0.000	-	-	-193.113	-	-2.989	-0.299
2	BeCu₅₄	0.000	-	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	-193.566	-	-0.069	-0.039
3	Cu₅₄B	0.000	-	-	-196.413	-	0.558	-0.349
4	Cu₅₄C	0.000	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	-198.094	-	0.431	-1.248
5	Cu₅₄N	0.000	-	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	-198.315	-	0.356	-3.124
6	Cu₅₄O	0.000	-	-	-197.510	-	0.473	-1.533
7	Cu₅₄F	0.000	-	-	-195.280	-	0.677	-0.424
8	Cu₅₄Ar	0.000	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	-190.598	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	-0.049	-0.025

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