ASE database

Displaying rows 1-25 out of 31

↓ ID ✕	Formula ✕	Mass ✕	Charge ✕	no_equ_24 ✕	Maximum force ✕	Energy ✕	no_equ_4 ✕	Number of atoms ✕
1	Cu₅₄Li	3438.424	0.000	-	0.009	-193.113	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	55
2	BeCu₅₄	3440.496	0.000	-	0.010	-193.566	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	55
3	Cu₅₄B	3442.294	0.000	-	0.005	-196.413	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	55
4	Cu₅₄C	3443.495	0.000	-	0.010	-198.094	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	55
5	Cu₅₄N	3445.491	0.000	-	0.005	-198.315	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	55
6	Cu₅₄O	3447.483	0.000	-	0.008	-197.510	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	55
7	Cu₅₄F	3450.482	0.000	-	0.006	-195.280	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	55
8	Cu₅₄Ar	3471.432	0.000	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	0.007	-190.598	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	55