ASE database

Displaying rows 1-25 out of 31

↓ ID ✕	Formula ✕	no_equ_4 ✕	Maximum force ✕	no_equ_29 ✕	no_equ_11 ✕	Maximum stress ✕	Charge ✕	Mass ✕
1	Cu₅₄Li	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	0.009	-	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	0.009	0.000	3438.424
2	BeCu₅₄	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	0.010	-	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	0.008	0.000	3440.496
3	Cu₅₄B	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	0.005	-	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	0.008	0.000	3442.294
4	Cu₅₄C	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	0.010	-	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	0.008	0.000	3443.495
5	Cu₅₄N	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	0.005	-	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	0.007	0.000	3445.491
6	Cu₅₄O	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	0.008	-	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	0.009	0.000	3447.483
7	Cu₅₄F	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	0.006	-	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	0.009	0.000	3450.482
8	Cu₅₄Ar	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	0.007	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	0.009	0.000	3471.432