ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_11 ✕	Maximum force ✕	no_equ_20 ✕	slab_E ✕	no_equ_13 ✕
1	Cu₅₄Li	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	0.009	-	-190.592	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2	BeCu₅₄	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	0.010	-	-190.592	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3	Cu₅₄B	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	0.005	-	-190.592	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4	Cu₅₄C	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	0.010	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	-190.592	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5	Cu₅₄N	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	0.005	-	-190.592	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6	Cu₅₄O	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	0.008	-	-190.592	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7	Cu₅₄F	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	0.006	-	-190.592	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8	Cu₅₄Ar	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	0.007	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	-190.592	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009