ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	distance ✕	no_equ_7 ✕	no_equ_13 ✕
1	Cu₅₄Li	1.865	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2	BeCu₅₄	1.012	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3	Cu₅₄B	0.409	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4	Cu₅₄C	0.260	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5	Cu₅₄N	0.399	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6	Cu₅₄O	0.772	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7	Cu₅₄F	1.238	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8	Cu₅₄Ar	3.861	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009