ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	PBC ✕	no_equ_13 ✕	no_equ_5 ✕
1	Cu₅₄Li	TTT	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2	BeCu₅₄	TTT	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3	Cu₅₄B	TTT	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4	Cu₅₄C	TTT	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5	Cu₅₄N	TTT	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6	Cu₅₄O	TTT	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7	Cu₅₄F	TTT	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8	Cu₅₄Ar	TTT	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014