ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Number of atoms ✕	Username ✕	no_equ_8 ✕	no_equ_5 ✕	Volume ✕
1	Cu₅₄Li	55	hecc	ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	1730.483
2	BeCu₅₄	55	hecc	ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	1730.483
3	Cu₅₄B	55	hecc	ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	1730.483
4	Cu₅₄C	55	hecc	ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	1730.483
5	Cu₅₄N	55	hecc	ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	1730.483
6	Cu₅₄O	55	hecc	ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	1730.483
7	Cu₅₄F	55	hecc	ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	1730.483
8	Cu₅₄Ar	55	hecc	ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	1730.483