ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	PBC ✕	ads_site ✕	no_equ_11 ✕	no_equ_1 ✕
1	Cu₅₄Li	TTT	f	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2	BeCu₅₄	TTT	f	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3	Cu₅₄B	TTT	f	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4	Cu₅₄C	TTT	f	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5	Cu₅₄N	TTT	f	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6	Cu₅₄O	TTT	f	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7	Cu₅₄F	TTT	f	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8	Cu₅₄Ar	TTT	f	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500