ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Number of atoms ✕	Magnetic moment ✕	no_equ_11 ✕	Energy ✕	no_equ_4 ✕	Maximum stress ✕
1	Cu₅₄Li	55	0.000	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	-193.113	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	0.009
2	BeCu₅₄	55	-0.000	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	-193.566	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	0.008
3	Cu₅₄B	55	0.000	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	-196.413	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	0.008
4	Cu₅₄C	55	-0.000	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	-198.094	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	0.008
5	Cu₅₄N	55	-0.000	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	-198.315	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	0.007
6	Cu₅₄O	55	0.000	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	-197.510	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	0.009
7	Cu₅₄F	55	-0.000	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	-195.280	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	0.009
8	Cu₅₄Ar	55	-0.000	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	-190.598	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	0.009