ASE database

Displaying rows 1-8 out of 8

Formula ✕	slab_E ✕	ads_E ✕	Username ✕	Charge ✕	Age ✕	no_equ_21 ✕	no_equ_1 ✕	no_equ_16 ✕	Magnetic moment ✕
Cu₅₄Li	-190.592	-2.222	hecc	0.000	13M	-	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	0.000
BeCu₅₄	-190.592	-2.934	hecc	0.000	13M	-	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	-0.000
Cu₅₄B	-190.592	-5.472	hecc	0.000	13M	-	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	0.000
Cu₅₄C	-190.592	-6.254	hecc	0.000	13M	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	-0.000
Cu₅₄N	-190.592	-4.599	hecc	0.000	13M	-	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	-0.000
Cu₅₄O	-190.592	-5.385	hecc	0.000	13M	-	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	0.000
Cu₅₄F	-190.592	-4.264	hecc	0.000	13M	-	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	-	-0.000
Cu₅₄Ar	-190.592	0.020	hecc	0.000	13M	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	-0.000