ASE database

Displaying rows 1-25 out of 594

Formula ✕	no_equ_15 ✕	no_equ_17 ✕	Number of atoms ✕	Volume ✕	Magnetic moment ✕	Charge ✕
Cu₅₄Li	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066	-	55	1730.483	0.000	0.000
BeCu₅₄	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774	ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613	55	1730.483	-0.000	0.000
Cu₅₄B	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180	ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007	55	1730.483	0.000	0.000
Cu₅₄C	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345	ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025	55	1730.483	-0.000	0.000
Cu₅₄N	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016	ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004	55	1730.483	-0.000	0.000
Cu₅₄O	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174	-	55	1730.483	0.000	0.000
Cu₅₄F	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666	-	55	1730.483	-0.000	0.000
Cu₅₄Ar	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007	ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006	55	1730.483	-0.000	0.000

1
2
3
4
5
...
21
22
23
24