ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_19 ✕	no_equ_29 ✕	no_equ_6 ✕	Magnetic moment ✕	Maximum stress ✕	Maximum force ✕	Calculator ✕	no_equ_28 ✕
1	Cu₅₄Li	-	-	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	0.000	0.009	0.009	vasp	-
2	BeCu₅₄	-	-	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	-0.000	0.008	0.010	vasp	-
3	Cu₅₄B	-	-	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	0.000	0.008	0.005	vasp	-
4	Cu₅₄C	ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837	-	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915	-0.000	0.008	0.010	vasp	-
5	Cu₅₄N	ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002	-	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404	-0.000	0.007	0.005	vasp	-
6	Cu₅₄O	-	-	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	0.000	0.009	0.008	vasp	-
7	Cu₅₄F	-	-	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	-0.000	0.009	0.006	vasp	-
8	Cu₅₄Ar	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	-0.000	0.009	0.007	vasp	ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005