ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_23 ✕	no_equ_26 ✕	Calculator ✕	no_equ_12 ✕	Magnetic moment ✕	Age ✕
1	Cu₅₄Li	-	-	vasp	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165	0.000	13M
2	BeCu₅₄	-	-	vasp	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632	-0.000	13M
3	Cu₅₄B	-	-	vasp	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303	0.000	13M
4	Cu₅₄C	-	-	vasp	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531	-0.000	13M
5	Cu₅₄N	-	-	vasp	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068	-0.000	13M
6	Cu₅₄O	-	-	vasp	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372	0.000	13M
7	Cu₅₄F	-	-	vasp	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889	-0.000	13M
8	Cu₅₄Ar	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005	vasp	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010	-0.000	13M