ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_24 ✕	no_equ_18 ✕	no_equ_12 ✕
1	Cu₅₄Li	-0.299	-	-	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2	BeCu₅₄	-0.039	-	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3	Cu₅₄B	-0.349	-	-	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4	Cu₅₄C	-1.248	-	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5	Cu₅₄N	-3.124	-	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6	Cu₅₄O	-1.533	-	-	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7	Cu₅₄F	-0.424	-	-	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8	Cu₅₄Ar	-0.025	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010

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