ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	slab_E ✕	Age ✕	no_equ_19 ✕	no_equ_6 ✕	no_equ_22 ✕	no_equ_12 ✕
1	Cu₅₄Li	-190.592	13M	-	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	-	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2	BeCu₅₄	-190.592	13M	-	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	-	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3	Cu₅₄B	-190.592	13M	-	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	-	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4	Cu₅₄C	-190.592	13M	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	-	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5	Cu₅₄N	-190.592	13M	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	-	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6	Cu₅₄O	-190.592	13M	-	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	-	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7	Cu₅₄F	-190.592	13M	-	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	-	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8	Cu₅₄Ar	-190.592	13M	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010