ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_2 ✕	slab_E ✕	no_equ_30 ✕	no_equ_20 ✕	no_equ_14 ✕
1	Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	-190.592	-	-	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2	BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	-190.592	-	-	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3	Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	-190.592	-	-	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4	Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	-190.592	-	ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5	Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	-190.592	-	-	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6	Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	-190.592	-	-	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7	Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	-190.592	-	-	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8	Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	-190.592	ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005	ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008