ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	ads_E ✕	Energy ✕	atom_E ✕	no_equ_31 ✕	slab_E ✕	no_equ_2 ✕	no_equ_21 ✕
1	Cu₅₄Li	-2.222	-193.113	-0.299	-	-190.592	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	-
2	BeCu₅₄	-2.934	-193.566	-0.039	-	-190.592	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	-
3	Cu₅₄B	-5.472	-196.413	-0.349	-	-190.592	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	-
4	Cu₅₄C	-6.254	-198.094	-1.248	-	-190.592	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
5	Cu₅₄N	-4.599	-198.315	-3.124	-	-190.592	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	-
6	Cu₅₄O	-5.385	-197.510	-1.533	-	-190.592	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	-
7	Cu₅₄F	-4.264	-195.280	-0.424	-	-190.592	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	-
8	Cu₅₄Ar	0.020	-190.598	-0.025	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	-190.592	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005

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