ASE database

Displaying rows 1-25 out of 2180

↓ ID ✕	Formula ✕	no_equ_2 ✕	no_equ_22 ✕	no_equ_6 ✕
1	Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	-	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2	BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	-	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3	Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	-	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4	Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	-	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5	Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	-	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6	Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	-	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7	Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	-	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8	Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007

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