ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Energy ✕	no_equ_12 ✕	no_equ_6 ✕
1	Cu₅₄Li	-193.113	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2	BeCu₅₄	-193.566	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3	Cu₅₄B	-196.413	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4	Cu₅₄C	-198.094	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5	Cu₅₄N	-198.315	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6	Cu₅₄O	-197.510	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7	Cu₅₄F	-195.280	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8	Cu₅₄Ar	-190.598	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007

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