ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Energy ✕	no_equ_19 ✕	distance ✕	no_equ_4 ✕
1	Cu₅₄Li	-193.113	-	1.865	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2	BeCu₅₄	-193.566	-	1.012	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3	Cu₅₄B	-196.413	-	0.409	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4	Cu₅₄C	-198.094	ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837	0.260	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5	Cu₅₄N	-198.315	ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002	0.399	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6	Cu₅₄O	-197.510	-	0.772	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7	Cu₅₄F	-195.280	-	1.238	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8	Cu₅₄Ar	-190.598	ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005	3.861	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057

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