ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_29 ✕	Energy ✕	Volume ✕	no_equ_11 ✕	no_equ_27 ✕
1	Cu₅₄Li	-0.299	-	-193.113	1730.483	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	-
2	BeCu₅₄	-0.039	-	-193.566	1730.483	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	-
3	Cu₅₄B	-0.349	-	-196.413	1730.483	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	-
4	Cu₅₄C	-1.248	-	-198.094	1730.483	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	-
5	Cu₅₄N	-3.124	-	-198.315	1730.483	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	-
6	Cu₅₄O	-1.533	-	-197.510	1730.483	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	-
7	Cu₅₄F	-0.424	-	-195.280	1730.483	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	-
8	Cu₅₄Ar	-0.025	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	-190.598	1730.483	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005

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