ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	PBC ✕	no_equ_30 ✕	no_equ_29 ✕	no_equ_9 ✕
1	Cu₅₄Li	TTT	-	-	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2	BeCu₅₄	TTT	-	-	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3	Cu₅₄B	TTT	-	-	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4	Cu₅₄C	TTT	-	-	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5	Cu₅₄N	TTT	-	-	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6	Cu₅₄O	TTT	-	-	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7	Cu₅₄F	TTT	-	-	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8	Cu₅₄Ar	TTT	ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016

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