ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	slab_E ✕	no_equ_5 ✕	ads_site ✕	no_equ_25 ✕	ads_E ✕
1	Cu₅₄Li	-190.592	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	f	-	-2.222
2	BeCu₅₄	-190.592	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	f	-	-2.934
3	Cu₅₄B	-190.592	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	f	-	-5.472
4	Cu₅₄C	-190.592	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	f	-	-6.254
5	Cu₅₄N	-190.592	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	f	-	-4.599
6	Cu₅₄O	-190.592	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	f	-	-5.385
7	Cu₅₄F	-190.592	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	f	-	-4.264
8	Cu₅₄Ar	-190.592	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	f	ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005	0.020

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