ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Volume ✕	ads_E ✕	no_equ_5 ✕	no_equ_22 ✕
1	Cu₅₄Li	1730.483	-2.222	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040	-
2	BeCu₅₄	1730.483	-2.934	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935	-
3	Cu₅₄B	1730.483	-5.472	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579	-
4	Cu₅₄C	1730.483	-6.254	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223	-
5	Cu₅₄N	1730.483	-4.599	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655	-
6	Cu₅₄O	1730.483	-5.385	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283	-
7	Cu₅₄F	1730.483	-4.264	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212	-
8	Cu₅₄Ar	1730.483	0.020	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005

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