ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	str_E ✕	no_equ_3 ✕	PBC ✕	no_equ_2 ✕	ads_site ✕	Username ✕
1	Cu₅₄Li	-193.113	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	TTT	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	f	hecc
2	BeCu₅₄	-193.566	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	TTT	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	f	hecc
3	Cu₅₄B	-196.413	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	TTT	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	f	hecc
4	Cu₅₄C	-198.094	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	TTT	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	f	hecc
5	Cu₅₄N	-198.315	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	TTT	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	f	hecc
6	Cu₅₄O	-197.510	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	TTT	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	f	hecc
7	Cu₅₄F	-195.280	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	TTT	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	f	hecc
8	Cu₅₄Ar	-190.598	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	TTT	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	f	hecc

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