ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Volume ✕	Charge ✕	no_equ_23 ✕	no_equ_3 ✕
1	Cu₅₄Li	1730.483	0.000	-	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2	BeCu₅₄	1730.483	0.000	-	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3	Cu₅₄B	1730.483	0.000	-	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4	Cu₅₄C	1730.483	0.000	-	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5	Cu₅₄N	1730.483	0.000	-	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6	Cu₅₄O	1730.483	0.000	-	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7	Cu₅₄F	1730.483	0.000	-	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8	Cu₅₄Ar	1730.483	0.000	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139

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