ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_31 ✕	Volume ✕	no_equ_2 ✕	no_equ_3 ✕
1	Cu₅₄Li	-	1730.483	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2	BeCu₅₄	-	1730.483	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3	Cu₅₄B	-	1730.483	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4	Cu₅₄C	-	1730.483	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5	Cu₅₄N	-	1730.483	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6	Cu₅₄O	-	1730.483	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7	Cu₅₄F	-	1730.483	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8	Cu₅₄Ar	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	1730.483	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139