ASE database

Displaying rows 1-25 out of 594

Formula ✕	no_equ_3 ✕	no_equ_24 ✕	no_equ_5 ✕
Cu₅₄Li	ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949	-	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
BeCu₅₄	ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237	-	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
Cu₅₄B	ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490	-	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
Cu₅₄C	ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762	-	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
Cu₅₄N	ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570	-	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
Cu₅₄O	ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226	-	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
Cu₅₄F	ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090	-	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
Cu₅₄Ar	ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014

1
2
3
4
5
...
21
22
23
24