ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ distance ✕ no_equ_16 ✕ no_equ_10 ✕
1 Cu54Li 1.865 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 BeCu54 1.012 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 Cu54B 0.409 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 Cu54C 0.260 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 Cu54N 0.399 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 Cu54O 0.772 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 Cu54F 1.238 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 Cu54Ar 3.861 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014