ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Volume ✕ atom_E ✕ no_equ_29 ✕ no_equ_7 ✕ Number of atoms ✕
1 Cu54Li 1730.483 -0.299 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 55
2 BeCu54 1730.483 -0.039 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 55
3 Cu54B 1730.483 -0.349 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 55
4 Cu54C 1730.483 -1.248 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 55
5 Cu54N 1730.483 -3.124 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 55
6 Cu54O 1730.483 -1.533 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 55
7 Cu54F 1730.483 -0.424 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 55
8 Cu54Ar 1730.483 -0.025 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 55