ASE database

Displaying rows 1-25 out of 31
↓ ID ✕ Formula ✕ Maximum force ✕ Volume ✕ no_equ_9 ✕ no_equ_21 ✕ atom_E ✕ Charge ✕ no_equ_26 ✕ no_equ_23 ✕ no_equ_14 ✕
1 Cu54Li 0.009 1730.483 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - -0.299 0.000 - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 0.010 1730.483 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - -0.039 0.000 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B 0.005 1730.483 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - -0.349 0.000 - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C 0.010 1730.483 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -1.248 0.000 - - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N 0.005 1730.483 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - -3.124 0.000 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O 0.008 1730.483 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - -1.533 0.000 - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F 0.006 1730.483 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - -0.424 0.000 - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar 0.007 1730.483 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 -0.025 0.000 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008