ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_21 ✕ Energy ✕ no_equ_14 ✕
1 Cu54Li - -193.113 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 - -193.566 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B - -196.413 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -198.094 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N - -198.315 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O - -197.510 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F - -195.280 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 -190.598 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008