ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_4 ✕ no_equ_9 ✕ no_equ_14 ✕ Volume ✕ Energy ✕
1 Cu54Li ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 1730.483 -193.113
2 BeCu54 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 1730.483 -193.566
3 Cu54B ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 1730.483 -196.413
4 Cu54C ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 1730.483 -198.094
5 Cu54N ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 1730.483 -198.315
6 Cu54O ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 1730.483 -197.510
7 Cu54F ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 1730.483 -195.280
8 Cu54Ar ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 1730.483 -190.598