ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_27 ✕ no_equ_9 ✕ no_equ_13 ✕ Volume ✕ no_equ_20 ✕ Energy ✕
1 Cu54Li - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 1730.483 - -193.113
2 BeCu54 - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 1730.483 - -193.566
3 Cu54B - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 1730.483 - -196.413
4 Cu54C - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 1730.483 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -198.094
5 Cu54N - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 1730.483 - -198.315
6 Cu54O - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 1730.483 - -197.510
7 Cu54F - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 1730.483 - -195.280
8 Cu54Ar ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 1730.483 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598