ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Charge ✕ no_equ_15 ✕ no_equ_14 ✕ no_equ_19 ✕ no_equ_17 ✕
1 Cu54Li 0.000 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - -
2 BeCu54 0.000 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B 0.000 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C 0.000 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N 0.000 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O 0.000 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - -
7 Cu54F 0.000 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - -
8 Cu54Ar 0.000 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006