ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_31 ✕ no_equ_17 ✕ Number of atoms ✕ no_equ_26 ✕ no_equ_15 ✕ no_equ_13 ✕
1 Cu54Li - - 55 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2 BeCu54 - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 55 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3 Cu54B - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 55 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4 Cu54C - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 55 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5 Cu54N - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 55 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6 Cu54O - - 55 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7 Cu54F - - 55 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8 Cu54Ar ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 55 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009