ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Maximum stress ✕ Maximum force ✕ Charge ✕ no_equ_18 ✕ str_E ✕ no_equ_20 ✕ no_equ_29 ✕ no_equ_15 ✕ no_equ_19 ✕
1 Cu54Li 0.009 0.009 0.000 - -193.113 - - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 -
2 BeCu54 0.008 0.010 0.000 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -193.566 - - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 -
3 Cu54B 0.008 0.005 0.000 - -196.413 - - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 -
4 Cu54C 0.008 0.010 0.000 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -198.094 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
5 Cu54N 0.007 0.005 0.000 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -198.315 - - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
6 Cu54O 0.009 0.008 0.000 - -197.510 - - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 -
7 Cu54F 0.009 0.006 0.000 - -195.280 - - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 -
8 Cu54Ar 0.009 0.007 0.000 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -190.598 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005