ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_18 ✕ Energy ✕ ads_site ✕ no_equ_17 ✕
1 Cu54Li - -193.113 f -
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -193.566 f ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B - -196.413 f ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -198.094 f ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -198.315 f ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O - -197.510 f -
7 Cu54F - -195.280 f -
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -190.598 f ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006