ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Charge ✕ no_equ_20 ✕ no_equ_18 ✕ str_E ✕ no_equ_24 ✕ Dipole_val ✕
1 Cu54Li 0.000 - - -193.113 - -2.989
2 BeCu54 0.000 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -193.566 - -0.069
3 Cu54B 0.000 - - -196.413 - 0.558
4 Cu54C 0.000 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -198.094 - 0.431
5 Cu54N 0.000 - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -198.315 - 0.356
6 Cu54O 0.000 - - -197.510 - 0.473
7 Cu54F 0.000 - - -195.280 - 0.677
8 Cu54Ar 0.000 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -190.598 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 -0.049