ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Mass ✕ no_equ_2 ✕ Dipole_val ✕ no_equ_7 ✕ no_equ_16 ✕ no_equ_30 ✕ no_equ_22 ✕
1 Cu54Li 3438.424 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -2.989 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - -
2 BeCu54 3440.496 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -0.069 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - -
3 Cu54B 3442.294 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 0.558 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - -
4 Cu54C 3443.495 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 0.431 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - -
5 Cu54N 3445.491 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 0.356 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - -
6 Cu54O 3447.483 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 0.473 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - -
7 Cu54F 3450.482 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 0.677 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 - - -
8 Cu54Ar 3471.432 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 -0.049 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005