ASE database

Displaying rows 1-25 out of 2180
↓ ID ✕ Formula ✕ no_equ_2 ✕ no_equ_22 ✕ no_equ_6 ✕ distance ✕ ads_site ✕ no_equ_25 ✕ no_equ_17 ✕ no_equ_16 ✕ no_equ_4 ✕
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 1.865 f - - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 1.012 f - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.409 f - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.260 f - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.399 f - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.772 f - - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 1.238 f - - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 3.861 f ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057