ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ ads_E ✕ no_equ_8 ✕ no_equ_6 ✕ no_equ_20 ✕ str_E ✕ no_equ_23 ✕ no_equ_4 ✕
1 Cu54Li -2.222 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - -193.113 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 -2.934 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - -193.566 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B -5.472 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - -196.413 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C -6.254 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -198.094 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N -4.599 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - -198.315 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O -5.385 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - -197.510 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F -4.264 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - -195.280 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar 0.020 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057