ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_30 ✕ no_equ_8 ✕ no_equ_1 ✕
1 Cu54Li - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500