ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_30 ✕ no_equ_7 ✕ Energy ✕ no_equ_8 ✕
1 Cu54Li - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -193.113 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
2 BeCu54 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -193.566 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
3 Cu54B - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -196.413 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
4 Cu54C - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -198.094 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
5 Cu54N - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -198.315 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
6 Cu54O - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -197.510 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
7 Cu54F - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -195.280 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
8 Cu54Ar ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.598 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017