ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Number of atoms ✕ ads_E ✕ no_equ_8 ✕ no_equ_7 ✕ no_equ_10 ✕ no_equ_21 ✕ Username ✕ no_equ_31 ✕ no_equ_9 ✕ no_equ_27 ✕
1 Cu54Li 55 -2.222 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - hecc - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 -
2 BeCu54 55 -2.934 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - hecc - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 -
3 Cu54B 55 -5.472 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - hecc - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 -
4 Cu54C 55 -6.254 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 hecc - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 -
5 Cu54N 55 -4.599 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 - hecc - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 -
6 Cu54O 55 -5.385 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - hecc - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 -
7 Cu54F 55 -4.264 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - hecc - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 -
8 Cu54Ar 55 0.020 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 hecc ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005