ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_31 ✕ Energy ✕ no_equ_10 ✕ no_equ_21 ✕ no_equ_8 ✕ no_equ_15 ✕ no_equ_22 ✕ Username ✕
1 Cu54Li - -193.113 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - hecc
2 BeCu54 - -193.566 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - hecc
3 Cu54B - -196.413 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - hecc
4 Cu54C - -198.094 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 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - hecc
5 Cu54N - -198.315 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - hecc
6 Cu54O - -197.510 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - hecc
7 Cu54F - -195.280 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - hecc
8 Cu54Ar ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 -190.598 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 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 hecc