ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Maximum force ✕ Maximum stress ✕ no_equ_31 ✕ no_equ_7 ✕ distance ✕ Number of atoms ✕ atom_E ✕ Volume ✕ no_equ_15 ✕ no_equ_8 ✕ no_equ_23 ✕ ads_E ✕ no_equ_11 ✕ no_equ_19 ✕ no_equ_24 ✕ no_equ_28 ✕
1 Cu54Li 0.009 0.009 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 1.865 55 -0.299 1730.483 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - -2.222 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - - -
2 BeCu54 0.010 0.008 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 1.012 55 -0.039 1730.483 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - -2.934 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - - -
3 Cu54B 0.005 0.008 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.409 55 -0.349 1730.483 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - -5.472 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - - -
4 Cu54C 0.010 0.008 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 0.260 55 -1.248 1730.483 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - -6.254 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - -
5 Cu54N 0.005 0.007 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 0.399 55 -3.124 1730.483 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - -4.599 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - -
6 Cu54O 0.008 0.009 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.772 55 -1.533 1730.483 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - -5.385 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - - -
7 Cu54F 0.006 0.009 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 1.238 55 -0.424 1730.483 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - -4.264 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - - -
8 Cu54Ar 0.007 0.009 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 3.861 55 -0.025 1730.483 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 0.020 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005