ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_4 ✕ no_equ_9 ✕ no_equ_25 ✕ no_equ_30 ✕ no_equ_19 ✕ no_equ_14 ✕ Dipole_val ✕ no_equ_7 ✕ no_equ_8 ✕ no_equ_15 ✕ Number of atoms ✕ no_equ_16 ✕ Maximum stress ✕
Cu54Li ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -2.989 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 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 55 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 0.009
BeCu54 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -0.069 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 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 55 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 0.008
Cu54B ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 0.558 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 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 55 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.008
Cu54C ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 - - ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 0.431 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 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 55 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.008
Cu54N ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 0.356 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 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 55 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.007
Cu54O ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 0.473 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 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 55 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.009
Cu54F ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 0.677 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 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 55 - 0.009
Cu54Ar ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 -0.049 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 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 55 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 0.009