ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_25 ✕ no_equ_4 ✕ no_equ_26 ✕ Username ✕ str_E ✕ Age ✕ Volume ✕ no_equ_28 ✕ no_equ_29 ✕ no_equ_15 ✕ no_equ_8 ✕ no_equ_9 ✕ Maximum force ✕ Number of atoms ✕ Energy ✕ no_equ_10 ✕ no_equ_7 ✕ Mass ✕ no_equ_31 ✕ ads_E ✕
Cu54Li - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - hecc -193.113 13M 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 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 0.009 55 -193.113 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 3438.424 - -2.222
BeCu54 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - hecc -193.566 13M 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 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 0.010 55 -193.566 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 3440.496 - -2.934
Cu54B - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - hecc -196.413 13M 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 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 0.005 55 -196.413 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 3442.294 - -5.472
Cu54C - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 - hecc -198.094 13M 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 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 0.010 55 -198.094 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 3443.495 - -6.254
Cu54N - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - hecc -198.315 13M 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 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 0.005 55 -198.315 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 3445.491 - -4.599
Cu54O - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - hecc -197.510 13M 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 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 0.008 55 -197.510 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 3447.483 - -5.385
Cu54F - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - hecc -195.280 13M 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 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 0.006 55 -195.280 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 3450.482 - -4.264
Cu54Ar ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 hecc -190.598 13M 1730.483 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 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:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 0.007 55 -190.598 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 3471.432 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 0.020