ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_25 ✕ Age ✕ Mass ✕ no_equ_6 ✕ plane_index ✕ no_equ_23 ✕ ads_site ✕ no_equ_30 ✕ no_equ_31 ✕ no_equ_3 ✕ no_equ_14 ✕ no_equ_28 ✕ no_equ_8 ✕ slab_E ✕ Maximum stress ✕ no_equ_16 ✕ Energy ✕
1 Cu54Li - 13M 3438.424 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 100 - f - - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 -190.592 0.009 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -193.113
2 BeCu54 - 13M 3440.496 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 100 - f - - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 -190.592 0.008 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -193.566
3 Cu54B - 13M 3442.294 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 100 - f - - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 -190.592 0.008 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -196.413
4 Cu54C - 13M 3443.495 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 100 - f - - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 -190.592 0.008 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -198.094
5 Cu54N - 13M 3445.491 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 100 - f - - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 -190.592 0.007 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -198.315
6 Cu54O - 13M 3447.483 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 100 - f - - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 -190.592 0.009 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -197.510
7 Cu54F - 13M 3450.482 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 100 - f - - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 -190.592 0.009 - -195.280
8 Cu54Ar ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 13M 3471.432 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 100 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 f ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 -190.592 0.009 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.598