ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_28 ✕ ads_E ✕ Age ✕ no_equ_11 ✕ no_equ_18 ✕ no_equ_6 ✕ Maximum force ✕ no_equ_1 ✕ no_equ_22 ✕ no_equ_24 ✕ no_equ_10 ✕ no_equ_3 ✕ ads_site ✕ atom_E ✕ no_equ_14 ✕ no_equ_8 ✕ no_equ_27 ✕ no_equ_26 ✕ no_equ_15 ✕ slab_E ✕ no_equ_17 ✕ Dipole_val ✕ no_equ_16 ✕ no_equ_4 ✕
1 Cu54Li - -2.222 13M ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.009 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 f -0.299 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 - - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 -190.592 - -2.989 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 - -2.934 13M ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.010 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 f -0.039 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 - - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 -190.592 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 -0.069 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B - -5.472 13M ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.005 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 f -0.349 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 - - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 -190.592 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 0.558 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C - -6.254 13M ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.010 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 f -1.248 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 - - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 -190.592 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 0.431 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N - -4.599 13M ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.005 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 f -3.124 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 - - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 -190.592 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 0.356 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O - -5.385 13M ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.008 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 f -1.533 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 - - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 -190.592 - 0.473 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F - -4.264 13M ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 0.006 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 f -0.424 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 - - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 -190.592 - 0.677 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 0.020 13M ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.007 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 f -0.025 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 -190.592 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 -0.049 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057