ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ ads_E ✕ no_equ_5 ✕ no_equ_22 ✕ no_equ_6 ✕ no_equ_21 ✕ no_equ_29 ✕ no_equ_15 ✕ no_equ_8 ✕ no_equ_14 ✕ no_equ_9 ✕ no_equ_7 ✕
1 Cu54Li -2.222 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - - 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:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2 BeCu54 -2.934 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - - 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:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3 Cu54B -5.472 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - - 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:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4 Cu54C -6.254 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - 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:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5 Cu54N -4.599 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - - 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:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6 Cu54O -5.385 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - - 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:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7 Cu54F -4.264 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - - 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:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8 Cu54Ar 0.020 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.3,dipole:0.002,distance:7.615,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:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015