ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_11 ✕ no_equ_14 ✕ Dipole_val ✕ plane_index ✕ Number of atoms ✕ PBC ✕ Username ✕ no_equ_30 ✕ no_equ_6 ✕ no_equ_5 ✕
Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -2.989 100 55 TTT hecc - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -0.069 100 55 TTT hecc - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 0.558 100 55 TTT hecc - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 0.431 100 55 TTT hecc - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 0.356 100 55 TTT hecc - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 0.473 100 55 TTT hecc - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 0.677 100 55 TTT hecc - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 -0.049 100 55 TTT hecc ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014