ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_1 ✕ no_equ_14 ✕ no_equ_18 ✕ no_equ_27 ✕ Maximum force ✕ no_equ_6 ✕ no_equ_11 ✕ Charge ✕ atom_E ✕ slab_E ✕ no_equ_25 ✕ ads_E ✕ no_equ_22 ✕
1 Cu54Li ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - - 0.009 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 0.000 -0.299 -190.592 - -2.222 -
2 BeCu54 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - 0.010 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 0.000 -0.039 -190.592 - -2.934 -
3 Cu54B ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - - 0.005 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.000 -0.349 -190.592 - -5.472 -
4 Cu54C ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - 0.010 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.000 -1.248 -190.592 - -6.254 -
5 Cu54N ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - 0.005 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.000 -3.124 -190.592 - -4.599 -
6 Cu54O ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - - 0.008 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.000 -1.533 -190.592 - -5.385 -
7 Cu54F ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - - 0.006 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.000 -0.424 -190.592 - -4.264 -
8 Cu54Ar ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 0.007 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.000 -0.025 -190.592 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 0.020 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005