ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_6 ✕ slab_E ✕ no_equ_10 ✕ ads_site ✕ Volume ✕ Dipole_val ✕ no_equ_12 ✕ Calculator ✕ no_equ_18 ✕
1 Cu54Li ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 -190.592 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 f 1730.483 -2.989 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 vasp -
2 BeCu54 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 -190.592 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 f 1730.483 -0.069 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 vasp ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 Cu54B ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 -190.592 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 f 1730.483 0.558 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 vasp -
4 Cu54C ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 -190.592 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 f 1730.483 0.431 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 vasp ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 Cu54N ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 -190.592 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 f 1730.483 0.356 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 vasp ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 Cu54O ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 -190.592 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 f 1730.483 0.473 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 vasp -
7 Cu54F ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 -190.592 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 f 1730.483 0.677 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 vasp -
8 Cu54Ar ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 -190.592 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 f 1730.483 -0.049 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 vasp ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005