ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_4 ✕ no_equ_11 ✕ no_equ_19 ✕ distance ✕ no_equ_31 ✕ no_equ_1 ✕ Charge ✕ Number of atoms ✕
Cu54Li ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - 1.865 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 0.000 55
BeCu54 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - 1.012 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 0.000 55
Cu54B ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - 0.409 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 0.000 55
Cu54C ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 0.260 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 0.000 55
Cu54N ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 0.399 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 0.000 55
Cu54O ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - 0.772 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 0.000 55
Cu54F ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - 1.238 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 0.000 55
Cu54Ar ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 3.861 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 0.000 55