ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_7 ✕ Charge ✕ no_equ_28 ✕ Volume ✕ Maximum force ✕ no_equ_16 ✕ no_equ_1 ✕ PBC ✕ ads_site ✕ distance ✕ plane_index ✕ no_equ_31 ✕ Username ✕ atom_E ✕
Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 0.000 - 1730.483 0.009 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 TTT f 1.865 100 - hecc -0.299
BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 0.000 - 1730.483 0.010 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 TTT f 1.012 100 - hecc -0.039
Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.000 - 1730.483 0.005 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 TTT f 0.409 100 - hecc -0.349
Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 0.000 - 1730.483 0.010 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 TTT f 0.260 100 - hecc -1.248
Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 0.000 - 1730.483 0.005 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 TTT f 0.399 100 - hecc -3.124
Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.000 - 1730.483 0.008 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 TTT f 0.772 100 - hecc -1.533
Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 0.000 - 1730.483 0.006 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 TTT f 1.238 100 - hecc -0.424
Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 0.000 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 1730.483 0.007 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 TTT f 3.861 100 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 hecc -0.025