ASE database

Displaying rows 1-25 out of 31
Formula ✕ no_equ_7 ✕ no_equ_15 ✕ no_equ_18 ✕ no_equ_2 ✕ PBC ✕ no_equ_20 ✕
Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 TTT -
BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 TTT -
Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 TTT -
Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 TTT ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715
Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 TTT -
Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 TTT -
Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 TTT -
Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 TTT ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005