ASE database

Displaying rows 1-25 out of 594
Formula ✕ no_equ_18 ✕ no_equ_26 ✕ Maximum stress ✕ no_equ_7 ✕ no_equ_2 ✕ no_equ_31 ✕ str_E ✕ no_equ_21 ✕ no_equ_3 ✕ Charge ✕ no_equ_16 ✕ Username ✕ no_equ_12 ✕ no_equ_22 ✕ atom_E ✕
Cu54Li - - 0.009 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - -193.113 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 0.000 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 hecc ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - -0.299
BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - 0.008 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - -193.566 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 0.000 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 hecc ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - -0.039
Cu54B - - 0.008 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - -196.413 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 0.000 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 hecc ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - -0.349
Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - 0.008 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - -198.094 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 0.000 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 hecc ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - -1.248
Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - 0.007 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - -198.315 - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 0.000 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 hecc ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - -3.124
Cu54O - - 0.009 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - -197.510 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 0.000 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 hecc ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - -1.533
Cu54F - - 0.009 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - -195.280 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 0.000 - hecc ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - -0.424
Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 0.009 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 -190.598 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 0.000 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 hecc ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.025