ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_25 ✕ no_equ_28 ✕ no_equ_26 ✕ no_equ_12 ✕ Volume ✕ no_equ_27 ✕ no_equ_21 ✕ PBC ✕ no_equ_20 ✕ Magnetic moment ✕ no_equ_9 ✕ distance ✕ no_equ_6 ✕ no_equ_10 ✕ no_equ_2 ✕
Cu54Li - - - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 1730.483 - - TTT - 0.000 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 1.865 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
BeCu54 - - - ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 1730.483 - - TTT - -0.000 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 1.012 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
Cu54B - - - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 1730.483 - - TTT - 0.000 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 0.409 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
Cu54C - - - ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 1730.483 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 TTT ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -0.000 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 0.260 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
Cu54N - - - ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 1730.483 - - TTT - -0.000 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 0.399 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
Cu54O - - - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 1730.483 - - TTT - 0.000 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 0.772 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
Cu54F - - - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 1730.483 - - TTT - -0.000 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 1.238 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
Cu54Ar ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 1730.483 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 TTT ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -0.000 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 3.861 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278