ASE database

Displaying rows 1-25 out of 31
Formula ✕ no_equ_2 ✕ no_equ_14 ✕ no_equ_22 ✕ no_equ_3 ✕ Magnetic moment ✕ no_equ_7 ✕ no_equ_24 ✕ no_equ_15 ✕ no_equ_21 ✕ no_equ_11 ✕ no_equ_23 ✕ atom_E ✕
Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 0.000 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:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - -0.299
BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -0.000 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:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - -0.039
Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 0.000 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:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - -0.349
Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -0.000 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:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 - -1.248
Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -0.000 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:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - -3.124
Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 0.000 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:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - -1.533
Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -0.000 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:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - -0.424
Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 -0.000 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 -0.025