ASE database

Displaying rows 1-25 out of 594
Formula ✕ no_equ_15 ✕ no_equ_17 ✕ Number of atoms ✕ Volume ✕ Magnetic moment ✕ Charge ✕ ads_E ✕ no_equ_6 ✕ no_equ_2 ✕ no_equ_3 ✕
Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - 55 1730.483 0.000 0.000 -2.222 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 55 1730.483 -0.000 0.000 -2.934 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 55 1730.483 0.000 0.000 -5.472 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 55 1730.483 -0.000 0.000 -6.254 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 55 1730.483 -0.000 0.000 -4.599 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - 55 1730.483 0.000 0.000 -5.385 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - 55 1730.483 -0.000 0.000 -4.264 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 55 1730.483 -0.000 0.000 0.020 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139