ASE database

Displaying rows 1-8 out of 8
Formula ✕ no_equ_16 ✕ Dipole_val ✕ no_equ_25 ✕ no_equ_22 ✕ no_equ_5 ✕ str_E ✕ no_equ_12 ✕ no_equ_17 ✕ Username ✕ no_equ_9 ✕ no_equ_28 ✕ PBC ✕ Magnetic moment ✕ no_equ_30 ✕ no_equ_11 ✕ no_equ_26 ✕ no_equ_6 ✕
Cu54Li ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -2.989 - - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -193.113 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - hecc ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - TTT 0.000 - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
BeCu54 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.069 - - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -193.566 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 hecc ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - TTT -0.000 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
Cu54B ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.558 - - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -196.413 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 hecc ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - TTT 0.000 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
Cu54C ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.431 - - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -198.094 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 hecc ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 - TTT -0.000 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
Cu54N ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.356 - - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -198.315 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 hecc ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - TTT -0.000 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
Cu54O ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.473 - - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -197.510 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - hecc ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - TTT 0.000 - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
Cu54F - 0.677 - - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -195.280 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - hecc ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - TTT -0.000 - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
Cu54Ar ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.049 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -190.598 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 hecc ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 TTT -0.000 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007