ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_26 ✕ no_equ_24 ✕ ads_site ✕ no_equ_11 ✕ no_equ_1 ✕ Maximum stress ✕ Maximum force ✕ no_equ_12 ✕ no_equ_20 ✕ no_equ_14 ✕
1 Cu54Li - - f ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 0.009 0.009 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 - - f ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 0.008 0.010 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B - - f ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 0.008 0.005 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C - - f ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 0.008 0.010 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N - - f ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 0.007 0.005 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O - - f ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 0.009 0.008 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F - - f ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 0.009 0.006 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 f ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 0.009 0.007 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008