ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_28 ✕ ads_E ✕ Age ✕ no_equ_11 ✕ no_equ_18 ✕ no_equ_6 ✕ Maximum force ✕ no_equ_1 ✕ no_equ_22 ✕ no_equ_24 ✕ no_equ_10 ✕ no_equ_3 ✕ ads_site ✕ atom_E ✕
1 Cu54Li - -2.222 13M 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 0.009 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 f -0.299
2 BeCu54 - -2.934 13M ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.010 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 f -0.039
3 Cu54B - -5.472 13M 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 0.005 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 f -0.349
4 Cu54C - -6.254 13M ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.010 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 f -1.248
5 Cu54N - -4.599 13M ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.005 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 f -3.124
6 Cu54O - -5.385 13M 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 0.008 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 f -1.533
7 Cu54F - -4.264 13M 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 0.006 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 f -0.424
8 Cu54Ar ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 0.020 13M ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.007 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 f -0.025