ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_31 ✕ no_equ_17 ✕ Number of atoms ✕ no_equ_26 ✕ no_equ_15 ✕ no_equ_13 ✕ no_equ_18 ✕ Age ✕ ads_site ✕ no_equ_21 ✕ ads_E ✕ no_equ_4 ✕ Maximum force ✕ no_equ_30 ✕ no_equ_10 ✕
1 Cu54Li - - 55 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 - 15M f - -2.222 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 0.009 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 BeCu54 - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 55 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 15M f - -2.934 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 0.010 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 Cu54B - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 55 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 - 15M f - -5.472 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 0.005 - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 Cu54C - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 55 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 15M f ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -6.254 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 0.010 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 Cu54N - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 55 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 15M f - -4.599 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 0.005 - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 Cu54O - - 55 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 - 15M f - -5.385 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 0.008 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 Cu54F - - 55 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 - 15M f - -4.264 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 0.006 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 Cu54Ar ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 55 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 15M f ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 0.020 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 0.007 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014