ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Mass ✕ Magnetic moment ✕ no_equ_6 ✕ no_equ_25 ✕ no_equ_16 ✕ no_equ_23 ✕ no_equ_22 ✕ atom_E ✕ Age ✕ Volume ✕ Energy ✕ no_equ_26 ✕ Maximum stress ✕ no_equ_4 ✕ Maximum force ✕ no_equ_9 ✕
1 Cu54Li 3438.424 0.000 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - - -0.299 15M 1730.483 -193.113 - 0.009 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 0.009 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 3440.496 -0.000 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - - -0.039 15M 1730.483 -193.566 - 0.008 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 0.010 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B 3442.294 0.000 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - - -0.349 15M 1730.483 -196.413 - 0.008 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 0.005 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C 3443.495 -0.000 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - - -1.248 15M 1730.483 -198.094 - 0.008 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 0.010 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N 3445.491 -0.000 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - - -3.124 15M 1730.483 -198.315 - 0.007 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 0.005 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O 3447.483 0.000 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - - -1.533 15M 1730.483 -197.510 - 0.009 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 0.008 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F 3450.482 -0.000 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - - - - -0.424 15M 1730.483 -195.280 - 0.009 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 0.006 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar 3471.432 -0.000 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.025 15M 1730.483 -190.598 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 0.009 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 0.007 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016