ASE database

Displaying rows 1-100 out of 594
↓ ID ✕ Formula ✕ no_equ_11 ✕ str_E ✕ no_equ_6 ✕ no_equ_28 ✕ Maximum stress ✕ Username ✕ plane_index ✕ atom_E ✕ no_equ_3 ✕ no_equ_30 ✕
1 Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 -193.113 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - 0.009 hecc 100 -0.299 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 -
2 BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 -193.566 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - 0.008 hecc 100 -0.039 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -
3 Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 -196.413 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - 0.008 hecc 100 -0.349 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 -
4 Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 -198.094 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 - 0.008 hecc 100 -1.248 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -
5 Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 -198.315 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - 0.007 hecc 100 -3.124 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -
6 Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 -197.510 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - 0.009 hecc 100 -1.533 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 -
7 Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 -195.280 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - 0.009 hecc 100 -0.424 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -
8 Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 -190.598 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 0.009 hecc 100 -0.025 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005