ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_30 ✕ no_equ_6 ✕ Mass ✕ no_equ_1 ✕ no_equ_31 ✕ Maximum stress ✕
1 Cu54Li -0.299 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 3438.424 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - 0.009
2 BeCu54 -0.039 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 3440.496 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - 0.008
3 Cu54B -0.349 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 3442.294 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - 0.008
4 Cu54C -1.248 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 3443.495 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - 0.008
5 Cu54N -3.124 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 3445.491 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - 0.007
6 Cu54O -1.533 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 3447.483 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - 0.009
7 Cu54F -0.424 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 3450.482 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - 0.009
8 Cu54Ar -0.025 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 3471.432 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 0.009