ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_22 ✕ slab_E ✕ Maximum stress ✕ Charge ✕ no_equ_15 ✕ no_equ_20 ✕ no_equ_6 ✕ Mass ✕
1 Cu54Li - -190.592 0.009 0.000 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 3438.424
2 BeCu54 - -190.592 0.008 0.000 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 3440.496
3 Cu54B - -190.592 0.008 0.000 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 3442.294
4 Cu54C - -190.592 0.008 0.000 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 3443.495
5 Cu54N - -190.592 0.007 0.000 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 3445.491
6 Cu54O - -190.592 0.009 0.000 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 3447.483
7 Cu54F - -190.592 0.009 0.000 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 3450.482
8 Cu54Ar ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -190.592 0.009 0.000 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 3471.432