ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_24 ✕ Mass ✕ no_equ_4 ✕ no_equ_5 ✕ no_equ_15 ✕ distance ✕ Maximum stress ✕ ads_site ✕
1 Cu54Li -0.299 - 3438.424 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 1.865 0.009 f
2 BeCu54 -0.039 - 3440.496 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 1.012 0.008 f
3 Cu54B -0.349 - 3442.294 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.409 0.008 f
4 Cu54C -1.248 - 3443.495 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.260 0.008 f
5 Cu54N -3.124 - 3445.491 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.399 0.007 f
6 Cu54O -1.533 - 3447.483 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.772 0.009 f
7 Cu54F -0.424 - 3450.482 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 1.238 0.009 f
8 Cu54Ar -0.025 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 3471.432 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 3.861 0.009 f