ASE database

Displaying rows 1-25 out of 594
ID ✕ Formula ✕ Username ✕ no_equ_25 ✕ no_equ_17 ✕ no_equ_4 ✕ no_equ_15 ✕
8 Cu54Ar hecc ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007
7 Cu54F hecc - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
6 Cu54O hecc - - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
5 Cu54N hecc - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
4 Cu54C hecc - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
3 Cu54B hecc - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
2 BeCu54 hecc - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
1 Cu54Li hecc - - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066