ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Magnetic moment ✕ no_equ_6 ✕ no_equ_4 ✕ slab_E ✕ no_equ_20 ✕ no_equ_16 ✕
1 Cu54Li 0.000 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -190.592 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
2 BeCu54 -0.000 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -190.592 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
3 Cu54B 0.000 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -190.592 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
4 Cu54C -0.000 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -190.592 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
5 Cu54N -0.000 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -190.592 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
6 Cu54O 0.000 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -190.592 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
7 Cu54F -0.000 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -190.592 - -
8 Cu54Ar -0.000 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 -190.592 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006