ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_26 ✕ no_equ_3 ✕ Magnetic moment ✕ no_equ_21 ✕ no_equ_19 ✕ no_equ_20 ✕ atom_E ✕ no_equ_7 ✕ Energy ✕ no_equ_24 ✕
1 Cu54Li - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 0.000 - - - -0.299 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -193.113 -
2 BeCu54 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -0.000 - - - -0.039 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -193.566 -
3 Cu54B - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 0.000 - - - -0.349 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -196.413 -
4 Cu54C - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -0.000 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -1.248 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -198.094 -
5 Cu54N - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -0.000 - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - -3.124 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -198.315 -
6 Cu54O - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 0.000 - - - -1.533 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -197.510 -
7 Cu54F - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -0.000 - - - -0.424 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -195.280 -
8 Cu54Ar ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 -0.000 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -0.025 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.598 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005