ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_25 ✕ no_equ_28 ✕ no_equ_26 ✕ no_equ_12 ✕ Volume ✕ no_equ_27 ✕ no_equ_21 ✕ PBC ✕ no_equ_20 ✕ Magnetic moment ✕ no_equ_9 ✕
1 Cu54Li - - - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 1730.483 - - TTT - 0.000 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 - - - ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 1730.483 - - TTT - -0.000 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B - - - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 1730.483 - - TTT - 0.000 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C - - - ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 1730.483 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 TTT ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -0.000 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N - - - ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 1730.483 - - TTT - -0.000 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O - - - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 1730.483 - - TTT - 0.000 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F - - - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 1730.483 - - TTT - -0.000 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 1730.483 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 TTT ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -0.000 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016