ASE database

Displaying rows 1-8 out of 8
Formula ✕ Magnetic moment ✕ Age ✕ no_equ_16 ✕ Energy ✕ Number of atoms ✕ no_equ_26 ✕ no_equ_18 ✕ no_equ_31 ✕ PBC ✕ plane_index ✕ ads_site ✕ no_equ_27 ✕ no_equ_15 ✕ no_equ_24 ✕ Username ✕ no_equ_8 ✕
Cu54Li 0.000 13M ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -193.113 55 - - - TTT 100 f - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - hecc ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
BeCu54 -0.000 13M ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -193.566 55 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - TTT 100 f - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - hecc ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
Cu54B 0.000 13M ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -196.413 55 - - - TTT 100 f - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - hecc ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
Cu54C -0.000 13M ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -198.094 55 - ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - TTT 100 f - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - hecc ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
Cu54N -0.000 13M ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -198.315 55 - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - TTT 100 f - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - hecc ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
Cu54O 0.000 13M ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -197.510 55 - - - TTT 100 f - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - hecc ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
Cu54F -0.000 13M - -195.280 55 - - - TTT 100 f - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - hecc ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
Cu54Ar -0.000 13M ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.598 55 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 TTT 100 f ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 hecc ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017