ASE database

Formula str_E distance ads_E Energy atom_E ads_site Age PBC Magnetic moment plane_index
Cu54Mg -191.772 -2.159 -1.176 -191.772 -0.004 0t 15M TTT -0.000 100
AlCu54 -193.507 -2.068 -2.620 -193.507 -0.295 0t 15M TTT -0.000 100
Cu54Si -194.649 -1.681 -3.227 -194.649 -0.830 0t 15M TTT -0.000 100
Cu54P -195.052 -1.507 -2.572 -195.052 -1.888 0t 15M TTT -0.000 100
Cu54S -194.780 -1.779 -3.243 -194.780 -0.945 0t 15M TTT -0.000 100
Cu54Cl -193.885 -2.170 -3.050 -193.885 -0.243 0t 15M TTT 0.000 100
Cu54Ar -190.598 -3.910 0.020 -190.598 -0.025 0t 15M TTT 0.000 100
Cu54H -194.010 1.048 -2.300 -194.010 -1.117 2b 15M TTT -0.000 100
Cu54He -190.564 3.661 0.026 -190.564 0.002 2b 15M TTT -0.000 100
Cu54Li -192.948 1.985 -2.057 -192.948 -0.299 2b 15M TTT -0.000 100
BeCu54 -192.689 1.501 -2.058 -192.689 -0.039 2b 15M TTT -0.000 100
Cu54B -194.711 1.224 -3.771 -194.711 -0.349 2b 15M TTT -0.000 100
Cu54C -196.228 1.116 -4.389 -196.228 -1.248 2b 15M TTT -0.000 100
Cu54N -196.860 1.111 -3.143 -196.860 -3.124 2b 15M TTT 0.000 100
Cu54O -196.683 1.196 -4.558 -196.683 -1.533 2b 15M TTT 0.000 100
Cu54F -195.308 1.450 -4.292 -195.308 -0.424 2b 15M TTT -0.000 100
Cu54Ne -190.583 3.509 0.022 -190.583 -0.013 2b 15M TTT -0.000 100
Cu54Na -192.514 2.331 -1.697 -192.514 -0.225 2b 15M TTT 0.000 100
Cu54Mg -191.961 2.055 -1.365 -191.961 -0.004 2b 15M TTT 0.000 100
AlCu54 -193.780 1.926 -2.893 -193.780 -0.295 2b 15M TTT -0.000 100
Cu54Si -195.179 1.641 -3.756 -195.179 -0.830 2b 15M TTT -0.000 100
Cu54P -195.849 1.555 -3.368 -195.849 -1.888 2b 15M TTT -0.000 100
Cu54S -195.639 1.646 -4.102 -195.639 -0.945 2b 15M TTT -0.000 100
Cu54Cl -194.232 1.855 -3.397 -194.232 -0.243 2b 15M TTT -0.000 100
Cu54Ar -190.597 3.855 0.021 -190.597 -0.025 2b 15M TTT -0.000 100