ASE database

ID Formula Energy Mass Calculator Magnetic moment distance ads_E
76 Au72Be -222.247 14190.605 vasp 0.000 0.376 -3.681
77 Au72B -224.037 14192.403 vasp 0.000 0.004 -5.161
78 Au72C -224.356 14193.604 vasp 0.000 -0.057 -4.581
79 Au72N -223.581 14195.600 vasp 0.000 1.019 -1.930
80 Au72O -223.229 14197.592 vasp -0.000 1.128 -3.169
81 Au72F -222.245 14200.591 vasp 0.000 1.287 -3.294
82 Au72Ne -218.548 14201.773 vasp 0.000 3.219 -0.009
83 Au72Na -221.145 14204.583 vasp -0.000 1.783 -2.393
84 Au72Mg -220.986 14205.898 vasp -0.000 1.048 -2.455
85 AlAu72 -222.861 14208.575 vasp 0.000 0.555 -4.039
86 Au72Si -223.955 14209.678 vasp -0.000 0.496 -4.598
87 Au72P -223.843 14212.567 vasp -0.000 0.638 -3.429
88 Au72S -222.907 14213.653 vasp -0.000 1.456 -3.435
89 Au72Cl -221.497 14217.043 vasp -0.000 1.702 -2.727
90 Au72Ar -218.552 14221.541 vasp -0.000 3.199 0.000
91 Au72H -221.957 14182.601 vasp 0.000 1.011 -2.313
92 Au72He -218.530 14185.596 vasp 0.000 3.531 -0.005
93 Au72Li -221.258 14188.533 vasp -0.000 2.014 -2.432
94 Au72Be -221.998 14190.605 vasp -0.000 0.794 -3.432
95 Au72B -224.163 14192.403 vasp -0.000 -1.286 -5.288
96 Au72C -224.114 14193.604 vasp -0.000 0.883 -4.339
97 Au72N -223.914 14195.600 vasp 0.000 1.085 -2.263
98 Au72O -223.523 14197.592 vasp -0.000 1.199 -3.463
99 Au72F -222.402 14200.591 vasp -0.000 1.545 -3.451
100 Au72Ne -218.547 14201.773 vasp -0.000 3.558 -0.007