ASE database

ID Formula str_E Mass Magnetic moment Calculator plane_index ads_E
76 Au72Be -222.247 14190.605 0.000 vasp 110 -3.681
77 Au72B -224.037 14192.403 0.000 vasp 110 -5.161
78 Au72C -224.356 14193.604 0.000 vasp 110 -4.581
79 Au72N -223.581 14195.600 0.000 vasp 110 -1.930
80 Au72O -223.229 14197.592 -0.000 vasp 110 -3.169
81 Au72F -222.245 14200.591 0.000 vasp 110 -3.294
82 Au72Ne -218.548 14201.773 0.000 vasp 110 -0.009
83 Au72Na -221.145 14204.583 -0.000 vasp 110 -2.393
84 Au72Mg -220.986 14205.898 -0.000 vasp 110 -2.455
85 AlAu72 -222.861 14208.575 0.000 vasp 110 -4.039
86 Au72Si -223.955 14209.678 -0.000 vasp 110 -4.598
87 Au72P -223.843 14212.567 -0.000 vasp 110 -3.429
88 Au72S -222.907 14213.653 -0.000 vasp 110 -3.435
89 Au72Cl -221.497 14217.043 -0.000 vasp 110 -2.727
90 Au72Ar -218.552 14221.541 -0.000 vasp 110 0.000
91 Au72H -221.957 14182.601 0.000 vasp 110 -2.313
92 Au72He -218.530 14185.596 0.000 vasp 110 -0.005
93 Au72Li -221.258 14188.533 -0.000 vasp 110 -2.432
94 Au72Be -221.998 14190.605 -0.000 vasp 110 -3.432
95 Au72B -224.163 14192.403 -0.000 vasp 110 -5.288
96 Au72C -224.114 14193.604 -0.000 vasp 110 -4.339
97 Au72N -223.914 14195.600 0.000 vasp 110 -2.263
98 Au72O -223.523 14197.592 -0.000 vasp 110 -3.463
99 Au72F -222.402 14200.591 -0.000 vasp 110 -3.451
100 Au72Ne -218.547 14201.773 -0.000 vasp 110 -0.007