ASE database

Displaying rows 76-8 out of 8
↓ ID ✕ Formula ✕ Mass ✕ str_E ✕ Maximum force ✕ Dipole_val ✕ Username ✕ ads_E ✕ Calculator ✕
76 Au72Be 14190.605 -222.247 0.009 -0.299 hecc -3.681 vasp
77 Au72B 14192.403 -224.037 0.006 0.021 hecc -5.161 vasp
78 Au72C 14193.604 -224.356 0.007 0.079 hecc -4.581 vasp
79 Au72N 14195.600 -223.581 0.009 0.957 hecc -1.930 vasp
80 Au72O 14197.592 -223.229 0.010 1.357 hecc -3.169 vasp
81 Au72F 14200.591 -222.245 0.009 1.379 hecc -3.294 vasp
82 Au72Ne 14201.773 -218.548 0.007 -0.009 hecc -0.009 vasp
83 Au72Na 14204.583 -221.145 0.004 -3.991 hecc -2.393 vasp
84 Au72Mg 14205.898 -220.986 0.005 -2.085 hecc -2.455 vasp
85 AlAu72 14208.575 -222.861 0.006 -0.667 hecc -4.039 vasp
86 Au72Si 14209.678 -223.955 0.009 -0.217 hecc -4.598 vasp
87 Au72P 14212.567 -223.843 0.007 -0.015 hecc -3.429 vasp
88 Au72S 14213.653 -222.907 0.009 0.997 hecc -3.435 vasp
89 Au72Cl 14217.043 -221.497 0.010 1.110 hecc -2.727 vasp
90 Au72Ar 14221.541 -218.552 0.006 -0.110 hecc 0.000 vasp
91 Au72H 14182.601 -221.957 0.008 0.080 hecc -2.313 vasp
92 Au72He 14185.596 -218.530 0.009 -0.023 hecc -0.005 vasp
93 Au72Li 14188.533 -221.258 0.009 -4.421 hecc -2.432 vasp
94 Au72Be 14190.605 -221.998 0.006 -1.284 hecc -3.432 vasp
95 Au72B 14192.403 -224.163 0.007 -0.273 hecc -5.288 vasp
96 Au72C 14193.604 -224.114 0.009 0.571 hecc -4.339 vasp
97 Au72N 14195.600 -223.914 0.010 1.173 hecc -2.263 vasp
98 Au72O 14197.592 -223.523 0.010 1.637 hecc -3.463 vasp
99 Au72F 14200.591 -222.402 0.009 1.741 hecc -3.451 vasp
100 Au72Ne 14201.773 -218.547 0.007 -0.015 hecc -0.007 vasp