ASE database

Displaying rows 76-8 out of 8
↓ ID ✕ Formula ✕ ads_E ✕ slab_E ✕ str_E ✕ Calculator ✕ Username ✕ atom_E ✕
76 Au72Be -3.681 -218.527 -222.247 vasp hecc -0.039
77 Au72B -5.161 -218.527 -224.037 vasp hecc -0.349
78 Au72C -4.581 -218.527 -224.356 vasp hecc -1.248
79 Au72N -1.930 -218.527 -223.581 vasp hecc -3.124
80 Au72O -3.169 -218.527 -223.229 vasp hecc -1.533
81 Au72F -3.294 -218.527 -222.245 vasp hecc -0.424
82 Au72Ne -0.009 -218.527 -218.548 vasp hecc -0.013
83 Au72Na -2.393 -218.527 -221.145 vasp hecc -0.225
84 Au72Mg -2.455 -218.527 -220.986 vasp hecc -0.004
85 AlAu72 -4.039 -218.527 -222.861 vasp hecc -0.295
86 Au72Si -4.598 -218.527 -223.955 vasp hecc -0.830
87 Au72P -3.429 -218.527 -223.843 vasp hecc -1.888
88 Au72S -3.435 -218.527 -222.907 vasp hecc -0.945
89 Au72Cl -2.727 -218.527 -221.497 vasp hecc -0.243
90 Au72Ar 0.000 -218.527 -218.552 vasp hecc -0.025
91 Au72H -2.313 -218.527 -221.957 vasp hecc -1.117
92 Au72He -0.005 -218.527 -218.530 vasp hecc 0.002
93 Au72Li -2.432 -218.527 -221.258 vasp hecc -0.299
94 Au72Be -3.432 -218.527 -221.998 vasp hecc -0.039
95 Au72B -5.288 -218.527 -224.163 vasp hecc -0.349
96 Au72C -4.339 -218.527 -224.114 vasp hecc -1.248
97 Au72N -2.263 -218.527 -223.914 vasp hecc -3.124
98 Au72O -3.463 -218.527 -223.523 vasp hecc -1.533
99 Au72F -3.451 -218.527 -222.402 vasp hecc -0.424
100 Au72Ne -0.007 -218.527 -218.547 vasp hecc -0.013