ASE database

Displaying rows 51-8 out of 8
↓ ID ✕ Formula ✕ str_E ✕ Calculator ✕ Mass ✕ slab_E ✕ distance ✕
51 Au54P -168.614 vasp 10667.168 -165.064 2.068
52 Au54S -168.287 vasp 10668.255 -165.064 2.223
53 Au54Cl -167.708 vasp 10671.645 -165.064 2.348
54 Au54Ar -165.092 vasp 10676.143 -165.064 3.732
55 Au72H -221.327 vasp 14182.601 -218.527 0.550
56 Au72He -218.530 vasp 14185.596 -218.527 3.257
57 Au72Li -221.779 vasp 14188.533 -218.527 1.239
58 Au72Be -222.351 vasp 14190.605 -218.527 0.506
59 Au72B -223.965 vasp 14192.403 -218.527 0.212
60 Au72C -224.158 vasp 14193.604 -218.527 0.153
61 Au72N -223.660 vasp 14195.600 -218.527 0.283
62 Au72O -223.013 vasp 14197.592 -218.527 0.490
63 Au72F -221.958 vasp 14200.591 -218.527 1.058
64 Au72Ne -218.548 vasp 14201.773 -218.527 3.091
65 Au72Na -221.255 vasp 14204.583 -218.527 1.723
66 Au72Mg -221.237 vasp 14205.898 -218.527 1.112
67 AlAu72 -223.165 vasp 14208.575 -218.527 0.784
68 Au72Si -224.334 vasp 14209.678 -218.527 0.676
69 Au72P -224.246 vasp 14212.567 -218.527 0.689
70 Au72S -222.981 vasp 14213.653 -218.527 0.863
71 Au72Cl -221.174 vasp 14217.043 -218.527 1.609
72 Au72Ar -218.555 vasp 14221.541 -218.527 3.253
73 Au72H -221.601 vasp 14182.601 -218.527 0.625
74 Au72He -218.530 vasp 14185.596 -218.527 3.259
75 Au72Li -221.672 vasp 14188.533 -218.527 1.284