ASE database

Displaying rows 51-8 out of 8
↓ ID ✕ Formula ✕ distance ✕ Username ✕ Calculator ✕ Mass ✕ Number of atoms ✕ Age ✕ str_E ✕
51 Au54P 2.068 hecc vasp 10667.168 55 13M -168.614
52 Au54S 2.223 hecc vasp 10668.255 55 13M -168.287
53 Au54Cl 2.348 hecc vasp 10671.645 55 13M -167.708
54 Au54Ar 3.732 hecc vasp 10676.143 55 13M -165.092
55 Au72H 0.550 hecc vasp 14182.601 73 13M -221.327
56 Au72He 3.257 hecc vasp 14185.596 73 13M -218.530
57 Au72Li 1.239 hecc vasp 14188.533 73 13M -221.779
58 Au72Be 0.506 hecc vasp 14190.605 73 13M -222.351
59 Au72B 0.212 hecc vasp 14192.403 73 13M -223.965
60 Au72C 0.153 hecc vasp 14193.604 73 13M -224.158
61 Au72N 0.283 hecc vasp 14195.600 73 13M -223.660
62 Au72O 0.490 hecc vasp 14197.592 73 13M -223.013
63 Au72F 1.058 hecc vasp 14200.591 73 13M -221.958
64 Au72Ne 3.091 hecc vasp 14201.773 73 13M -218.548
65 Au72Na 1.723 hecc vasp 14204.583 73 13M -221.255
66 Au72Mg 1.112 hecc vasp 14205.898 73 13M -221.237
67 AlAu72 0.784 hecc vasp 14208.575 73 13M -223.165
68 Au72Si 0.676 hecc vasp 14209.678 73 13M -224.334
69 Au72P 0.689 hecc vasp 14212.567 73 13M -224.246
70 Au72S 0.863 hecc vasp 14213.653 73 13M -222.981
71 Au72Cl 1.609 hecc vasp 14217.043 73 13M -221.174
72 Au72Ar 3.253 hecc vasp 14221.541 73 13M -218.555
73 Au72H 0.625 hecc vasp 14182.601 73 13M -221.601
74 Au72He 3.259 hecc vasp 14185.596 73 13M -218.530
75 Au72Li 1.284 hecc vasp 14188.533 73 13M -221.672