ASE database

Displaying rows 51-75 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Charge ✕ Mass ✕ Volume ✕ Username ✕ str_E ✕
51 Au54P vasp 0.000 10667.168 2654.442 hecc -168.614
52 Au54S vasp 0.000 10668.255 2654.442 hecc -168.287
53 Au54Cl vasp 0.000 10671.645 2654.442 hecc -167.708
54 Au54Ar vasp 0.000 10676.143 2654.442 hecc -165.092
55 Au72H vasp 0.000 14182.601 3649.858 hecc -221.327
56 Au72He vasp 0.000 14185.596 3649.858 hecc -218.530
57 Au72Li vasp 0.000 14188.533 3649.858 hecc -221.779
58 Au72Be vasp 0.000 14190.605 3649.858 hecc -222.351
59 Au72B vasp 0.000 14192.403 3649.858 hecc -223.965
60 Au72C vasp 0.000 14193.604 3649.858 hecc -224.158
61 Au72N vasp 0.000 14195.600 3649.858 hecc -223.660
62 Au72O vasp 0.000 14197.592 3649.858 hecc -223.013
63 Au72F vasp 0.000 14200.591 3649.858 hecc -221.958
64 Au72Ne vasp 0.000 14201.773 3649.858 hecc -218.548
65 Au72Na vasp 0.000 14204.583 3649.858 hecc -221.255
66 Au72Mg vasp 0.000 14205.898 3649.858 hecc -221.237
67 AlAu72 vasp 0.000 14208.575 3649.858 hecc -223.165
68 Au72Si vasp 0.000 14209.678 3649.858 hecc -224.334
69 Au72P vasp 0.000 14212.567 3649.858 hecc -224.246
70 Au72S vasp 0.000 14213.653 3649.858 hecc -222.981
71 Au72Cl vasp 0.000 14217.043 3649.858 hecc -221.174
72 Au72Ar vasp 0.000 14221.541 3649.858 hecc -218.555
73 Au72H vasp 0.000 14182.601 3649.858 hecc -221.601
74 Au72He vasp 0.000 14185.596 3649.858 hecc -218.530
75 Au72Li vasp 0.000 14188.533 3649.858 hecc -221.672