ASE database

Displaying rows 51-8 out of 8
Formula ✕ Mass ✕ Calculator ✕ distance ✕ Energy ✕ PBC ✕ ads_E ✕ Volume ✕
Au54P 10667.168 vasp 2.068 -168.614 TTT -1.663 2654.442
Au54S 10668.255 vasp 2.223 -168.287 TTT -2.279 2654.442
Au54Cl 10671.645 vasp 2.348 -167.708 TTT -2.402 2654.442
Au54Ar 10676.143 vasp 3.732 -165.092 TTT -0.003 2654.442
Au72H 14182.601 vasp 0.550 -221.327 TTT -1.683 3649.858
Au72He 14185.596 vasp 3.257 -218.530 TTT -0.005 3649.858
Au72Li 14188.533 vasp 1.239 -221.779 TTT -2.954 3649.858
Au72Be 14190.605 vasp 0.506 -222.351 TTT -3.785 3649.858
Au72B 14192.403 vasp 0.212 -223.965 TTT -5.089 3649.858
Au72C 14193.604 vasp 0.153 -224.158 TTT -4.383 3649.858
Au72N 14195.600 vasp 0.283 -223.660 TTT -2.009 3649.858
Au72O 14197.592 vasp 0.490 -223.013 TTT -2.954 3649.858
Au72F 14200.591 vasp 1.058 -221.958 TTT -3.008 3649.858
Au72Ne 14201.773 vasp 3.091 -218.548 TTT -0.008 3649.858
Au72Na 14204.583 vasp 1.723 -221.255 TTT -2.503 3649.858
Au72Mg 14205.898 vasp 1.112 -221.237 TTT -2.706 3649.858
AlAu72 14208.575 vasp 0.784 -223.165 TTT -4.343 3649.858
Au72Si 14209.678 vasp 0.676 -224.334 TTT -4.977 3649.858
Au72P 14212.567 vasp 0.689 -224.246 TTT -3.831 3649.858
Au72S 14213.653 vasp 0.863 -222.981 TTT -3.509 3649.858
Au72Cl 14217.043 vasp 1.609 -221.174 TTT -2.405 3649.858
Au72Ar 14221.541 vasp 3.253 -218.555 TTT -0.002 3649.858
Au72H 14182.601 vasp 0.625 -221.601 TTT -1.957 3649.858
Au72He 14185.596 vasp 3.259 -218.530 TTT -0.005 3649.858
Au72Li 14188.533 vasp 1.284 -221.672 TTT -2.846 3649.858