ASE database

Displaying rows 51-75 out of 594
Formula ✕ Age ✕ Number of atoms ✕ Mass ✕ Energy ✕ PBC ✕ Charge ✕ Volume ✕ Maximum force ✕ distance ✕ ads_E ✕ plane_index ✕
Au54P 13M 55 10667.168 -168.614 TTT 0.000 2654.442 0.004 2.068 -1.663 100
Au54S 13M 55 10668.255 -168.287 TTT 0.000 2654.442 0.009 2.223 -2.279 100
Au54Cl 13M 55 10671.645 -167.708 TTT 0.000 2654.442 0.008 2.348 -2.402 100
Au54Ar 13M 55 10676.143 -165.092 TTT 0.000 2654.442 0.005 3.732 -0.003 100
Au72H 13M 73 14182.601 -221.327 TTT 0.000 3649.858 0.010 0.550 -1.683 110
Au72He 13M 73 14185.596 -218.530 TTT 0.000 3649.858 0.008 3.257 -0.005 110
Au72Li 13M 73 14188.533 -221.779 TTT 0.000 3649.858 0.010 1.239 -2.954 110
Au72Be 13M 73 14190.605 -222.351 TTT 0.000 3649.858 0.007 0.506 -3.785 110
Au72B 13M 73 14192.403 -223.965 TTT 0.000 3649.858 0.009 0.212 -5.089 110
Au72C 13M 73 14193.604 -224.158 TTT 0.000 3649.858 0.009 0.153 -4.383 110
Au72N 13M 73 14195.600 -223.660 TTT 0.000 3649.858 0.007 0.283 -2.009 110
Au72O 13M 73 14197.592 -223.013 TTT 0.000 3649.858 0.008 0.490 -2.954 110
Au72F 13M 73 14200.591 -221.958 TTT 0.000 3649.858 0.010 1.058 -3.008 110
Au72Ne 13M 73 14201.773 -218.548 TTT 0.000 3649.858 0.008 3.091 -0.008 110
Au72Na 13M 73 14204.583 -221.255 TTT 0.000 3649.858 0.006 1.723 -2.503 110
Au72Mg 13M 73 14205.898 -221.237 TTT 0.000 3649.858 0.005 1.112 -2.706 110
AlAu72 13M 73 14208.575 -223.165 TTT 0.000 3649.858 0.005 0.784 -4.343 110
Au72Si 13M 73 14209.678 -224.334 TTT 0.000 3649.858 0.007 0.676 -4.977 110
Au72P 13M 73 14212.567 -224.246 TTT 0.000 3649.858 0.009 0.689 -3.831 110
Au72S 13M 73 14213.653 -222.981 TTT 0.000 3649.858 0.005 0.863 -3.509 110
Au72Cl 13M 73 14217.043 -221.174 TTT 0.000 3649.858 0.010 1.609 -2.405 110
Au72Ar 13M 73 14221.541 -218.555 TTT 0.000 3649.858 0.007 3.253 -0.002 110
Au72H 13M 73 14182.601 -221.601 TTT 0.000 3649.858 0.009 0.625 -1.957 110
Au72He 13M 73 14185.596 -218.530 TTT 0.000 3649.858 0.010 3.259 -0.005 110
Au72Li 13M 73 14188.533 -221.672 TTT 0.000 3649.858 0.010 1.284 -2.846 110