ASE database

Displaying rows 76-100 out of 594
Formula ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕ Energy ✕ slab_E ✕ Charge ✕ plane_index ✕ PBC ✕ ads_site ✕ Mass ✕ Username ✕ Calculator ✕ Magnetic moment ✕
Au72Be 3649.858 -0.039 73 13M 0.376 0.013 -0.299 0.009 -222.247 -218.527 0.000 110 TTT 3b 14190.605 hecc vasp 0.000
Au72B 3649.858 -0.349 73 13M 0.004 0.012 0.021 0.006 -224.037 -218.527 0.000 110 TTT 3b 14192.403 hecc vasp 0.000
Au72C 3649.858 -1.248 73 13M -0.057 0.011 0.079 0.007 -224.356 -218.527 0.000 110 TTT 3b 14193.604 hecc vasp 0.000
Au72N 3649.858 -3.124 73 13M 1.019 0.012 0.957 0.009 -223.581 -218.527 0.000 110 TTT 3b 14195.600 hecc vasp 0.000
Au72O 3649.858 -1.533 73 13M 1.128 0.012 1.357 0.010 -223.229 -218.527 0.000 110 TTT 3b 14197.592 hecc vasp -0.000
Au72F 3649.858 -0.424 73 13M 1.287 0.012 1.379 0.009 -222.245 -218.527 0.000 110 TTT 3b 14200.591 hecc vasp 0.000
Au72Ne 3649.858 -0.013 73 13M 3.219 0.013 -0.009 0.007 -218.548 -218.527 0.000 110 TTT 3b 14201.773 hecc vasp 0.000
Au72Na 3649.858 -0.225 73 13M 1.783 0.014 -3.991 0.004 -221.145 -218.527 0.000 110 TTT 3b 14204.583 hecc vasp -0.000
Au72Mg 3649.858 -0.004 73 13M 1.048 0.013 -2.085 0.005 -220.986 -218.527 0.000 110 TTT 3b 14205.898 hecc vasp -0.000
AlAu72 3649.858 -0.295 73 13M 0.555 0.013 -0.667 0.006 -222.861 -218.527 0.000 110 TTT 3b 14208.575 hecc vasp 0.000
Au72Si 3649.858 -0.830 73 13M 0.496 0.013 -0.217 0.009 -223.955 -218.527 0.000 110 TTT 3b 14209.678 hecc vasp -0.000
Au72P 3649.858 -1.888 73 13M 0.638 0.012 -0.015 0.007 -223.843 -218.527 0.000 110 TTT 3b 14212.567 hecc vasp -0.000
Au72S 3649.858 -0.945 73 13M 1.456 0.012 0.997 0.009 -222.907 -218.527 0.000 110 TTT 3b 14213.653 hecc vasp -0.000
Au72Cl 3649.858 -0.243 73 13M 1.702 0.012 1.110 0.010 -221.497 -218.527 0.000 110 TTT 3b 14217.043 hecc vasp -0.000
Au72Ar 3649.858 -0.025 73 13M 3.199 0.013 -0.110 0.006 -218.552 -218.527 0.000 110 TTT 3b 14221.541 hecc vasp -0.000
Au72H 3649.858 -1.117 73 13M 1.011 0.013 0.080 0.008 -221.957 -218.527 0.000 110 TTT 1b 14182.601 hecc vasp 0.000
Au72He 3649.858 0.002 73 13M 3.531 0.013 -0.023 0.009 -218.530 -218.527 0.000 110 TTT 1b 14185.596 hecc vasp 0.000
Au72Li 3649.858 -0.299 73 13M 2.014 0.014 -4.421 0.009 -221.258 -218.527 0.000 110 TTT 1b 14188.533 hecc vasp -0.000
Au72Be 3649.858 -0.039 73 13M 0.794 0.012 -1.284 0.006 -221.998 -218.527 0.000 110 TTT 1b 14190.605 hecc vasp -0.000
Au72B 3649.858 -0.349 73 13M -1.286 0.012 -0.273 0.007 -224.163 -218.527 0.000 110 TTT 1b 14192.403 hecc vasp -0.000
Au72C 3649.858 -1.248 73 13M 0.883 0.012 0.571 0.009 -224.114 -218.527 0.000 110 TTT 1b 14193.604 hecc vasp -0.000
Au72N 3649.858 -3.124 73 13M 1.085 0.013 1.173 0.010 -223.914 -218.527 0.000 110 TTT 1b 14195.600 hecc vasp 0.000
Au72O 3649.858 -1.533 73 13M 1.199 0.013 1.637 0.010 -223.523 -218.527 0.000 110 TTT 1b 14197.592 hecc vasp -0.000
Au72F 3649.858 -0.424 73 13M 1.545 0.013 1.741 0.009 -222.402 -218.527 0.000 110 TTT 1b 14200.591 hecc vasp -0.000
Au72Ne 3649.858 -0.013 73 13M 3.558 0.013 -0.015 0.007 -218.547 -218.527 0.000 110 TTT 1b 14201.773 hecc vasp -0.000