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None radius for He Ne

Open LanceKnight opened this issue 3 years ago • 2 comments

Hello, I'm a new user of pymatgen. When I try to calculate the radius of He and Ne, I got None. I guess this is designed so on purpose. Can someone explain to me why?

LanceKnight avatar Jun 10 '21 01:06 LanceKnight

This is just that there is no provided radius in the data source, https://github.com/materialsproject/pymatgen/blob/master/pymatgen/core/periodic_table.json

e.g. for He

   "He":{
      "Atomic mass":4.002602,
      "Atomic no":2,
      "Atomic orbitals":{
         "1s":-0.570425
      },
      "Atomic radius":"no data",
      "Atomic radius calculated":0.31,
      "Boiling point":"4.22 K",
      "Brinell hardness":"no data MN m<sup>-2</sup>",

CompRhys avatar Oct 24 '21 12:10 CompRhys

Thanks!

LanceKnight avatar Nov 04 '21 22:11 LanceKnight