pt_p - Prestipino/TEMpcPlot GitHub Wiki

TEMpcPlot.pt_p(atom, property)¶

Atomic properties Tables with atomic properties

Parameters:
property (str) – property type

Returns: property of the atoms

Return type: floats, string

Examples:

pt_p(34, ‘sym’)
pt_p(‘Cu’, ‘At_w’)

Notes ‘At_w’ : atomic weight
‘Z’ : atomic number
‘cov_r’ : covalent radii
‘sym’ : atomic symbol
‘e_conf’ : electronic conf.
‘ox_st’ : oxydation state
‘bon_dis’ : typical bond distances
‘edges’ : x-ray edges\