!pip install pymatgen
from pymatgen.core.periodic_table import Element
from pandas import DataFrame

elements_ = []
for elem in dir(Element):
  if not elem.startswith('_'):
    if Element(elem)is not None:
      elements_.append(elem)
else:
  print('# of elements:', len(elements_))

list_atomic_orbitals = [Element(elem).atomic_orbitals for elem in elements_]
list_atomic_orbitals = [{} if a_orbits is None else a_orbits for a_orbits in list_atomic_orbitals]

df_orbits = DataFrame(list_atomic_orbitals, index=elements_).fillna(0.)
df_orbits.sample(5)

list_attrs = ["mendeleev_no", "electrical_resistivity",
                    "velocity_of_sound", "reflectivity",
                    "refractive_index", "poissons_ratio", "molar_volume",
                    "electronic_structure", "thermal_conductivity",
                    "boiling_point", "melting_point",
                    "critical_temperature", "superconduction_temperature",
                    "liquid_range", "bulk_modulus", "youngs_modulus",
                    "brinell_hardness", "rigidity_modulus",
                    "mineral_hardness", "vickers_hardness",
                    "density_of_solid", "atomic_radius_calculated",
                    "van_der_waals_radius", 
                    "coefficient_of_linear_thermal_expansion",
                    "ground_state_term_symbol", "valence"]

for elem in elements_:
  e = Element(elem)
  for attr in list_attrs:
    try:
      getattr(e, attr)
    except TypeError:
      print(elem, attr)
    except IndexError:
      print(elem, attr)
    except ValueError:
      print(elem, attr)

from pymatgen.core.units import FloatWithUnit

list_attrs_numel = []
isa_ = lambda v, dtype: type(v)is dtype
for elem in elements_:
  e = Element(elem)
  for attr in list_attrs[:-2]:
    value = getattr(e, attr)
    if isa_(value,FloatWithUnit) or isa_(value,float) or isa_(value,int):
      list_attrs_numel.append(attr)
else:
  print(len(set(list_attrs_numel)), set(list_attrs_numel))

def c_(value):
  """Safe cast from FloatWithUnit, float and int to float, float and int"""
  if isa_(value, FloatWithUnit):
    return float(value)
  else:
    return value

list_attrs_numel = list(set(list_attrs_numel)) # uniquify
data_array = [ [c_(getattr(Element(elem), attr))for attr in list_attrs_numel] for elem in elements_]

df_attrs = DataFrame(data_array, index=elements_, columns=list_attrs_numel).fillna(0.)
df_attrs.sample(10)