atomic_data

The periodic table

symbolslist of chemical symbols

The list index is also the atomic number in the periodic table. index=0 is set but not used. symbols[1] == 'H', …

masses1d array (len(symbols,))

Atomic masses in amu.

covalent_radii1d array (len(symbols,))

Covalent radii in Angsttom.

numbersdict

Mapping of symbols to numbers: numbers['H'] = 1.

ptdict

The periodic table. Maping of symbol to a dict of other quantities:

>>> atomic_data.pt['H']
{'cov_rad': 0.31, 'mass': 1.0079400000000001, 'number': 1}

Notes

Got that from here. Finding such a list on the net is not as easy as you might think. Search for “list of chemical elements”.

Replaced masses like

9.012182(3) -> 9.012182
[227] -> 227

Covalent radii shamelessly stolen from ase.

covalent_radii

ndarray(shape, dtype=float, buffer=None, offset=0,

masses

ndarray(shape, dtype=float, buffer=None, offset=0,

missing

int([x]) -> integer int(x, base=10) -> integer

numbers

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).

pt

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).

symbols

Built-in mutable sequence.