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
Covalent radii shamelessly stolen from ase.
ndarray(shape, dtype=float, buffer=None, offset=0, |
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ndarray(shape, dtype=float, buffer=None, offset=0, |
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int([x]) -> integer int(x, base=10) -> integer |
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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). |
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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). |
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Built-in mutable sequence. |