MPculeID

class emmet.core.mpid.MPculeID(val)

Bases: str

A Materials Project Molecule ID with a prefix, hash, and two integer values

representing the charge and spin of the molecule

Unlike the MPID, you cannot compare raw hashes or raw integers to MPculeIDs

Args:
val: Either 1) an MPculeID

  1. a prefixed string of format “prefix-hash-formula-charge-spin”

  2. a non-prefixed string of format “hash-formula-charge-spin”

Numbers stored as strings are coerced to ints

Parameters:

val (MPculeID | str)