pymatgen.analysis.pourbaix.maker module¶

class PourbaixDiagram(entries, comp_dict=None)[source]

Bases: object

Class to create a Pourbaix diagram from entries :param entries: Entries list containing both Solids and Ions :param comp_dict: Dictionary of compositions

all_entries

Return all entries

facets

Facets of the convex hull in the form of [[1,2,3],[4,5,6]...]

qhull_data

Data used in the convex hull operation. This is essentially a matrix of composition data and energy per atom values created from qhull_entries.

qhull_entries

Return qhull entries

stable_entries

Returns the stable entries in the Pourbaix diagram.

unprocessed_entries

Return unprocessed entries

unstable_entries

Returns all unstable entries in the Pourbaix diagram

vertices

Return vertices of the convex hull