]
relevant_entries = sorted(relevant_entries,
key=lambda e: e.energy_per_atom)
return relevant_entries[0]
def get_comp_entries(formula, all_entries):
relevant_entries = [
entry for entry in all_entries if entry.composition.reduced_formula ==
Composition(formula).reduced_formula
]
return relevant_entries
def find_entry_index(formula, all_entries):
entry_index = [
all_entries.index(entry) for entry in all_entries
if entry.composition.reduced_formula == Composition(
formula).reduced_formula
]
return entry_index
rester = MPRester(
'5TxDLF4Iwa7rGcAl') #Generate your own key from materials project..
mp_entries = rester.get_entries_in_chemsys(["Li", "Fe", "O", "S"])
pd = PhaseDiagram(mp_entries)
plotter = PDPlotter(pd)
plotter.show()
