Comments (2)
The Matcalc open databases do not work directly in pycalphad without modification. We have pre-modified copies available in this workshop repository: https://github.com/materialsgenomefoundation/2023-workshop-material/tree/03be5e6300feffc9350ad5094b7e9485b26f1c42/pycalphad/databases
I do notice that there are new versions available on the Matcalc website. We haven't modified the new versions yet.
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Thank you very much for the fast response!
I tried the database "mc_al_v2.032.pycalphad.tdb" in the following code, using Jupyter notebook:
%matplotlib inline
from pycalphad import Database, ternplot
from pycalphad import variables as v
tdb = Database('mc_al_v2.032.pycalphad.tdb')
comps = ['AL', 'TI', 'CU', 'VA']
phases = list(tdb.phases.keys())
conds = {v.T: 1073, v.P:101325, v.X('AL'): (0,1,0.015), v.X('TI'): (0,1,0.015)}
%time ternplot(tdb, comps, phases, conds, x=v.X('AL'), y=v.X('TI'))
,but now the following Value error occurs:
ValueError: Number of interstitial sublattices for the disordered phase (1) and the ordered phase (5) do not match. Got substitutional sublattice indices of [].
Is this a known error or can you maybe help me with that?
Thank you!
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