Brandon Bocklund

These are the rules given by Thermo-Calc 2016b when you mess up the sublattice model: > Requirements are: > 1. The disordered phase (DP) should have max two sublattices. >...

Yes, I would be happy to add support for DAT SUBI phases. Do you know of an open database that uses SUBI that we can use to test against?

Thank you, @Skyinner, for opening this issue with all the key details. I made a minor edit to your text to use backticks (`) instead of quotes (") to get...

Some databases in the wild are starting to come about with this model for example: * Co-Ta μ phase: https://materialsdata.nist.gov/handle/11256/984 * Co-Cr σ phase: http://hdl.handle.net/11256/985 These use a keyword for...

You're correct that PyCalphad's DAT reader is not whitespace sensitive. That was my main deterrent for not implementing a DAT writer, as I don't have FactSage to test against as...

`dbf.phases[phase_name].constituents` is the sublattice model, so `len(dbf.phases[phase_name].constituents)` should be giving the number of sublattices. If each sublattice is singly occupied (looping over the sublattices as in Richard’s code above), then...

What is the purpose of dummy phases? Why are they there if they should be discarded? Do they ever affect a calculation in Thermochimica or FactSage? If dummy phases cannot...

I don't think it's quite the same, as only stoichiometric phases can be dummy phases AFAIK. And some of the phases seem like they could be reasonable (e.g. `Ni_Solid_FCC(s)`), while...

> In Thermochimica we use dummies for phase assemblage initialization. Our first phase assemblage always consists only of phases that are pure in a single element. Since such phases might...

> I think I ought to leave the treatment of suspended phases in a PyCalphad database to one of you, if that's the route you want to go. Yes, that's...