In [1]:

    

from pycalphad import Database, Model


    

In [2]:

    

dbf = Database(open('cuo_05sch.tdb', encoding='latin-1'))


    

In [3]:

    

dbf.phases['GAS']


    

    
Out[3]:





Phase({'constituents': (frozenset({Species('O2', 'O2.0')}),), 'sublattices': (1.0,), 'name': 'GAS', 'model_hints': {'gas': True}})

In [4]:

    

mod = Model(dbf, ['O'], 'GAS')


    

In [5]:

    

from pycalphad import calculate
res =calculate(dbf, ['O'], 'GAS', T=1000, P=1e5)


    

In [6]:

    

res.X


    

    
Out[6]:





<xarray.DataArray 'X' (P: 1, T: 1, points: 1, component: 1)>
array([[[[ 1.]]]])
Coordinates:
  * T          (T) float64 1e+03
  * component  (component) <U1 'O'
  * P          (P) float64 1e+05
  * points     (points) int64 0

In [7]:

    

res.GM


    

    
Out[7]:





<xarray.DataArray 'GM' (P: 1, T: 1, points: 1)>
array([[[-110380.61070975]]])
Coordinates:
  * T        (T) float64 1e+03
  * P        (P) float64 1e+05
  * points   (points) int64 0

In [8]:

    

mod.moles('O')


    

    
Out[8]:





1.00000000000000

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