<?xml version="1.0"?>
<ctml>
  <validate reactions="yes" species="yes"/>

  <!-- phase LiC6_and_Vacancies     -->
  <phase dim="3" id="LiC6_and_Vacancies">
    <elementArray datasrc="elements.xml"> Li C </elementArray>
    <speciesArray datasrc="#species_data">Li(C6) V(C6)</speciesArray>
    <state>
      <temperature units="K">298.15</temperature>
      <pressure units="Pa">101325.0</pressure>
      <moleFractions>Li(C6):0.6,V(C6):0.4</moleFractions>
    </state>
    <thermo model="Redlich-Kister">
      <density units="kg/m3">2000.0</density>

      <activityCoefficients model="Redlich-Kister">

        <binaryNeutralSpeciesParameters speciesA="Li(C6)" speciesB="V(C6)">
            <excessEnthalpy terms="15" units="J/kmol">
	      -3.268E6,
	       3.955E6,
	      -4.573E6,
	       6.147E6,
	      -3.339E6,
	       1.117E7,
	       2.997E5,
	      -4.866E7,
	       1.362E5,
	       1.373E8,
	      -2.129E7,
	      -1.722E8,
	       3.956E7,
	       9.302E7,
	      -3.280E7
            </excessEnthalpy>
            <excessEntropy  terms="1" units="J/kmol/K">
                 0.0
            </excessEntropy>
          </binaryNeutralSpeciesParameters>

       </activityCoefficients>

    </thermo>
    <transport model="None"/>
    <kinetics model="none"/>
  </phase>


  <!-- species definitions     -->
  <speciesData id="species_data">

    <!-- species Li(C6)    -->
    <species name="Li(C6)">
      <atomArray>C:6 Li:1 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.15</t0>
           <h0 units="kJ/mol">-11.65</h0>
           <s0 units="J/mol/K">0.0</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>

    <!-- species V(C6)    -->
    <species name="V(C6)">
      <atomArray>C:6 </atomArray>
      <thermo>
        <const_cp Tmax="5000.0" Tmin="100.0">
           <t0 units="K">298.15</t0>
           <h0 units="kJ/mol">0.0</h0>
           <s0 units="J/mol/K">0.0</s0>
           <cp0 units="J/mol/K">0.0</cp0>
        </const_cp>
      </thermo>
    </species>
  </speciesData>
  <reactionData id="reaction_data"/>
</ctml>
