$
$ Al-Fe-N removed - not compatible with new Si-Al-O-N
$ (N-3 species removed from ionic_liq)
$ awaiting update of cr-ni-o from Alan
$
$
 TEMP-LIM 298.15 6000.00 !
$
$ ELEMENT  STABLE ELEMENT REFERENCE MASS       H298-H0    S298 !
 ELEMENT VA VACUUM                  0.0000E+00 0.0000E+00 0.0000E+00 !
 ELEMENT AL FCC_A1                  2.6982E+01 4.5773E+03 2.8321E+01 !
 ELEMENT AS RHOMBOHEDRAL_A7         7.4922E+01 0.0000E+00 0.0000E+00 !
 ELEMENT BI RHOMBOHEDRAL_A7         2.0898E+02 6.4266E+03 5.6735E+01 !
 ELEMENT C  GRAPHITE                1.2011E+01 1.0540E+03 5.7400E+00 !
 ELEMENT CA FCC_A1                  4.0080E+01 6.1965E+03 4.1589E+01 !
 ELEMENT CR BCC_A2                  51.9961    4050       23.56      !
 ELEMENT CU FCC_A1                  63.546     5.0041E+03 3.3150E+01 !
 ELEMENT FE BCC_A2                  5.5847E+01 4.4890E+03 2.7280E+01 !
 ELEMENT MG HCP_A3                  2.4305E+01 4.9980E+03 3.2671E+01 !
 ELEMENT NI FCC_A1                  58.69      4787       29.796     !
 ELEMENT O  1/2_MOLE_O2(G)          1.5999E+01 4.3410E+03 1.0252E+02 !
 ELEMENT S  FC_ORTHORHOMBIC         32.066     0.0        0.0        !
 ELEMENT SI DIAMOND_FCC_A4          2.8085E+01 3.2175E+03 1.8820E+01 !
 ELEMENT /- ELECTRON_GAS            0          0          0          !
 ELEMENT N  1/2_MOLE_N2(G)          1.4007E+01 4.3350E+03 9.5751E+01 !
$
 SPECIES AL+3                     AL1/+3                         !
 SPECIES ALN                      AL1N1                          !
 SPECIES ALO3/2                   AL1O3/2                        !
 SPECIES AL2O3                    AL2O3                          !
 SPECIES AS-3                     AS1/-3                         !
 SPECIES BI2O3                    BI2O3                          !
 SPECIES BI+3                     BI/+3                          !
 SPECIES CA+2                     CA1/+2                         !
 SPECIES CAO                      CA1O1                          !
 SPECIES CR+2                     CR/+2                          !
 SPECIES CR+3                     CR/+3                          !
 SPECIES CU+1                     CU1/+1                         !
 SPECIES CU+2                     CU/+2                          !
 SPECIES CU+3                     CU/+3                          !
 SPECIES CU2O                     CU2O1                          !
 SPECIES CUO                      CU1O1                          !
 SPECIES FE+2                     FE1/+2                         !
 SPECIES FE+3                     FE1/+3                         !
 SPECIES FE2O3                    FE2O3                          !
 SPECIES FEO                      FE1O1                          !
 SPECIES FEO3/2                   FE1O3/2                        !
 SPECIES MG+2                     MG1/+2                         !
 SPECIES MGO                      MG1O1                          !
 SPECIES N-3                      N1/-3                          !
 SPECIES N2                       N2                             !
 SPECIES N3                       N3                             !
 SPECIES NI+2                     NI/+2                          !
 SPECIES NI+3                     NI/+3                          !
 SPECIES O-2                      O1/-2                          !
 SPECIES O2                       O2                             !
 SPECIES S-2                      S1/-2                          !
 SPECIES SI+4                     SI1/+4                         !
 SPECIES SI3N4                    SI3N4                          !
 SPECIES SIN4/3                   SI1N4/3                        !
 SPECIES SIO2                     O2SI1                          !
 SPECIES SIO4-4                   O4SI1/-4                       !
$
$ PHASE NAME TYPE NR OF SUBL SITES IN EACH SUBL.
$
 PHASE GAS                     Z       1  1 !
 CONSTITUENT GAS               : N2 O2 : !
 PHASE IONIC_LIQ:Y             ZCD     2  1   1 !
 CONSTITUENT IONIC_LIQ:Y      
   : AL+3 BI+3 CA+2% CR+3 CU+1 CU+2 FE+2% MG+2% NI+2 SI+4 :
  AS-3 O-2% S-2 SIO4-4% VA ALO3/2% AS C FEO3/2% N S SIO2% ALN SIN4/3 :!
$ PHASE AL2CA                   Z       2  2   1 !
$ CONSTITUENT AL2CA             : AL : CA : !
$ PHASE AL2CASI2                Z       3  2  1  2 !
$ CONSTITUENT AL2CASI2          : AL : CA : SI : !
$ PHASE AL4CA                   Z       2  4   1 !
$ CONSTITUENT AL4CA             : AL : CA : !
 PHASE ALN                     Z  2 1   1 !
 CONSTITUENT ALN               :AL : N :  !
 PHASE ALPHA_CA2SIO4:I         Z       3  2   1   4 !
 CONSTITUENT ALPHA_CA2SIO4:I   : CA+2,MG+2 : SI+4 : O-2 : !
 PHASE ALPHA_PRIME_CA2SIO4:I    Z       3  2   1   4 !
 CONSTITUENT ALPHA_PRIME_CA2SIO4:I  : CA+2 FE+2 MG+2 : SI+4 : O-2 : !
 PHASE ANDALUSITE:I            Z       4  1  1  1  5
 > A high-pressure phase (Al2O3.SiO2) !
 CONST ANDALUSITE:I            : AL+3 : AL+3 : SI+4 : O-2 : !
 PHASE ANORTHITE:I             Z       4  1   2   2   8 
 > This is CaO.Al2O3.2SiO2 !
 CONSTITUENT ANORTHITE:I       : CA+2 : AL+3 : SI+4 : O-2 : !
 PHASE BCC_A2                  ZB   2 1 3 !
 CONSTITUENT BCC_A2            : AL AS CA% CR% CU FE% MG NI O S SI : C N VA% : !
$ PHASE BETA                    Z       2  .615   .385 
$ > This is Al0.615Mg0.385 !
$ CONSTITUENT BETA              : AL : MG : !
 PHASE C1A1:I                  Z       3  1   2  4
 > This is CaO.Al2O3 !
 CONSTITUENT C1A1:I            : CA+2 : AL+3 FE+3 : O-2 : !
 PHASE C1A2:I                  Z       3  1   4  7 
 > This is CaO.2Al2O3 !
 CONSTITUENT C1A2:I           : CA+2 : AL+3 FE+3 : O-2 : !
 PHASE C1A6:I                  Z       3  1  12  19 
 > This is CaO.6Al2O3 !
 CONSTITUENT C1A6:I            : CA+2 : AL+3 FE+3 : O-2 : !
 PHASE C3A1:I                  Z       3  3  2  6 
 > This is 3CaO.Al2O3 !
 CONSTITUENT C3A1:I            : CA+2 : AL+3 FE+3 : O-2 : !
 PHASE C3A2M1                  Z       3  3   2   1 !
 CONSTITUENT C3A2M1            : CAO : AL2O3 : MGO : !
$ PHASE CA2SI                   Z       2  2   1 !
$ CONSTITUENT CA2SI             : CA : SI : !
$ PHASE CASI                    Z       2  1   1 !
$ CONSTITUENT CASI              : CA : SI : !
$ PHASE CASI2                   Z       2  1   2 !
$ CONSTITUENT CASI2             : CA : SI : !
 PHASE CLINO_PYROXENE:I        Z       4  1   1   2   6 
 > This is also diopside (CaO.MgO.2SiO2) and pigeonite,'
> hedenbergite (CaO.FeO.2SiO2) and clino-ferrosilite FeO.SiO2 !
 CONSTITUENT CLINO_PYROXENE:I  : CA+2% FE+2 MG+2% : FE+2 MG+2 : SI+4 : O-2 : !
$ PHASE CLINO_PYROXENE:I Z 4 1 1 2 6 > This is also clino-enstatite, diopside!
$ CONST CLINO_PYROXENE:I :MG+2,CA+2,FE+2:MG+2,FE+2,FE+3,AL+3:AL+3,SI+4:O-2:!
 PHASE CORUNDUM:I              ZM      3 2   1   3 
 > This is alpha alumina, hematite (Fe2O3) and ??Cr !
 CONSTITUENT CORUNDUM:I  : AL+3% CR+2 CR+3% FE+3% : VA% NI+2 CR+3 : O-2% : !
$PHASE CR_CORUNDUM IM 3 2 1 3!  ??
$CONST CR_CORUNDUM :CR+2 CR+3:VA NI+2 CR+3:O-2:!  ??
 PHASE CRISTOBALITE            Z       1  1 !
 CONSTITUENT CRISTOBALITE      : SIO2 : !
$  PHASE DIAMOND_FCC_A4          Z       1  1 !
$  CONSTITUENT DIAMOND_FCC_A4    : SI% O : !
$ PHASE EPSILON                 Z       2  .56   .44
$ > This is Al14Mg11 !
$ CONSTITUENT EPSILON           : AL : MG : !
 PHASE FCC_A1                  ZM  2   1 1 !
 CONST FCC_A1                  :AL% AS CA% CR CU FE% MG NI% O S SI:C N VA% :!
$ PHASE GAMMA_A12               Z       3  .4483   .1379   .4138 !
$ CONSTITUENT GAMMA_A12         : MG : AL% MG% : AL% MG : !
 PHASE HALITE:I                Z       2  1   1 
 > This is periclase (MgO), lime (CaO) and wüstite (FeO) !
 CONSTITUENT HALITE:I          : AL+3 CA+2% FE+2% FE+3 MG+2% VA : O-2 : !
 PHASE HATRURITE:I             Z       3  3   1   5 
 > This is 3CaO.SiO2 !
 CONSTITUENT HATRURITE:I       : CA+2 : SI+4 : O-2 : !
 PHASE HCP_A3                  Z       2  1   .5 !
 CONSTITUENT HCP_A3            : AL AS CA CU FE MG% SI : VA : !
 PHASE LARNITE:I               Z       3  2   1   4 
 > This is 2CaO.SiO2 (metastable at 1 atm) !
 CONSTITUENT LARNITE:I         : CA+2 : SI+4 : O-2 : !
 PHASE LOWCLINO_PYROXENE:I        Z       4  1   1   2   6
 > This is also clino-enstatite (MgO.SiO2) !
 CONSTITUENT LOWCLINO_PYROXENE:I  : CA+2% MG+2% : MG+2 : SI+4 : O-2 : !
 PHASE MELILITE:I              Z       5  2   1   1   1   7 
 > This is 2CaO.Al2O3.SiO2, akermanite (2CaO.MgO.2SiO2) and gehlenite !
 CONSTITUENT MELILITE:I        : CA+2 : AL+3 FE+2 FE+3 MG+2 : AL+3 SI+4 :
 SI+4 : O-2 : !
 PHASE MERWINITE:I             Z       4  3   1   2   8 
 > This is 3CaO.MgO.2SiO2 !
 CONSTITUENT MERWINITE:I       : CA+2 : MG+2 : SI+4 : O-2 : !
$ PHASE MG2CA                   Z       2  2   1 !
$ CONSTITUENT MG2CA             : MG : CA : !
$ PHASE MG2SI                   Z       2  2   1 !
$ CONSTITUENT MG2SI             : MG : SI : !
 PHASE MULLITE:I               Z       4  1   1   1   5 !
 CONSTITUENT MULLITE:I         : AL+3 : AL+3 : AL+3 SI+4 : O-2% VA : !
 PHASE OLIVINE:I               Z       4  1   1   1   4 
 > 2CaO.SiO2, forsterite (2MgO.SiO2),'
> monticellite (CaO.MgO.SiO2) and fayalite (2FeO.SiO2) !
 CONSTITUENT OLIVINE:I     : CA+2 FE+2 MG+2 : CA+2 FE+2 MG+2 : SI+4 : O-2 :!
 PHASE ORTHO_PYROXENE:I        Z       4  1   1   2   6
 > This is also enstatite (MgO.SiO2) !
 CONSTITUENT ORTHO_PYROXENE:I  : CA+2,MG+2 : MG+2 : SI+4 : O-2 : !
$ PHASE ORTHO_PYROXENE:I Z 4 1 1 2 6 also enstatite, ortho-ferrosilicate!
$ CONST ORTHO_PYROXENE:I :CA+2, MG+2,FE+2:MG+2,FE+2,AL+3:SI+4:O-2:!
 PHASE PROTO_PYROXENE:I       Z       3  1   1   3 !
 CONSTITUENT PROTO_PYROXENE:I : CA+2,MG+2 : SI+4 : O-2 : !
 PHASE PSEUDO_WOLLASTONITE:I   Z       3  1   1   3 
 > This is CaO.SiO2 !
 CONSTITUENT PSEUDO_WOLLASTONITE:I : CA+2 : SI+4 : O-2 : !
 PHASE QUARTZ                  Z       1  1 !
 CONSTITUENT QUARTZ            : SIO2 : !
 PHASE RANKINITE:I             Z       3  3   2   7 
 > This is 3CaO.2SiO2 !
 CONSTITUENT RANKINITE:I       : CA+2 : SI+4 : O-2 : !
 PHASE SILLIMANITE:I           Z       4  1  1  1  5
 > A high-pressure phase (Al2O3.SiO2) !
 CONST SILLIMANITE:I           : AL+3 : AL+3 : SI+4 : O-2 : !
 PHASE SPINEL:I                MZ      4  1   2   2   4 
 > This is also magnetite (Fe3O4)!
 CONSTITUENT SPINEL:I          : AL+3% CR+3 FE+2% FE+3 MG+2%  NI+2:
 AL+3% CA+2 CR+3 FE+2 FE+3 MG+2% NI+2 VA : FE+2 MG+2 VA% : N-3 O-2% :!
 PHASE TRIDYMITE               Z       1  1 !
 CONSTITUENT TRIDYMITE         : SIO2 : !
 PHASE WOLLASTONITE:I          Z       3  1   1   3 
 > This is CaO.SiO2 !
 CONSTITUENT WOLLASTONITE:I    : CA+2 FE+2 MG+2 : SI+4 : O-2 : !
$ PHASE ZETA                    Z       2  .525   .475 !
$ CONSTITUENT ZETA              : AL : MG : !
 PHASE C2F:I                   Z  3 2   2   5 
 > This is 2CaO.FeO3 !
 CONSTITUENT C2F:I  :CA+2 : AL+3 FE+3 : O-2 :  !
 PHASE C4WF4:I                 Z  4 4 1  8   17 
 > This is 4CaO.FeO.4Fe2O3 !
 CONSTITUENT C4WF4:I  :CA+2 : FE+2 : AL+3 FE+3 : O-2 :  !
 PHASE C4WF8:I                 Z  4 4 1  16   29 
 > This is 4CaO.FeO.8Fe2O3 !
 CONSTITUENT C4WF8:I    :CA+2 : FE+2 : AL+3 FE+3 : O-2 : !
 PHASE CF:I                    Z  3 1   2   4 
 > This is CaO.Fe2O3 !
 CONSTITUENT CF:I     :CA+2 : AL+3 FE+3 : O-2 :  !
 PHASE CF2:I                   Z  3 1   4   7 
 > This is CaO.2Fe2O3 !
 CONSTITUENT CF2:I    :CA+2 : AL+3 FE+3 : O-2 :  !
 PHASE CW3F:I                  Z  4 1 3 2   7 
 > This is CaO.3FeO.Fe2O3 !
 CONSTITUENT CW3F:I              :CA+2 : FE+2 : AL+3 FE+3 : O-2 :  !
 PHASE CWF:I                   Z  4 1 1  2   5 
 > This is CaO.FeO.Fe2O3 !
 CONSTITUENT CWF:I             :CA+2 : FE+2 : AL+3 FE+3 : O-2 :  !
 PHASE DIAMOND_FCC_A4          Z  1 1 !
 CONSTITUENT DIAMOND_FCC_A4    : C SI O : !
 PHASE GRAPHITE                Z  1  1  !
 CONSTITUENT GRAPHITE          : C : !
 PHASE SIC                     Z  2 1   1 !
 CONSTITUENT SIC               : SI : C :!
 PHASE RHOMBOHEDRAL_A7         Z  1  1.0  !
 CONSTITUENT RHOMBOHEDRAL_A7   :AS BI :  !
 PHASE MONOCLINIC              Z  1  1.0  !
 CONSTITUENT MONOCLINIC        :S :  !
 PHASE ORTHOROMBIC_FC          Z  1  1.0  !
 CONSTITUENT ORTHOROMBIC_FC    :S :  !
$
 PHASE BUNSENITE_NIO           ZM  2 1.0 1.0 !
 CONST BUNSENITE_NIO           : NI+2 NI+3 CR+3 VA : O-2 : !
 PHASE CR3O4                   Z   2 3 4 !
 CONST CR3O4                   : CR : O : !
$ SULPHIDES
 PHASE PYRITE                  Z 2 1 2 !
 CONSTITUENT PYRITE            : FE : S : !
 PHASE PYRRHOTITE              Z 2 1 1 !
 CONSTITUENT PYRRHOTITE        : FE VA : S : !
$ Fe-Si
$
$ PHASE FESI                    Z  2 .5 .5 !
$ CONSTITUENT FESI              : FE : SI : !
$ PHASE FE2SI                   Z  2 .666667 .333333 !
$ CONSTITUENT FE2SI             : FE : SI : !
$ PHASE FE5SI3                  Z 2 .625 .375 !
$ CONSTITUENT FE5SI3            : FE : SI : !
$ PHASE FESI2_H                 Z 2 .3 .7 !
$ CONSTITUENT FESI2_H           : FE : SI : !
$ PHASE FESI2_L                 Z 2 .333333  .666667 !
$ CONSTITUENT FESI2_L           : FE : SI : !
$
$ Al-Fe
$ PHASE AL13FE4                 Z   3 .6275 .235 .1375 !
$ CONSTITUENT AL13FE4           : AL : FE : AL,VA : !
$ PHASE AL2FE                   ZR   2 .663  .337 !
$ CONSTITUENT AL2FE             : AL : FE : !
$ PHASE AL5FE2                  Z   2 .714  .286 !
$ CONSTITUENT AL5FE2            : AL : FE : !
$ PHASE AL5FE4                  Z 1 1 !
$ CONSTITUENT AL5FE4            : AL,FE : !
$
$ Cu-As
 PHASE CU12AS5                 Z  2 12   5 !
 CONSTITUENT CU12AS5           : CU : AS :  !
 PHASE CU3AS                   Z  2 3   1 !
 CONSTITUENT CU3AS             : CU,VA : AS :  !
 PHASE CU8AS                   Z  2 8   1 !
 CONSTITUENT CU8AS             : CU : AS :  !
$ As-Fe
$
 PHASE FE2AS                   ZP  2 2   1 !
 CONSTITUENT FE2AS             : FE : AS :  !
 PHASE FE3AS2                  Z  2 1   .75 !
 CONSTITUENT FE3AS2            : FE : AS,VA :  !
 PHASE FEAS                    Z  2 1   1 !
 CONSTITUENT FEAS              : FE : AS :  !
 PHASE FEAS2                   Z  2 1   2 !
 CONSTITUENT FEAS2             : FE : AS :  !
$
$ Cu-S
 PHASE ALPHA_CHALCOCITE        Z  2 2   1 !
 CONSTITUENT ALPHA_CHALCOCITE  :CU : S :  !
 PHASE ANILITE                 Z  2 1.75   1 !
 CONSTITUENT ANILITE           :CU : S :  !
 PHASE BETA_CHALCOCITE         Z  2 2   1 !
 CONSTITUENT BETA_CHALCOCITE   :CU : S :  !
 PHASE COVELLITE               Z  2 1   1 !
 CONSTITUENT COVELLITE         :CU : S :  !
 PHASE DIGINITE                Z  3 2   1   1 !
 CONSTITUENT DIGINITE          :CU,VA : CU,VA : S :  !
 PHASE DJURLEITE               Z  2 1.93   1 !
 CONSTITUENT DJURLEITE         :CU : S :  !
$
$ Si-Al-O-N
 PHASE BETA_SIALON  Z  3 3   3   1 !
 CONSTITUENT BETA_SIALON  : AL+3 SI+4% : N-3% O-2 : N-3 :  !
 PHASE OPRIM  %  3 2   2   1 !
 CONSTITUENT OPRIM  : AL+3 SI+4% : N-3% O-2 : O-2 :  !
 PHASE H12  Z  3 6   4   3 !
 CONSTITUENT H12  : AL+3 : N-3 : O-2 :  !
 PHASE R21  %  3 7   5   3 !
 CONSTITUENT R21  : AL+3 : N-3 : O-2 :  !
 PHASE R27  %  3 9   7   3 !
 CONSTITUENT R27  : AL+3 : N-3 : O-2 :  !
 PHASE X1  %  4 12   18   39   8 !
 CONSTITUENT X1  : SI+4 : AL+3 : O-2 : N-3 :  !
$
$ Cu-O
 PHASE CU2O                    Z 1 1 !
 CONSTITUENT CU2O              : CU2O : !
 PHASE CUO                     Z 1 1 !
 CONSTITUENT CUO               : CUO : !
$
$ Bi-O
 PHASE BI2O3_ALPHA Z 1 1 !
 CONST BI2O3_ALPHA : BI2O3 : !
 PHASE BI2O3_DELTA Z 1 1 !
 CONST BI2O3_DELTA : BI2O3 : !
$
$ Bi-Cu-O
$
 PHASE BI2CUO4:I Z 3 2 1 4 !
 CONST BI2CUO4:I : BI+3 : CU+2 : O-2 : !
$
 DEFAULT-COM DEFINE_SYSTEM_ELEMENT VA /- !
 DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
 DEFAULT_COM REJECT_PHASE BUNSENI_NIO !
$ DEFAULT_COM REJECT_PHASE AL5FE4 !
 DEFAULT_COM REJECT_PHASE FE3AS2 !
$
$ TYPE-DEFINITION % RND1 FUNSORT.DAT !
 TYPE-DEFINITION % RND1 TCPATH\DATA\ion\ion_fun.tdb !
 TYPE-DEFINITION Z SEQ TCPATH\DATA\ion\ion_par.tdb !
$ TYPE-DEFINITION Z SEQ para.TDB !
 TYPE_DEF B GES AMEND_PHASE_DESCRIPTION BCC_A2 MAGN -1 .4,,!
 TYPE_DEF M GES AMEND_PHASE_DESCRIPTION @ MAGN -3 0.28,!
 TYPE_DEF C IF(VA) THEN GES AMEND_PHASE_DESCRIPTION IONIC_LIQ COMP_SET ,,
 CR+3 FE+2 MG+2 NI+2: O-2 : !
 TYPE_DEF D IF(SIO2) THEN GES AMEND_PHASE_DESCRIPTION IONIC_LIQ COMP_SET ,,
 CR+3 FE+2 MG+2 NI+2: SIO2 : !
 TYPE_DEF R IF(AL AND FE) THEN TDB RESTORE_PHASE AL5FE4 !
 TYPE_DEF P IF(AS AND FE) THEN TDB RESTORE_PHASE FE3AS2 !
$
$ TYPE-DEFINITION C IF(VA) THEN GES AMEND_PHASE_DESCRIPTION IONIC_LIQ
$ COMP_SET ,, AL+3 CA+2 MG+2 SI+4: VA : !
$
 DATABASE-INFO Included systems:'
Binary Me-O systems:'
   Al-O, Bi-O, Ca-O, Cu-O, Fe-O, Mg-O, Si-O'
Higher order oxide containing systems (where all lower order evaluated):'
   Al2O3-CaO-MgO, Al2O3-CaO-SiO2, CaO-MgO-SiO2, CaO-Fe-O-SiO2, Si-Al-O-N'
   Bi-Cu-O, Cr-Ni-O (provisional)'
Binary Me-S systems:'
   Fe-S, Cu-S'
Binary Me-As systems:'
   Cu-As, Fe-As'
For the liquid phase (ionic_liq) the edge metal systems have been included.'
The solid phases can be obtained appending the SGTE solution database' !
$
$ Additional systems: C-Fe-N-Si'! vad menar jag med det?
$
