What's New in the Databases

What follows are summaries of the changes in the databases that have appeared in :


  • ELEM - the FACT Elements Database

      ELEM is the database of elements using data from FactPS (see next).

      When using the FactPS or SGPS compound database there is no need to select the ELEM database ('Data Search') in your calculations.

      The only time you may need to select ELEM is if the elements are missing from your selected compound databases.

    • FactSage 7.1 (2017)

      The data for Pu have been updated


  • FactPS (formally Fact53) - the FACT Pure Substances Compound Database

      FactPS is the compound database for use with the FACT databases (FToxid, FTsalt, etc.).

    • FactSage 6.1 (2009)

      Some minor updates and corrections

    • FactSage 6.2 (2010)

      The following compounds have been updated : MnTiO3, MnTi2O5, Ni2SiO4, SnO2, U10C19, Pu.

      The following compound has been deleted : ZrC4.

    • FactSage 6.3 (2012)

    • The following compounds have been removed from the FactPS database in FactSage 6.3:

      Al29Mg21 Al8Mg5 AlS (s,l) Na2S3 Nb4C3 V5B6

    • Data for the following compounds in FactPS have been updated in FactSage 6.3 based upon more recently available data:

      Al2 Al2Ca Al2O2 Al2O3 (Al2O3)(SiO2)2(H2O)2 Al2Sr
      Al3Ni Al4Ca Al4Ce Al4Sr Al7Sr8 AlC
      AlO2 AuPb2 AuSn AuSn2 B2Cr B2Mn
      B2Ti B2V B2V3 B3V2 B4V3 BCr
      BFe BTi BV C3H4 C3H6 C4H8
      C5H8 C6H12 C7H14 C8H10 Ca(NO3)2 Ca(NO3)2(H2O)2
      Ca(NO3)2(H2O)3 Ca(NO3)2(H2O)4 Ca2 Ca2Si Ca3(AsO4)2 CaCO3
      CaSi CaSi2 CCl3Br CF2CFCl CF2CHCl CH2CF2
      CNb Co3Nb Co3W CoSi Cr23C6 Cr3C2
      Cr5Si3 Cr7C3 CrF2 CrF3 CTi Cu2Mg
      DOCl Fe10S11 Fe11S12 Fe2B Fe2P Fe3C
      Fe3P Fe3Si7 Fe7S8 FeO4P FeP FeSi
      FeSi2 FeTi GdCl3 K2CrO4 KAl(SO4)2 KH2PO4
      KNO3 Mg17Sr2 Mg2 Mg2Ca Mg2Si Mg2Sr
      Mg23Sr6 Mg38Sr9 MgB2 MgB4 Mn3Si Mn5Si3
      MnSi Mo2B Mo3Si Mo5Si3 MoB MoB2
      MoB4 MoC MoF5 N4Si3 NaAlSi2O6 Nb2C
      (NH4)2SO4 (NH4)H2PO4 NH4Cl NH4NO3 Ni2Si Ni3Ti
      Ni4B3 Ni4W NiF2 NiTi2 O2F P2S5
      PuF3 PuF4 Rb2O Si2 Si2C Si2V
      Si3 Si3Ta5 Si3V5 SiC SiC2 SiO
      SiO2 SiTa2 ThF4 UF3 UF4 UF5
      WC

       

    • The following new compounds have been added to the FactPS database in FactSage 6.3:

      AgClO3 Al2C2 AlAsO4 AlC2 As4S4 AsO
      Au3AsO4 Ba2Sn Ba3(AsO4)2 Be3(AsO4)2 BiBr Br2O
      BrO2 BrO3 C12H4Cl4O2 C2Cl C2Cl3 C2Cl5
      C2F C2F2Cl2 C2F3 C2F5 C2FCl C2FCl3
      C2H2FCl C2H3F C2HFCl2 Ca2Sn CaAl2B2O7 CaCN2
      CaHPO4 CaSn (CaSO3)2(H2O) CBr2 CBr2I2 CBr3
      CBr3I CBrI3 CCl2Br2 CCl2BrI CCl2I2 CCl3I
      CClBr2I CClBr3 CClBrI2 CClI3 CF2Br2 CF2BrI
      CF2Cl CF2ClBr CF2ClI CF2I2 CFBr2I CFBr3
      CFBrI2 CFCl CFCl2 CFCl2Br CFCl2I CFClBr2
      CFClBrI CFClI2 CFI3 CH2Br2 CH2BrI CH2Cl
      CH2ClBr CH2ClI CH2F CH2FBr CH2FI CH3O
      CHBr2I CHBrI2 CHCl2 CHCl2Br CHCl2I CHClBr2
      CHClBrI CHClI2 CHF2 CHF2Br CHF2I CHFBr2
      CHFBrI CHFCl CHFClBr CHFClI CHFI2 Cl2O2
      ClO3 COOH Cr3(AsO4)2 CrAsO4 CrBr3 CrBr4
      CrNaO2 Cs3AsO4 Cu3AsO4 Cu3Br3 Cu3I3 CuMoO4
      DyBr3 DyF3 DyI3 ErBr3 ErF3 ErI3
      EuBr2 EuBr3 EuF3 F2O2 Fe(VO3)2 Fe3(AsO4)2
      FeAsO4 FeNaO2 FeV2O4 Ga2Cl6 GaAsO4 GaCl2
      GaF GaF2 GdBr3 GdF3 GeCl2 GeCl3
      GeF GeF3 HCCN HClCO HfBr4 HfI4
      Hg3(AsO4)2 HoBr3 I2O In2Cl6 In2O InAsO4
      InF InF2 InF3 IO2 IO3 K3Al2Cl9
      K3AlCl6 K3AsO4 K4Ca(NO3)6 KAl(SO4)2(H2O)3 KCa(NO3)3(H2O)3 KCa5(NO3)11(H2O)10
      LaAsO4 Li2NiF4 Li3AsO4 Li3CrF6 Li3PuF7 Li3ThF7
      Li3UF7 Li4PuF8 Li4UF8 Li7Pu6F31 Li7Th6F31 Li7U6F31
      LiAlSi2O6 LiAlSiO4 LiFeO2 LiPu2F9 LiPu4F17 LiTh2F9
      LiTh4F17 LiU2F9 LiU4F17 Mg(NO3)2 Mg3(AsO4)2 Mn2P
      Mn3(AsO4)2 Mo4O11 Mo8O23 Mo9O26 MoAsO4 Na3AlCl6
      Na3AsO4 Na3VO4 NaVO3 NdBr3 (NH4)4SO4(NO3)2 (NH4)5SO4(NO3)3
      (NH4Cl)3NaNO3 Ni20Se21 Pb2I4 Pb3(AsO4)2 PrBr3 PrF3
      Rb2SO4 Rb3AsO4 (RbCl)2 (RbF)2 RbO2 ReAsO4
      RhCl2 Sb2S4 Sb3S2 Sb4S3 SbCl SbF
      SbO ScAsO4 Sn3(AsO4)2 SnCl SnF SnF2
      (SnI2)2 SnI4 TaCl TaCl2 TbBr3 TmBr3
      TmF3 TmI3 UBr5 UO2(NO3)2 UO2SO4 W10O29
      W18O49 Zn3(PO4)2

       

    • FactSage 6.4 (2013)

      The FactPS database has been updated. The total number of compounds remains 4776 but the total number of phases has been increased from 6692 to 6777. Data for the following 293 compounds have been updated :

      Ag2CrO4Ag2O(Ag2O)(WO3)Ag2SAg2Se
      Ag2SO4Ag3AsO4AgBrAgBrO3AgCl
      AgCNAgFAgIAgNO3AgP2
      AgP3Al(OH)3Al2O3(H2O)Al2O3(H2O)3Al2S3
      Al2Se2Al2Te3AlCl3(H2O)6AlH3As2O5
      As2S3AsBr3AsF3AsH3AsI3
      AsSAu(OH)3Au2O3Au2P3AuBr
      AuCdAuClAuCl3AuF3AuI
      AuSeBa(NO3)2Ba3N2BaC2BaCO3
      BaCrO4BaHBaH2BaMoO4(BaO)(HfO2)
      (BaO)(SiO2)(BaO)(SiO2)2(BaO)(TiO2)(BaO)(WO3)(BaO)(ZrO2)
      (BaO)2(SiO2)(BaO)2(SiO2)3(BaO)2(TiO2)BaO2BaSO4
      BaTeBiAsO4BiBr3BiCl3BiF3
      BiIBiI3BPC10H22C2F3H
      C2H2Cl2C2H4OC2H5C2H5ClC3H4
      C3H6OC3H8C4H10C4H6C4H8
      C5H10C5H12C5H8C6H10C6H12
      C6H14C6H6C6H6OC7H14C7H16
      C7H8C8H10C8H14C8H16C8H18
      C9H16C9H20Ca(NO3)2Ca2P2O7Ca3(PO4)2
      CaC2CaHCaH2CaHPO4(H2O)2(CaO)(HfO2)
      (CaO)(UO3)(CaO)(V2O5)(CaO)(WO3)(CaO)10(SiO2)12(H2O)11(CaO)12(SiO2)6(H2O)7
      (CaO)3(Al2O3)(H2O)6(CaO)3(SiO2)2(H2O)3(CaO)3(WO3)(CaO)4(SiO2)6(H2O)5(CaO)5(SiO2)6(H2O)3
      (CaO)6(SiO2)6(H2O)(CaO)8(SiO2)6(H2O)3CaO2CaSeCaSO3
      CaSO4(H2O)2(CaSO4)2(H2O)CaTeCCl4Cd3(AsO4)2
      Cd3As2CdBr2CdCl2CdF2CdI2
      CdOCdSCdSbCdSO4Ce2(SO4)3
      CeC2CeCl3CeCrO3CeH2CeI3
      CeNCH2CHClCH2COCH3BrCH3COOH
      CH3ICH3OHCHBr3CHClCCl2CHI3
      Co(OH)2Co2PCo3(AsO4)2CoBr2CoCO3
      (CoO)(Cr2O3)(CoO)(Fe2O3)(CoO)(TiO2)(CoO)(WO3)(CoO)2(TiO2)
      CoPCoP3Cr(CO)6Cr2(SO4)3CrBr2
      CrF4CrI2Cs2OCs2O3CsO2
      Cu2SbCu2SeCu2SO4Cu2TeCu3(AsO4)2
      Cu3PCuBrCuBr2CuFeO2CuI
      (CuO)(Fe2O3)(CuO)(SeO2)CuP2CuSO4(H2O)CuSO4(H2O)5
      CuTeErCl3ErCl3(H2O)6EuCl3(H2O)6EuS
      (FeO)(MoO3)(FeO)(WO3)FeOClGa2O3Ga2S3
      Ga2Se3Ga2Te3GaClGaF3GaO
      GaSbGaTeGdI3GdOClGeCl
      GeCl4GeF4GeI4GeOGeP
      GeSGeTeH2SeHCOOHHfC
      HfCl2HfCl3HfCl4HfF4HfN
      HfO2HgSeHgSO4HoCl3HoCl3(H2O)6
      HoF3InClInCl2InCl3InI3
      IrO2K3BiLaBr3LaI3Mg2Ge
      (MgO)(Fe2O3)MnAsMnBi(MnO)(Fe2O3)(Na2O)2(V2O5)
      NdCl3NdI3Ni2GeNiO(NiO)(Fe2O3)
      NpF6P4S6PbSO4PrCl3PrI3
      PuORb2CO3Re2O7Sb2O3Sb2S3
      SbF3Sc2O3ScF3SiO2SmC2
      (SrO)(HfO2)(SrO)2(TiO2)SrSO4TaBr5TaCl3
      TaFe2TbCl3Tc2O7ThAl3ThBr4
      ThI4TiAlTiAl3TiO2Tl2O
      TlClTlFTlSeTmCl3U4O9
      UAl2UAl3UBr4UFe2UI4
      UO2VCl2VI2YbCl3ZnF2
      ZnI2ZnS

    • FactSage 7.0 (2015)

      Errors in the data for GeCl4, CH4O, SbO, AsO, Pu and several sulfides of Sb have been corrected.

      The following 95 compounds have been added to FactPS :

      AlP3O9Ba2Ca4Si3O12Ba2Ca6Si4O16Ba2P2O7Ba3P2O8
      Ba3Si5O13Ba3SiO5Ba4P2O9Ba5Si8O21BaP2O6
      BaP4O11Ca10Si3F2O15Ca12Al14F2O32Ca2P6O17Ca3Mg3(PO4)4
      Ca4Al6F2O12Ca4Mg2P6O21Ca4P2O9Ca4P6O19Ca5P2SiO12
      Ca5Si2F2O8Ca7P2Si2O16(CaO)2(Al2O3)(B2O3)CaP4O11Fe10P6O26
      Fe18P2O24Fe2P2O7Fe2P6O18Fe3P2O8Fe4P2O10
      Fe4P6O21Fe6P2O14Fe7P6O24FeP2O6K2AlF5
      K2SiF6K3SiF7K4SiO4KAl4F13KAlF4
      Li2SiF6Li3NaSiO4Li3PO4Li4P2O7Li5P3O10
      Li8ZrO6LiPO3Mg2P2O7Mg3SiF2O4Mg5Si2F2O8
      Mg9Si4F2O16MgP2O6MgP4O11Mn2P2O7Mn3P2O8
      MnP2O6Na10SiO7Na12Mg4P10O35Na18Si6P4O31Na2Ca2P2O8
      Na2Ca2Si2O7Na2Ca3Al16O28Na2Ca8Al6O18Na2CaP2O7Na2CaSiO4
      Na2FeO2Na2FeSiO4Na2MgP2O7Na2MgP4O12Na2S3
      Na2SiF6Na3Fe5O9Na3FeO3Na3MgP3O10Na4CaP6O18
      Na4FeO3Na4MgP6O18Na4P2O7Na5FeO4Na5FeSi4O12
      Na5P3O10Na5Si2PO9Na8Ca3Si5O17Na8Fe2O7Na8Fe6Si15O40
      NaCaP3O9NaFe2O3NaFeSi2O6NaMgP3O9NaMgPO4
      NaPO3P2O5P2SiO7P4Si3O16SiAl2F2O4

      As well, data for the following 504 compounds have been updated either with data from the most recent Barin, Knacke, Kubaschewski compilation, from optimizations in oxide systems, or by providing more reasonable extrapolations into metastable regions or to very high temperatures :

      Ag2CO3(Ag2O)(WO3)Ag2TeAl2(SO4)3Al2Se3
      AlPO4As2S2As2Te3AsF5AsTe
      AuSnAuTe2(BaO)(Al2O3)(BaO)(UO3)(BaO)3(Al2O3)
      Bi2(SO4)3BiClBiFC2H6Ca2P2O7
      Ca3Sb2CaAl2B2O7(CaO)(MoO3)(CaO)(SiO2)2(H2O)2(CaO)2(V2O5)
      CaOCl2CdCO3(CdO)(Al2O3)(CdO)(Ga2O3)(CdO)(SiO2)
      (CdO)(TiO2)CdSeCe2C3Ce2S3Ce3S4
      CH3OHCo2Al5Co2BCo3NCoB
      CoI2CoSb2CoSb3CoSeO3CoSn
      CrCl2CrI3Cs2CO3Cu5FeS4CuSO4
      CuTeDyCl3Fe2O3(H2O)Fe3Mo2Fe4N
      FeTe2Ga2OGaAsGaBr3GaCl3
      GaI3GaNGaSGaSeGeCl4
      GeH4GeS2GeSeGeSe2H2SO4
      H2SO4(H2O)H2SO4(H2O)2H2SO4(H2O)3H2SO4(H2O)4(H2SO4)2(H2O)13
      H2TeHfB2Hg2SO4HgSeO3HOOH
      In2(SO4)3In2O3In2S3In2Se3In2Te
      In2Te3In5S6InAsInBrInBr3
      InIInNInPInSInSb
      InSeInTeIr2S3IrBr3IrCl3
      IrF6IrIIrI2IrO3IrS2
      K2HPO4KAl(SO4)2(H2O)12La2S3La2Se3La2Te3
      LaH2LaMgLaNLaOClLaS
      LaSe(Li2O)(ZrO2)(Li2O)2(SiO2)Li2SeMg(OH)Cl
      Mg2Pb(MgO)(MoO3)(MgO)(V2O5)(MgO)2(V2O5)MgSe
      MgSeO3MgTeMn2SbMn3CMn4N
      Mn5N2Mn7C3MnBMnBr2MnCO3
      MnF2MnI2(MnO)(MoO3)(MnO)(WO3)MnP
      MnP3MnSMnS2MnSeMnSn2
      MnSO4MnTeMnTe2Mo(CO)6Mo2C
      Mo2NMoO2Cl2MoS3N2O5Na2Ca3Si6O16
      Na2CaSi5O12Na2CrO4Na2Mg2Si6O15(Na2O)(MoO3)Na2Te
      Na2Ti2O5Na4CaSi3O9NaAlSi2O6H2ONaHCO3NaTe
      NaTe3Nb2NNb5Si3NbB2NbCl2
      NbCl3NbCl4NbCr2NbNNbO2Cl
      NbOCl2NbOCl3NbSi2Nd2(SO4)3(Nd2O3)(ZrO2)2
      Nd2S3Nd2Se3Nd2Te3NdH2NdOCl
      Ni2Al3Ni2PNi3AlNi3CNi3P
      Ni3SnNi3Sn2Ni5P2NiAlNiAs
      NiBNiBiNiBr2NiCO3NiI2
      (NiO)(Al2O3)(NiO)(TiO2)(NiO)(WO3)NiSbNiSe2
      NiSeO3NiSO4NpCl3NpCl4NpF3
      NpO2NpO3(H2O)NpOCl2OPCl3OsO2
      OsO4OsP2OsS2OsSe2P4S5
      PbCO3PbI2(PbO)(MoO3)(PbO)(PbCO3)(PbO)(TiO2)
      (PbO)(WO3)(PbO)2(PbSO4)(PbO)3(PbSO4)(PbO)4(PbSO4)PbOPbSO4
      PBr3PbSePbSeO3PbSeO4PbTe
      Pd4SPdCl2PdF2PdOPdS
      PdS2PdTePI3Pr3S4Pr6O11
      Pr7O12PrH2PrO2Pt5Se4PtBr2
      PtBr3PtBr4PtCl2PtCl3PtCl4
      PtI4PtO2PtSPtS2Pu(SO4)2
      Pu2C3Pu2S3Pu8C7PuBr3PuC2
      PuCl3PuF4PuF6PuH2PuH3
      PuI3PuNPuO2PuOBrPuOCl
      PuOFPuOIPuS(Rb2O)(SiO2)(Rb2O)(SiO2)2
      (Rb2O)(SiO2)4Re2S7Re2Te5Re3As7Re5Si3
      ReBr3ReCl3ReO2ReO3ReS2
      ReSiReSi2Rh2O3RhCl3RhO2
      RuCl3RuCl4RuF5RuO2RuO3
      RuO4RuS2RuSe2Sb2(SO4)3Sb2O5
      Sb2Se3Sb2Te3SbBr3SbCl3SbCl5
      SbH3SbI3SbOSbOClSbS
      SbSeScBr3ScCl3ScNSeF4
      SeF5SeF6SeOSeO2Si2H6
      SiSe(Sm2O3)(ZrO2)2SmCl3SmOFSn2S3
      Sn3S4SnBr2SnBr4SnCl2SnCl4
      SnH4SnI2SnOSnSeSnSe2
      SnTeSOCl2Sr3(AsO4)2Sr3N2SrC2
      SrCO3SrH2(SrO)(MoO3)(SrO)(SiO2)(SrO)(TiO2)
      (SrO)(WO3)(SrO)(ZrO2)(SrO)2(TiO2)(SrO)4(TiO2)3SrO2
      Ta2CTa2Cl5Ta2NTaB2TaCl4
      TaCl5TaCr2TaF5TaI5TaN
      TaO2ClTaOCl3TaSTaS2Tb6O11
      Tb7O12TbO2TbSTcO2TcO3
      Te2O2TeCl2TeCl4TeF4TeF6
      TeOTeO2Th(SO4)2Th2S3Th3N4
      Th3P4Th3Si2Th3Si5ThCl4ThF4
      ThH2ThMg2ThNThOThO2
      ThOBr2ThOCl2ThOF2ThOI2ThP
      ThRe2ThSThS2ThSiThSi2
      TiCl3TiSTiS2Tl2O3Tl2Se
      Tl2SO4Tl2TeTlBrTlCl3TlI
      U(SO4)2U14C27U2C3U2F9U2S3
      U3Ge5U3O8U3SiU3Si2U3Si5
      U4F17U5Ge3UAl4UB12UB2
      UB4UBr3UCUCd11UCl3
      UCl4UCl5UCl6UF4UF6
      UGeUGe2UGe3UH3UI3
      UNUO2Br2UO2Cl2UO2F2UO3
      UO3(H2O)UOBr2UOBr3UOClUOCl2
      UOCl3URh3URu3USUS2
      USeUSiUSi2USi3V2C
      VBr2VBr3VBr4VCl3VCl4
      VF3VF4VF5VI3VOCl3
      W(CO)6W10O29W2CWO2I2WS2
      WSi2Y2O3(Y2O3)(ZrO2)2YbCl2YF3
      YI3YNYRe2Zn3(AsO4)2Zn3N2
      ZnBr2ZnCl2ZnCO3(ZnO)(WO3)(ZnO)2(TiO2)
      ZnP2ZnSeZnSeO3ZnSO4(H2O)ZnSO4(H2O)2
      ZnSO4(H2O)6ZnSO4(H2O)7ZrSZrS2

    • FactSage 7.1 (2017)

      Due to conflicts within some of the programs, deuterium, D, and tritium, T, have dropped from FactPS. (This was done in FactSage 7,0 but it was not reported at the time.)

      Data for the following compounds have been updated:

      orrected
      C8H10CeDyErEu
      GdHoLaLuNd
      OPCl3PmPrSbOSc
      SmTbTmYYb

    • FactSage 7.2 (2018)

      Data for following 2 compounds have been revised in FactPS :

      PbBr4 and Cu(OH)2

    • FactSage 7.3 (2019)

    • The following new compounds have been added:

        BaClF, BaMgF4, CaBeF4, CaCrO4, Co(NO3)2, CrAl2Cl8, Cr(CrO4), CrSO4, Cs2C2, CuS2, KCrO2, KFeO2, K2C2, K2S2, K2S3, K2S4, K2S5, K2S6, LiBaF3, Li2CrO4, Li16BaSrF20, LuF3, MgCrO4, NH4OH, NaFeF3, NaNiF3, Na2NiCl4, Na2S4, Na2S5, Pb(NO3)2, Rb2C2, SmF3, SrCrO4, SrFCl, SrMgF4, TbF3, TiAl2Cl8, VF2, and YbF3.

    • As well, data for kaolinite (Al2O3)(SiO2)2(H2O)2, boehmite and diaspore AlO(OH), and for the following compounds taken from the US Geological Survey Bulletin of 1995 have been added:

        Be4Si2O7(OH)2, BeAlSiO4(OH), Cu7S4, Cu9S5, CuSbS2, Ca2Al2SiO6(OH)2, Ca4Al6Si6O24CO3, Ca5(SiO4)2CO3, Ca5Si2O7(CO3)2, Ca5(PO4)3F, CaCO3(MgCO3)3, K2Mg2(SO4)3, KAl3(OH)6(SO4)2, FeSb2S4, LiAlSi4O10, (MgCO3)Mg(OH)2(H2O)3, Mn7SiO12, (Na2O)(Al2O3)(SiO2)3(H2O)2, Na2B4O7(H2O)10 and Na2CO3(H2O)

    • Data for the following compounds have been updated:

        AgF, Ag2CO3, Ag2O, Ag2SO4, BaCO3, BaF2, Ba(NO3)2, BeBr2, BeF2, BeSO4, CaCO3, CaCl2, Ca(NO3)2, CaSO4, CeCl3, CoBr2, CoI2, Cr(OH)2, Cr2(CrO4)3, Cr2(SO4)3, CsBr, CsH, CsI, Cs2CO3, Cs2O, CuBr2, CuCl2, CuF, CuF2, CuO, DyF3, EuF3, FeF2, HoF3, KAlCl4, KBr, KCaCl3, KCaF3, KCl, KFeCl4, KI, KLiCO3, KMgCl3, KMgF3, KNO3, K2FeCl4, K2MgF4, K2ZnCl4, K3F(SO4), LiCoCl3, LiRbCl2, Li2C2, Li2CoCl4, Li2FeCl4, Li2O2, Li4CoCl6, Li6FeCl8, Li6NiCl8, MgCO3, MgF2, MgSO4, MnS2, NaF, NaMgF3, Na2CoCl4, Na2S, Na2SO3, Na2SO4, Na3F(SO4), NiBr2, NiF2, NiI2, PbSO4, RbBr, RbCl, RbI, S, SrCO3, Sr(NO3)2, ThF4, TiCl2, TiCl3, TiF2, UF4, VCl3, and ZnI2.

    • Data for the following compounds were found to be in error and have been corrected:

        CeAu, Rb4UO5, (PbO)4(PbSO4), Nd2(C2O4)3(H2O)10, Fe3P, Th, ZrTe2

    • The following compounds have been removed from FactPS either because of duplication or mislabelling or because the data were judged unreliable:

        Fe7Si8O22(OH)2, CuBr3, MgSO4(H2O)6, Li2Fe2O4, Pb2S2, Li2Al2Si2O8

    • FactPS 7.3 now contains 4920 compounds (was 4869) and 7036 phases (was 6912).


  • SGPS - the SGTE Pure Substances Compound Database

    • FactSage 6.2 (2010)

      The following compound has been added : Li2Nb2O6.

      The following compound has been deleted : LiNbO3.

    • FactSage 7.2 (2018)

      The following 125 compounds have been added to SGPS :

      Ag5Te3 AgBrCH5N AgBrH3N AgBrH9N3 AgCClH5N
      AgCNO AgCNS AgC2H3O2 AgClH3N AgClH9N3
      AgFH4O2 AgFH8O4 AgIO3 AgN3 Ag2O3
      Ag2SO3 Ag2SeO3 Ag2SeO4 AlB3H12 AlB3H12
      AlCH2NaO5 AlC3H9 AlCl6Fe AlH12N3O15 Al2C6H18
      Al2H12O18S3 Al2Sr Al4Sr Al7Sr8 AmCl2
      AmCl2 AmCl3 AmCl3 AmO AsO6Sb3
      As2O6Sb2 As3O6Sb As4Se3 As4Se3 AuO4Re
      B5Mo3 BCH3O BC2H7O2 BC2H7O2 BC3H9
      BC3H9 BC3H9O3 BC3H9O3 BC4H14N BC6H15
      BC6H15 BCl3H3P B13Mo6 B4S6 BaBr2H2O7
      BaBr2H4O2 BaBr2O6 BaCl2H2O BaCl2H4O2 BaCl2H6O11
      BaCl2O4 BaF6Si BaH18O10 BaH2I2O7 BaH2N6O
      BaH8O12Re2 BaI2O6 BaO3Se BaO4Se BaO4SrTi
      BaSe BeSe BeTe BiNa3O4 Bi2Te
      C3Nb4 C5Pu6 C7Nb8 C7Pu8 C7V8
      CNp CNb C2Th C2U C17U9
      C2CaH2O5 Ca24Cu29O56 Ca10F2O24P6 CaCl2H12O6 CaCl2H8O8
      CaFeO6Si2 CaH12I2O12 CaH4O5S CaH4O6Se CaH6O9P2
      CaI2O6 CaO6P2 Ca12H14O31Si6 Ce4Ru3 Ce7O12
      Ce6O11 Cl7Nb3 Cl8Nb3 CoSb Cr6S7
      FeO FeSe Fe2Se2 Fe3Si7 FeTe
      Mo9O26 NV2 NiSe Ni7Se8 NiTe
      O8Pu5 O19W7 O3W O26W9 S2U

    • FactSage 7.3 (2019)

      SGPS has been updated by converting the latest SGTE database (SGSUB-2017) to FactSage format.

    • additions include 164 substances taken from FactPS and 34 substances taken from M.D. Allendorf et al., J. Phys. Chem., 1992, 96(1), 428. In addition data for Al(g) and Al2O(g) have been replaced with data from Janaf 98.

    • SGPS 7.3 now contains 3927 compounds (was 3842) and 5877 phases (was 5753).


  • FTdemo - the FACT Demonstration Database

    • FTdemo is the name for the old FACT Slide Show database developed around 2001. Although FTdemo is part of FACT Package of Databases, it is for demonstration calculations only. It should be used only for teaching - for example with the Slide Shows.

    • For calculations where the results are important, you must NOT use the FTdemo database. Use the FactPS compound database and the FToxid, FTsalt, etc. databases. For detailed information on the FactPS, FToxid, FTsalt, etc. databases go to the FactSage Main Menu and click on 'Documentation'.


  • FTfrtz - the FACT fertilizer database

    • FactSage 6.3 (2012)

      FTfrtz was introduced in FactSage 6.3 (2012). It is used for the production of nitrate-based fertilizers, from hydrous to anhydrous conditions. It can also be used for calculating the thermodynamic properties and phase equilibria in the fertilizer products, and for some explosives.

      The FTfrtz compounds and solutions contain data for 26 pure salts and 14 salt solutions based on the family of ammonium nitrate (NH4NO3), ammonium di-hydrogen phosphate (NH4H2PO4), ammonium chloride (NH4Cl) and ammonium sulfate ((NH4)2SO4). fertilizers with additions of their corresponding potassium salts (and in some cases sodium salts). The model covers the addition of roughly up to 50 wt.% water (H2O).

    • FactSage 6.4 (2013)

      - minor modifications to the documentation (MAP vs DAP)

      - automatic exclusion of N2(g) and several other N-containing gaseous species (needed for calculations involving NH4NO3)


  • FThall - the FACT database for Hall aluminum process

    • FactSage 6.3 (2012)

      Al4C5 has been added, and those pure solid metallic compounds (except Al) and solid metallic solutions for which the data are considered to be out-of-date have been removed.

    • FactSage 6.4 (2013)

    • I-Thermodynamic properties:

      * The carbides (C4- anion) and carbonates (CO32- anion) have been added to the thermodynamic model for the NaF-AlF3-CaF2-Al2O3 base system. That is, a thermodynamic model is now available for the Na+, AlV3+, AlIV3+, Al26+, Ca2+ // F-, O2-, C4-, CO32-, Va- system {where AlV3+ is the 5-coordinated Al3+, AlIV3+ is the 4-coordinated Al3+, Al26+ represents the dimerized (F-bridged) Al3+, and Va- is an anionic vacancy for metal dissolution}. The carbides and carbonates were added in order to model the solubility of Al4C3 in presence of dissolved metal (at Al4C3(s) and Al4O4C(s) saturation) and the solubility of CO2(g), respectively, in the NaF-AlF3-CaF2-Al2O3 base electrolyte. At the anode, CO2(g) is evolved and dissolves partially in the bath in the form of carbonates. The following reactions must be taken into account :

      As the activity of Al2O3 is increased in a NaF-AlF3-CaF2 liquid solution, the activity of Na2O will also increase according to reaction (1). In the presence of CO2 in the gas at the anode, the activity of Na2CO3 will be defined by reaction (2) at equilibrium.

      * The following stoichiometric compounds were added to the FThall Compound database : Na2Ca3Al2F14(s), Na4Ca4Al7F33(s), Ca12Al14F2O32(s), Na2Mg2Al3F15(s), Na2CO3(s1, s2, s3, l), CaCO3(s1, s2, l), and Na2Ca(CO3)2(s1, s2).

    • II-Volumetric properties (density):

      * Bath: The density of the NaF-AlF3-CaF2-Al2O3-LiF-MgF2 electrolyte as a function of temperature and composition has been modeled. In the Menu Window of Equilib, select the FTHall-BathA liquid solution and check the box "include molar volumes". In the Results Window, the density value (in gram/cm3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram/cm3) that takes into account the available density data for all phases at equilibrium (liquid + one or more solid phases) is displayed below the integral property table.

      * Liquid metal: Volumetric properties (density) as a function of temperature were entered for the following pure liquids in the "Liqu" liquid metal solution of the FThall database : Al, Ca, Li, Mg and Na. The volumetric properties (density) as a function of temperature and composition were entered for the Al-Mg binary liquid in the "Liqu" liquid metal solution of the FThall database. In the Menu Window of Equilib, select the FThall-Liqu liquid solution and check the box "include molar volumes".

    • III-Viscosity:

      * Bath: The viscosity of the NaF-AlF3-CaF2-Al2O3-LiF-MgF2 electrolyte as a function of temperature and composition has been modeled. In the Menu Window of Equilib, select the FThall-BathA liquid solution and check the box "include molar volumes". (The viscosity model uses both the molar volume calculated from the density model and the quadruplet mole fractions calculated from the thermodynamic model, in addition to the viscosity model parameters.) In the Results Window, the viscosity value (in Pa.s) calculated from the model is displayed at the end of the block corresponding to the liquid phase.

      * Liquid metal: The viscosity of the Al-Mg binary liquid as a function of temperature and composition has been modeled. In the Menu Window of Equilib, select the FThall-Liqu liquid metal solution and check the box "include molar volumes".


  • FTlite - the FACT Light Metal Alloy Database

    • FactSage 6.1 (2009)

      FTlite was introduced in FactSage 6.1 (2009) as a major expansion and update of the previous FSlite database for light metal (mainly Al-based and Mg-based) alloys. The number of fully assessed binary and ternary systems has more than doubled and a great many previous assessments have been re-evaluated and re-optimized based upon the most recent data and improved solution models.

      The Mg-Al-Mn-Zn-Li-Ca-Sr-Ce-Y system has been completely re-optimized with the Modified Quasichemical Model for the liquid phase for short-range ordering (solute-solute interactions). Note that intermetallic ternary solid solutions are not completely evaluated in some subsystems.

      The volumetric properties (density, molar volume) for the Mg-Al-Mn-Zn-(Fe) system (phases in equilibrium with HCP_A3) are modeled: click the 'use molar volume' option in EQUILIB.

      SiC alpha and beta have been changed (drastic change on metastable alpha, added thermal exp. to both). Name of solid phases changed in Ce-Zn and Y-Zn binary systems.

    • FactSage 6.4 (2013)

      The database has been updated. The changes are extensive and include the following:

    • Improved phase selection
    • Complete Al-Mg-RE systems (RE = all rare-earth elements except Pm) with solid solutions
    • All new Al-Cu-Fe phases (Al23CuFe4, Al7Cu(Mn,Fe)2)
    • Revised Al-Mg-Cu phases (S-Phase, ternary Q-Phase, T-phase)
    • Revised Al-Mg-Cu-Si phases (Quaternary Q-phase)
    • Metastable Al-Mg-Si phases pre-B", B", U, B' in Al-6000 series
    • New Al3M L12, D022, D023 solutions (Al-Ti-Zr-V-Cr-(Mg-Cu-Li-Sc))
    • Metastable Al-Li phases (AlLi-L10, Al2Li-MoPt2, Al3Li-L12 -D022 -D023, Al5Li)
    • Corrected solubility of Zr in Al-FCC
    • Added E-Phase as a solution Al18Mg3(Cr,Mn,Mo,Ti,Ta,V,W)2
    • hP38 solid solution (Mg,Al)17{Ce,Sr,Ca,La,Eu}2
    • improved Al12Mg17 gamma solution (Li, Zn, RE)
    • improved Fe-Cr-Ni-C-Co (FCC + BCC + LIQUID + L12, no Cr-carbides...)
    • New Fe-Zr, Al-Bi, Al-Co, Al-Pb, Al-RE, Al-Sb, Al-Sn, B-Mg, B-Zr, Bi-Mg, C-Na, RE1-RE2, Cr-H, Ge-Mg, Ge-Pb, Mg-RE, Mg-Pb, Mg-Sb, Mg-Sn, Mg-Ti, Mg-Zr, Na-Zn, Si-Ti
    • Demixing terms in LIQUID, FCC_A1, BCC_A2, HCP_A3 for Li-Na-K with Fe-Cr-Ni-Mo-Mn-W-V-Ti-C;
    • Restructured Laves-C14, Laves-C15, Laves-C36 (simplified selection)
    • volumetric properties of several phases added
    • Better suited for Al-2000, -3000, -4000, -5000, -6000 and -7000 series + Al-casting alloys + Mg-alloys (AZ, AE, ZK, etc..)

    • FactSage 7.0 (2015)

      The FTlite light metal alloy database represents a significant update and revision of the previous FTlite alloy database. It is designed for thermodynamic and phase equilibrium calculations involving Al alloys and Mg alloys. Calculations involving Ti alloys and Li-Na-K mixtures can also be performed but not to the same extent as for Al- and Mg-alloys.

      Al Alloys
      Ag, Al, As, Au, B, Ba, Be, Bi, C, Ca, Ce, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, K, La, Li, Lu, Mg, Mn, N, Na, Nb, Nd, Ni, O, P, Pb, Pr, S, Sb, Sc, Si, Sm, Sn, Sr, Ta, Tb, Ti, Tm, V, W, Y, Yb, Zn, Zr

      Mg Alloys
      Ag, Al, B, Ba, Be, Bi, C, Ca, Ce, Cr, Cu, Dy, Er, Eu, Fe, Gd, Ge, H, Ho, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, Pb, Pr, Sb, Sc, Si, Sm, Sn, Sr, Tb, Ti, Tm, V, Y, Yb, Zn, Zr

      A total of 622 binary systems (cf. 243 in the previous version of FTlite) have been evaluated, for most of them over the entire range of composition and for all stable phases. For around 120 of these binary systems, only the liquid phase mixing parameters are stored. Several dozen ternary systems have been assessed, and important quaternary systems have also been evaluated. The database contains 200 solution phases and over 1400 pure compounds (with more than 1700 stoichiometric phases counting allotropic forms).

    • FactSage 7.1 (2017)

      All Mg-Zn-RE (RE = rare-earth elements) ternary systems have been evaluated from the Ph.D. thesis of Zhijun Zhu (Polytechnique Montreal).

      Estimations of the density at 298.15K for most intermetallic phases (pure compounds) and of end-members of solutions.

      Corrections of reported bugs for different solutions (NaZn13, CBCC_A12, etc.).

      New documentation file (PDF) for the changes in the solution names between the 6.4, 7.0-7.1 versions.

    • FactSage 7.2 (2018)

      Ca2Sn(s) has been added to the FTlite compound database.

    • FactSage 7.3 (2019)

    • FTlite - the FACT Al-alloy and Mg-alloy Database - formally known as the FACT Light Metal Alloy Database

      FTlite 7.3 is a major update and restructure of the FACT light metal database.

      It is primarilly designed for thermodynamic and phase equilibrium calculations involving Al alloys and Mg alloys. Calculations involving Ti alloys and Li-Na-K-Mg-Ca-Sr-Ba mixtures can also be performed but not to the extent as for Al- and Mg-alloys.

    • Composition Ranges

      The database is intended to allow calculations over all ranges of composition, although the assessed data are often most reliable for light metal rich composition ranges (Al-rich and Mg-rich compositions). The database can be used for Al alloys in the commercial series 1000, 2000, 3000, 4000, 5000, 6000 and 7000, and for a wide range cast alloys.

      The table gives the list of optimized binary subsystems with the red, blue and green elements given above.

    • Temperature Ranges

      The database is generally valid for the temperature range of approximately room temperature to 2200oC. although for some alloys containing high melting point metals the data are reliable to still higher temperatures.

    • Evaluated Systems

      A total of 855 binary systems (was 781 in 7.2) have been evaluated, for most of them over the entire range of composition and for all stable phases.

      A matrix of assessed binary systems is given in the speadsheet shown here for the major and minor alloying elements of Al- and Mg-alloys.

      Several dozens of ternary systems have been assessed, and important quaternary systems have also been evaluated.


    • full size

    • Solutions and Compounds

      FTlite 7.3 contains 256 solution phases (was 200 in 7.2) and 1703 pure compounds (was 1400 in 7.2) with 2104 stoichiometric phases including allotropic forms.

      Extensive and detailed Tables listing the important solutions for calculations involving Al alloys, for solutions in Mg-alloys, and a detailed list of all solutions are given in the ducumentation (78 pages total!)


  • FTmisc - the FACT miscellaneous database

    • FactSage 6.1 (2009)

      Corrections have been made to the liquid Sn, FTmisc-Snlq phase.

      The FTmisc-Felq liquid iron phase has been updated in FactSage 6.1; it is no longer identical to the liquid iron phase in the FSstel database. This phase is better suited for calculations involving iron and steelmaking processes, whereas the liquid iron phase in the FSstel database is better suited for calculations involving solidification of alloys.

      Minor corrections have been made to the database for the Fe-S system

    • FactSage 6.2 (2010)

      Changes in phase names in FTmisc :

      Liq(Matte/Metal) (MAT2): replaced by MAT2A, MAT2B and MAT2C
      Pyrrhotite (PYRR): replaced by PYRRA, PYRRB and PYRRC
      MS2_ solution: name changed to MeS2
      M2S_ solution: name changed to M3S2
      FCrS_ solution: replaced by the stoichiometric compound FeCr2S4
      Fe9S_ solution: replaced by the stoichiometric compound Fe9S10
      HCPS – eliminated
      A major update for the S-Cu-Fe-Ni-Mn-Co-Cr system for calculation of equilibria among liquid and solid sulphide and metal phases. In the earlier versions of FactSage these calculations with Cu and Mn were not possible.

      Addition of the (Mn,Fe,Ca,Mg,Cr)S phase with the rocksalt structure for calculations of inclusions in steels in combination with the FToxid-slag phase.

      The precise conditions for option 'I' phase selection (sulphide systems) are now stored within the FTmisc database - the selection of '+' or 'I' will be done for you.

      Many new calculated phase diagrams have been added to the documentation for FTmisc.

    • FactSage 6.3 (2012)

      All compounds and solutions of the former "Light Metals' subsection of FTmisc have been removed. (These include the solutions FTmisc-LMLQ, FTmisc-FCC, FTmisc-BCC, FTmisc-AlMg and FTmisc-MgSS, and the stoichiometric compounds Al8Mg5, Al29Mg21, Mg2Si, MgC2, Mg2C3, Al4C3 and SiC.) These data are out-of-date and have been superseded by the data in the FTlite (and FSlite) database.


  • FTnucl - the FACT Nuclear Database for the Nuclear Industry

    • FactSage 7.0 (2015)

      FTnucl was introduced in FactSage 7.0 (2015) as a new database developed for the nuclear industry.

      FTnucl contains data for pure substances and solutions containing the following elements:

      Th, U, Np, Pu, Am

      + Zr, Fe, Ru, Ba + Li, Na, K, Rb, Cs
      + C, N, O, I
      + He, Ne, Ar, Kr, Xe, Rn

      The FTnucl database can be used for the development of advanced nuclear fuels based on:

      • - Th, U, Np, Pu and Am
      • - Oxides
      • - Carbides, nitrides and carbo-nitrides
      • - Metals

      It can also be used for estimating the thermodynamic behavior and phase relationships involving fission products (based on Cs. I, Zr, Ru, Ba and Rb, and including noble gases and metallic claddings (Fe, Zr, C).


  • FTOxCN - the FACT High-Temperature Oxycarbonitride Database

    • FactSage 6.3 (2012)

      FTOxCN was introduced in FactSage 6.3 (2012) as a new high-temperature database of Oxycarbonitride phases that has been added to the FACT Package of Databases.

    • It is used designed for performing equilibrium calculations in the Al-(Si-Ca-Mg-Fe)-O-C-N system at very high temperatures.

    • FactSage 6.4 (2013)

      Sulfur has been added as a component to the FTOxCN database which can now be used to perform equilibrium calculations in the Al-(Si-Ca-Mg-Fe)-C-O-N-S system at very high temperatures.

      The liquid "Slag" phase is treated as a single solution phase containing all 9 elements, valid at all temperatures and over all composition ranges of interest. This phase thus incorporates the high-temperature oxycarbide slag, sulfide-rich liquid and oxide slags that might appear at lower temperatures, oxynitride liquids, etc., all in one solution (with possible immiscibility gaps, of course).


  • FToxid - the FACT Oxide Database

    • FactSage 6.1 (2009)

      Changes in Phase names:

      Phase Names in the FToxid solution database in FactSage 5.5 that are no longer in the FToxid solution database in FactSage 6.1

      • SPIN is now SPINA
      • Oliv is now OlivA
      • MnPy and Rhod have been combined into Rhod (MnPy no longer exists)
      • aC2SA and aC2SB have been combined into aC2S
      • bC2SA and bC2SB have been combined into bC2S
      • MULL and MulB have been combined into Mull
      • MeOA, MeOB and MONO have been combined into MeOA and MeOB
      • Also note that fluorine and chlorine are no longer components in SLAGA. They are now in a new phase, SLAGH

    • System Al2O3-SiO2-B2O3-CaO-MgO:
      - All B2O3-containing sub-systems have been completely re-evaluated and re-optimized for all compositions and all phases
      - New B-containing melilite phase (gehlenite) (FToxid-Gehl)
      - New compounds Ca2B2SiO7 and Ca11B2Si4O22
      - New model for B-containing mullite. Former phases FToxid-MulB and FToxid-MULL combined into FToxid-Mull
      - Update of evaluation of boron in Ca2SiO4 (alpha and alpha-prime)

    • System Na2O-B2O3-SiO2:
      - Slag/glass phase re-evaluated and re-modeled. The charge compensation effect has been taken into account.
      - Compounds Na3BO3 and NaBSiO4 added

    • System Na2O-Al2O3-SiO2:
      - Completely re-evaluated and re-optimized at all compositions and for all phases The charge compensation effect has been taken into account for the liquid phase.
      - Nepheline, carnegeite and NaAlO2 (FToxid-Neph, FToxid-Carn, FToxid-NASl and FToxid-NASh) solutions are new, replacing the former stoichiometric compounds NaAlSiO4 and NaAlO2.

    • System Na2O-Al2O3-SiO2-MgO-CaO:
      - Evaluation/optimization updated

    • Systems with MnO and Mn2O3:
      - Mn-Si-O and Mn-Fe-Si-O systems re-evaluated with the addition of trivalent Mn3+ (Mn2O3).
      - New solution phases braunite and bixbyite added (FToxid-Brau and FToxid-Bixb).
      - Slag, spinel and olivine phases updated as regards Mn
      - FToxid-Rhod (rhodonite) updated to include FeSiO3 and MgSiO3 as components. Former phase FToxid-MnPy has been merged into FToxid-Rhod
      - Mn2O3 now a component of the corundum phase FToxid-Coru
      - New tetragonal spinel phase (FToxid-TSPi) added. (Mn3O4 with Fe and Cr in solution)
      - New compounds Mn2O3 and MnO2

    • Systems with chrome oxides:
      - New spinel phase FToxid-SPINB (FeO-CrO-MnO-Cr2O3-Fe2O3-Mn2O3)
      - New (Mg,Cr)-olivine phase FToxid-OlivB.

    • Systems with titanium oxides:
      - Systems TiO2-Al2O3-MO (M = Ca, Mg, Mn) re-evaluated and re-optimized
      - Ti2O3 added as a component to the corundum FToxid-Coru phase
      - Al added as a component to the titanium spinel phase (FToxid-TiSp)

    • Monoxide phase:
      - Former phases FToxid-MeO and FToxid-MONO have been merged into new FToxid-MeO containing FeO-CaO-MgO-MnO-NiO-CoO + (Al, Fe(III),Cr,Zn in dilute amounts)

    • Sulphide solubilities in slags (sulphide capacity):
      - Completely re-evaluated and re-optimized using all available latest experimental data and using a new model (Modified Quasichemical Model in the Quadruplet Approximation) permitting calculations even to high sulphide contents.

    • C, N and CN capacities of slags modeled in FToxid-SLAGH

    • Compound Ca4Si2F2O7 added

    • FactSage 6.2 (2010)

      Changes in phase names in FToxid :

      Proto-pyroxene (pPyr): replaced by pPyrA, pPyrB and pPyrC
      Clino-pyroxene (cPyr): replaced by cPyrA and cPyrB
      Ortho-pyroxene (oPyr): will appear as a possible solution only if MgO is present
      Mg-Zn pyroxene (MgPy): replaced by pPyrC
      Update to FToxid-slag for more accurate calculation of copper and sulfur solubility in fayalite slags.

      Update to FToxid-slag for liquid FeO-TiO2-Ti2O3 solutions in better agreement with latest experimental data.

      Update to FToxid for the CaO-MgO-NiO-SiO2 system including liquid, monoxide, olivine and pyroxene solutions.

      The precise conditions for option 'I' phase selection are now stored within the FToxid database - the selection of '+' or 'I' will be done for you.

      Many new calculated phase diagrams have been added to the documentation for FToxid.

    • FactSage 6.4 (2013)

      Changes have been made in the FToxid database to simplify the selection of phases for calculations with the Equilib and Phase Diagram modules.

      In most cases now, all solutions and all stoichiometric solid phases from FToxid visible in the menu window can be selected. Selection of a stoichiometric compound that is simultaneously an end-member of a solution phase will not adversely affect the calculation. Normally, the FactPS database should be used in combination with FToxid to select gaseous species ONLY. Solid and liquid oxide compounds SHOULD NOT be selected from the FactPS database.

      I- or J-options are introduced by default only when they are normally needed. When there is only a small probability that an I-option or J-option is required, it is NOT introduced by default. (This is done in order to speed up the calculation.) However, in all solutions in which a miscibility gap could possibly occur, this fact is mentioned in the description of that solution. If in doubt, check.

      Even though all solutions and stoichiometric compounds from the FToxid database can now be selected in most cases, this may result in a lengthy calculation for a multicomponent system. To speed up the calculation, one can select only those solutions that are likely to form and make all other solutions metastable. If the calculated activity of a metastable solution is > 1, this solution should be selected (made stable) and the calculation repeated. The FToxid-SLAGG phase for C, N and CN dissolved in molten slag has been removed in FactSage 6.4. For calculations of the solubility of C and N in molten oxides, use the FTOxCN database.

    • FactSage 7.0 (2015)

      (1) Systems containing Na2O and K2O

      The systems Na2O-Al2O3-CaO-SiO2 and K2O-Al2O3-SiO2 have recently been re-evaluated and re-optimized. The binary systems Na2O-X and K2O-X have been evaluated/optimized for X = Al2O3, SiO2 and TiO2, and the liquid solution is assumed ideal for X = CaO, MgO and MnO. This is intended for evaluation of the effect of Na2O and K2O on equilibria between liquid slag and iron/steel. However, only rough estimation can be made for the liquidus in multicomponent Na2O- and K2O-containing systems that are far from the optimized subsystems mentioned above.

      Na was added to the melilite solid solution, which was combined with the gehlenite solid solution. This allows evaluation of the solubility of Na and B in melilite.

      Several other solid solutions have been added to the database, such as nepheline, carnegeite, combeite, kalsilite, NaAlO2 and KAlO2. See detailed descriptions of these solutions by clicking on “Description of Solutions” in the documentation for FToxid.

      (2) Systems containing BaO

      The systems BaO-CaO, BaO-SiO2, BaO-CaO-SiO2, BaO-MnO and BaO-CaO-MnO have recently been optimized for evaluation of the effect of BaO on equilibria between liquid slag and iron/steel. Several Ba-containing solid solutions have been added to the database, such as BaSiO3, Ba3SiO5, CaSiO3-rich pseudo-wollastonite, walstromite [Ca,Ba][Ba,Ca]CaSi3O9 and T-phase Ba2Ca(Ba,Ca)Si2O8. Ba has also been added to monoxide, wollastonite, alpha-prime Ca2SiO4 and alpha Ca2SiO4 solutions. See detailed descriptions of these solutions by clicking on “Description of Solutions” in the documentation for FToxid.

      (3) Systems containing P2O5

      For the system P2O5-SiO2-Al2O3-CaO-MgO-BaO-FeOx-MnO-Na2O, all binary P2O5-containing subsystems have been recently evaluated and optimized. In addition, the key subsystems CaO-MgO-P2O5, CaO-SiO2-P2O5, CaO-Al2O3-P2O5 and CaO-FeO-Fe2O3-P2O5 have been optimized and the subsystems Na2O-CaO-P2O5, Na2O-MgO-P2O5 and Na2O-SiO2-P2O5 have been approximately evaluated. This can be used for evaluation of the effect of P2O5 on equilibria among liquid slag, iron/steel and gas (solution FeLQ from the FTmisc database should be used for liquid iron/steel).

      Liquidus calculations for P2O5-containing systems that substantially deviate from the optimized subsystems mentioned above may be not accurate.

      (4) Oxyfluoride system Ca,Mg,Na,Al,Si//O,F

      All binary, ternary and higher order subsystems of the (Ca,Na,Al,Si//O,F) and (Ca,Mg,Al,Si//O,F) systems have been optimized and the results are included into an additional slag solution, which is called FToxid-OXFL. The database can accurately calculate phase equilibria up to more than 50% of fluorides. The calculations can be less accurate when both MgO and Na2O are present in high concentrations (> 20% each). The database can be used even for fluoride systems without oxides, but it is less accurate than the FTsalt database. See detailed descriptions of FToxid-SLAG and FToxid-OXFL.

      (5) Feldspar

      Feldspar solution NaAlSi3O8 – KAlSi3O8 – CaAl2Si2O8 has been added to the database.

      (6) Melilite

      Thermodynamic properties of melilite in the following subsystems have been optimized: (Ca,Pb)2[Mg,Fe(II),Fe(III),Al,Zn]{Al,Fe(III),Si}2O7, (Ca,Na)2[Al]{Al,Si}2O7 and (Ca)2[Mg,Al,B]{Al,B,Si}2O7. See detailed description of FToxid-Mel_ by clicking on “Description of Solutions”.

    • FactSage 7.1 (2017)

      (1) CaO-MgO-NiO-SiO2 system

      The CaO-MgO-NiO-SiO2 system has been reoptimized. The changes are mostly in the Slag, Monoxide, Melilite, Clino-Pyroxene, Proto-Pyroxene and Olivine solutions

      (2) Systems containing BaO

      The whole BaO-Al2O3-B2O3-CaO-MgO-SiO2 system has been optimized, including 15 solid solutions and numerous stoichiometric compounds.

      (3) Na2O-FeO-Fe2O3-Al2O3-SiO2 system

      The Na2O-FeO-Fe2O3-Al2O3-SiO2 system has been optimized. The following solutions have been updated: Slag, Monoxide, Clino-pyroxene, Mullite, Carnegieite, Nepheline, low- and high-T Meta-aluminate/ferrite (NASl and NASh), Feldspar and beta"-alumina.

      (4) Systems containing ZrO

      ZrO2-containing binaries and ternaries from the Al2O3-CaO-MgO-SiO2-ZrO2 system have been reoptimized, as well as the MnO-ZrO2 binary. Slag, Monoxide and ZrO2-based solid solutions (cubic, tetragonal, monoclinic) have been updated.

      (5) Compound database

      The FToxid compound database now includes the volumetric and thermal conductivity parameters for 52 compounds.

      (6) Minor changes

      There are also a few minor updates/corrections in several solid solutions and compounds.

      Over 50 new FToxid phase diagrams have added to the 'list of stored phase diagrams'.

    • FactSage 7.2 (2018)

      (1) SrO

      SrO has been added to the database. The whole SrO-BaO-Al2O3-B2O3-CaO-MgO-SiO2 system has been optimized, including 27 solid solutions and numerous stoichiometric compounds.

      (2) CaO-MgO-SiO2 system

      Bredigite Ca3(Ca,Mg)4Mg(SiO4)4 solid solution has been added to the CaO-MgO-SiO2 system.

      (3) Calculated phase diagrams

      Approx. 50 new FToxid phase diagrams have added to the 'list of stored phase diagrams'. There are now 421 phase diagrams (was 372 in FactSage 7.1) including 132 (113) binary systems and 289 (259) ternary systems.

    • FactSage 7.3 (2019)

    • MnO and Mn2O3

      Mn2O3 has been added to the CaO-MgO-Al2O3-SiO2-FeO-Fe2O3-MnO system based on several optimized binary and ternary subsystems. MnO-B2O3 has also been optimized. In particular Mn3+ is added to the slag and spinel phases. 18 new stoichiometric compounds have been added to the database.

    • K2O

      The most important binary and ternary K2O-containing systems have been optimized to add K2O to the Na2O-CaO-MgO-Al2O3-SiO2 system. 22 new stoichiometric compounds have been added to the database and a few more have been revised.

    • F

      F is added to the general slag phase. Liquid oxide components can be combined now with both fluorides and sulfides. The database is most accurate when the major slag components are CaO, MgO, Na2O, Al2O3 and SiO2. The distributions of Fe and Cr between liquid metal and oxyfluoride slag are also well reproduced. Normally, the total amount of fluorides and sulfides in the slag should be kept below 50%, even though for certain subsystems the composition can extend to pure fluorides and sulfides.


  • FTpulp - the FACT pulp and paper database

    • FactSage 6.1 (2009)

      New compound data:- gaseous S, S2, S3, S4, .., S8; metastable Na2SO3 and K2SO3; stable pure solid and liquid NaCl and KCl.


  • FTsalt - the FACT salt database

    • FactSage 6.1 (2009)

      Temperature-dependent volumetric properties (densities) have been added in the FTsalt-SALT liquid solution for the following 50 pure liquids: LiF, NaF, KF, RbF, CsF, MgF2, CaF2, LaF3, CeF3, LiBr, NaBr, KBr, RbBr, CsBr, MgBr2, LiI, NaI, KI, RbI, CsI, Li2CO3, Na2CO3, K2CO3, LiNO3, NaNO3, KNO3, RbNO3, CsNO3, LiOH, NaOH, KOH, Li2SO4, Na2SO4, K2SO4, LiCl, NaCl, KCl, RbCl, CsCl, MgCl2, CaCl2, SrCl2, BaCl2, MnCl2, ZnCl2, PbCl2, AlCl3, LaCl3, CeCl3, CaO.

      Volumetric properties (densities) have been modeled in the FTsalt-SALT liquid solution for the following 13 binary liquids: LiF-NaF, LiF-MgF2, LiF-CaF2, NaF-MgF2, NaF-CaF2, MgF2-CaF2, NaCl-KCl, NaCl-MgCl2, NaCl-CaCl2, KCl-MgCl2, KCl-CaCl2, MgCl2-CaCl2, CaF2-CaO. In particular, satisfactory density calculations can be performed for the NaCl-KCl-MgCl2-CaCl2 quaternary liquid.

      Note that the box 'include molar volumes' in the Equilib module must be checked in order to perform density calculations.

      The FTsalt-SALT liquid solution has been extended with the addition of ZnCl2. NaCl-KCl-MgCl2-CaCl2-AlCl3-ZnCl2 is a newly approved sub-system of FTsalt-SALT (corresponding to the ISalt-liquid solution). In particular, all five binary subsystems involving ZnCl2 as well as the NaCl-KCl-ZnCl2 and KCl-CaCl2-ZnCl2 ternary subsystems have been optimized. The following compounds have been added to the FTsalt pure compound database: ZnCl2(s,l), Na2ZnCl4(s), K2ZnCl4(s), KZn2Cl5(s), K5Zn4Cl13(s). The following gaseous species have been added to the FACT53 pure compound database: ZnCl2(g), Zn2Cl4(g), NaZnCl3(g), KZnCl3(g).

    • FactSage 6.2 (2010)

      The precise conditions for option 'I' phase selection are now stored within the FTsalt database - the selection of '+' or 'I' will be done for you.

    • FactSage 6.3 (2012)

      The database has been updated with 20 new solution phases and associated compounds in the nuclear system LiF, PuF3, PuF4, ThF4, UF3, UF4, (NiF2-CrF2-CrF3-MoF5).

    • FactSage 7.3 (2019)

      The new FTsalt 7.3 database has been completely restructured, resulting in a more accurate description for many of the solid solutions.

    • The structure, the Pearson notation and the space group are now displayed for all the solid compounds and solid solutions.

    • Most solid solutions have been modified. In the previous FTsalt database, the Rocksalt-FCC-B1 solid solution (i.e. NaCl-KCl-RbCl…NaF-LiF…NaOH…) was divided into many differently named solution models without common intersolubility. Now in FTsalt 7.3 all the rocksalt solutions are merged into one FCC-B1 solution (rocksalt), which includes hydrides, fluorides, chlorides, bromides, iodides, acetylides, hydroxides and nitrates (with several oxides) of Li, Na, K, Rb, Cs, with solubilities of Mg, Ca, Sr and Ba. The minor solubility of the transition metals and Ag have also been added to the rocksalt solution.

    • Similar efforts have been made in merging solid solutions of the BCC-B2 CsCl structure, sphalerite (B3) and wurtzite (B4).

    • The fluoride CaF2-FCC-C1 solid solution now includes Mg, Ca, Sr and Ba salts (fluorides, chlorides, hydrides, and oxides).

    • A new antifluorite solution has been added with Li, Na, K, Rb, Cs, Ag, Cu as cations, and O, S and C2 as anions.

    • Several MX2 solid solutions have also been added (Strukturbericht C4, C5, C6, C7, C21, C23 and C35).

    • The single perovskite phase PRVK of the type AMX3 (A = alkali cation; M = divalent cation; X = Cl, F), existing in the previous database, has been replaced by four different perovskite phases : E21_ (cubic), oP20 (orthorhombic), hR30 (NaMgCl3 - ilmenite), and hP30 (hexagonal).

    • The Sr and Ba cations have been added to the previous list Li, Na, K, Mg, Ca // Cl, F. That is, the SrF2- and BaF2-containing fluoride sub-systems have been optimized along with the Sr-containing chloro-fluoride reciprocal sub-systems. Currently, the Ba-containing reciprocal sub-systems are only predicted from the model parameters for the common-ion binary sub-systems.

    • Several systems not included in the current lists of constituents (but accessible through the “?” solutions) have been evaluated/optimized based on the available phase diagram data from the literature or on chemically similar systems for which data were available (when data were lacking).

    • New lists of constituents will be added in the future.

    • The total number of stored phase diagrams is now 338 (was 284 in 7.2). All the diagrams have been recalculated using the FTsalt 7.3 database.


  • FScopp - the FactSage Copper Alloy Database

    • FactSage 6.3 (2012)

      In FactSage 6.3 the phase selection has been simplified by introducing specific modifications in the FScopp database files. These modifications are new to FScopp and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • FactSage 7.3 (2019)

      FScopp 7.3 is a major update of the FactSage Copper Alloy Database.

      Elements Ba+Sr+Ce+Nd+Pr+Sm+Y have been removed from the old database and H+Hg+W have been added. The elements removed were not commonly found in Cu alloys, whereas the ones added are more important for Cu alloys and their treatments.

      The new FScopp 7.3 database now contains 40 elements:

        Ag, Al, As, Au, Be, Bi, C, Ca, Cd, Co, Cr, Cu, Fe, Ga, Ge, H, Hg, In, Li, Mg, Mn, Nb, Nd, Ni, O, P, Pb, Pd, Pt, Pr, S, Sb, Se, Si, Sn, Te, Ti, Tl, W, V, Zn, Zr.

      In the old database there were 37 fully assessed binary systems and 134 partially assessed binary systems for a total of 171 binary systems. In the new FScopp 7.3 database, there are now 322 fully assessed binary systems and 89 partially assessed binary systems for a total of 411 binary systems. The assessed binary systems are now fully in agreement with their respective systems in the FSlead 7.3 and FTlite 7.3 databases (7.3).

      A spreadsheet listing all the FScopp 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.


      full size

      More than a third of the assessed systems have the modeling of the Gibbs energy of their liquid phase represented by the Modified Quasichemical Model in the Pair Approximation (MQMPA) which takes into account the short-range-order between species (i.e. Cu-Fe-S, Ag-Te, etc.), while the older database simply used a Bragg-Williams approach (i.e. random mixing). This is a major upgrade of the database.


  • FSlead - the FactSage Lead Alloy Database

    • FactSage 7.3 (2019)

      FSlead 7.3 is a major update of the FactSage Lead Alloy Database.

      Elements Al+Ge+Mn+Pd+Si+Zr have been removed from the old database and Ba+H have been added.

      The new FSlead 7.3 database now contains 25 elements:

        Ag, As, Au, Ba, Bi, C, Ca, Cd, Cu, Fe, Ga, H, Hg, In, Ni, O, Pb, S, Sb, Se, Sn, Sr, Te, Tl, Zn

      In the old database there were 26 fully assessed binary systems and 31 partially assessed binary systems for a total of 57 binary systems.


      full size

      In the new FSlead database, there are 161 fully assessed binary systems . The assessed binary systems are now fully in agreement with their respective systems in the FScopp 7.3 and FTlite 7.3 databases.

      A spreadsheet listing all the FSlead 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.

      More than a third of the assessed systems have the modeling of the Gibbs energy of their liquid phase represented by the Modified Quasichemical Model in the Pair Approximation (MQMPA) which takes into account the short-range-order between species (i.e. Pb-Zn-S, Ag-Te, etc.), while the older database simply used a Bragg-Williams approach (i.e. random mixing). This is a major upgrade of the database.


  • FSstel - the FactSage Steel Alloy Database

    • FactSage 6.1 (2009)

      Species selection with the Equilib and Phase Diagram modules has been made simpler. (Try it and see.)

      Some minor updates. Compound MoS2(s2) removed.

    • FactSage 6.2 (2010)

      Changes in phase names in FSstel :

      fcc: replaced by fcc1
      bcc: replacec by bcc1
      hcp: replaced by hcp1
      etc.
      The elements Hf and Ta have now been included in the updated version of the database. This has resulted in the inclusion of assessed data for 7 new binary systems: C-Hf, Hf-Ta, Hf-Ti, Hf-Ni, Ta-Ti, Si-Ta, Hf-Mo.

      Amendments and updates have been made to 10 binary sub-systems: Al-Mn, Al-N, Al-Zn, C-Mn, C-Mo, Co-Si. Cr-N, Cu-Zn, Fe-Nb, Hf-Mo. The amendments provide improved descriptions and calculations for steels involving the elements listed.

    • FactSage 6.3 (2012)

      The database has been updated to incorporate new assessed data for the following binary systems:

      C-Zr, Hf-Nb, Hf-V, Hf-W, Hf-Zr, Nb-Ta, Ta-V, Ta-Zr, Ti-Zr, V-W, V-Zr, W-Zr

      and for the following ternary and quaternary systems:

      Al-C-Fe, Al-C-Mn, Al-C-Fe-Mn, C-Hf-Nb, C-Hf-W, C-Nb-Ta, C-Nb-Ti, C-Nb-V, C-Nb-W, C-Nb-Zr, C-Ta-W, C-Ti-W, C-V-W, C-W-Zr.

      Parameters for the Cd-Pb system have been revised.

      In FactSage 6.3 phase selection has been simplified by introducing specific modifications in the FSstel database files. These modifications are new to FSstel and are intended to simplify automatic species and phase selection. The selection of certain solution phases now automatically assigns two-phase immiscibility (I-option) in those cases where this is deemed appropriate. Furthermore, certain solution phases will not be shown on the menu pages of the Equilib or Phase Diagram modules, and hence cannot be selected, if components essential to that phase are missing in the input reactants.

      Consequently, with FactSage 6.3, loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, and containing a now restricted phase, may result in the message "The following solution phase could not be located ..." being generated. In such cases, calculations can still be made as before since the restricted phase is not stable in any case as shown from previous calculations.

      In the new solution database, one or two solution phase names have been changed. If, upon loading a private Phas*.dat or Equi*.dat file, stored previously using an earlier version of FactSage, the message "The following solution phase could not be located ..." appears, and if it is known from previous calculations that the missing phase is actually stable, then reference to the phase diagram stored in the documentation will permit the new phase name to be determined.

    • FactSage 6.4 (2013)

      The FSstel database has been modified to simplify the selection of species when the Equilib or Phase Diagram modules are being used. Phases that are not possibly relevant to the calculation at hand will not appear in the menu window. Furthermore, if one now simply selects all the solution phases from FSstel and all the pure solid phases from FSstel that appear in the menu window, a correct calculation will result in most cases, with the I- or J-option (for possible immiscibility) automatically selected if possibly required.

    • FactSage 7.0 (2015)

      The FSstel database has been updated and recently assessed data relating to galvanizing processes associated with the Fe-Al-Mg-Mn-Zn system have been incorporated. These include revised data for the Fe-Zn system and parameters allowing representation of the likely influence of small concentrations of Mg and Mn on previously calculated ternary phase equilibria.

      In addition, the assessed parameters reported by Danielsen and Hald (Calphad 31 (2007) 505) for the Z-phase, found in new 8-12% Cr martensitic steels, have been converted to FactSage format and incorporated in the present database.

      Individual systems for which parameters have been updated or newly included are:

      C-Mn, Fe-Si, Mo-Ti, N-Si, Ni-Si

      C-Cr-Fe, C-Cr-Mn, C-Cr-Si, C-Cr-Ti, C-Fe-Mn, C-Fe-W, C-Mn-Si, C-Mn-V, C-Mo-Ti, C-Mo-V, C-N-Ti, C-Ni-Si, C-Ni-Ti, C-Ni-W, C-V-W, Cr-Fe-Mn, Cr-Fe-W, Cr-Mn-N, Cr-Mn-Ni, Cr-Mn-Ti, Cr-Mo-N, Cr-N-N, Cr-N-W, Fe-Mn-N, Fe-Mn-Ni, Fe-Ni-Si, Fe-Ni-Ti, Mn-Ni-V, N-Si-Ti

      C-Cr-Fe-Mn, C-Cr-Fe-W, C-Cr-Mo-V, Cr-Fe-Mn-N

    • FactSage 7.1 (2017)

      - Revision of the description of the Fe-Si-C system. The description of The Fe-Mn-Si-Al-C system for AHSS calculation is improved.

      - Revision of the Fe-Ti-C system. Better description of TiC formation.

      - Revision of the Al-Fe-Zn system. Inconsistency of Al-Fe-Zn system for Zn galvanizing calculation is resolved.

    • FactSage 7.3 (2019)

      FSstel 7.3 is a major update of the FactSage Steel Alloy Database.

      The FSstel 7.3 database contains 31 elements:

        Al, B, Bi, C, Ca, Ce, Co, Cr, Cu, Fe, Hf, La, Mg, Mn, Mo, N, O, Nb, Ni, P, Pb, S, Sb, Si, Sn, Ta, Ti, V, W, Zn, Zr

      The number of optimized binary systems has been increased to 205 systems (was 140 in 7.2). Many ternary and high order systems have been re-optimized and new systems optimized. The number of stoichiometric compounds has been increased to 437 phases (was 306 in 7.2).

      The liquid phase is now described by the Modified Quasichemical Model (MQM). Within this model, many previous optimizations by random mixing model and new optimizations by MQM have been integrated to give more accurate description of the liquid solution in binary, ternary and higher order systems. The deoxidation and desulfurization behavior of liquid steel are well described in this model. For the accurate description of deoxidation of Fe-Ca and Fe-Mg liquid solution, CaO and MgO associate species have been incorporated into the liquid phase.


      full size

      The following systems have been completely re-assessed to reproduce recent experimental data for high alloyed steels and other steel systems:

    • Al-C-Fe-Mn-Si - entire binary, ternary and quaternary systems - for high Mn, Si, Al alloyed steel.

    • Al-C-Fe-Mn-Si-N - all binary and ternary systems, and several quaternary systems containing N - for high N containing systems.

    • Al-C-Cr-Fe-Mn-Ni-Si-P - all binary and ternary systems, and several quaternary systems containing P - for high P containing systems.

    • Fe-Ni-Cr-Co-Cu-S - entire range of sulfur containing systems - for high S containing system.

    • Al-Co-Cr-Fe-Ni-Ti - all binary systems containing FCC and BCC order/disorder transitions, and several key ternary systems including the Fe-Al-Ni system - for BCC-B2 containing high strength steel.

    • Al-Fe-Zn-Mg-Si - all binary systems and key ternary systems - for Zn galvanizing and new galvanizing alloy systems.

    • Al-Cr-Cu-Fe-Mg-Mn-Si - entire binary, ternary and high order systems.


  • SGTE - the SGTE alloy database

    • FactSage 6.1 (2009)

      SGTE(2007) database was introduced in FactSage 6.1 (2009) as a major expansion and update of the previous SGTE(2004) alloy database with many more fully assessed systems. As well, many previous assessments have been re-evaluated and re-optimized based upon recent data.

    • FactSage 6.4 (2013)

      SGTE(2011) database was introduced in FactSage 6.4 (2013) as an update of the previous SGTE(2007)

      In FactSage 6.4, the SGTE(2011) database has been modified to simplify the selection of species when the Equilib or Phase Diagram modules are being used. Phases that are not possibly relevant to the calculation at hand will not appear in the menu window. Furthermore, if one now simply selects all the solution phases from SGTE(2011) and all the pure solid phases from SGTE(2011) that appear in the menu window, a correct calculation will result in most cases, with the I- or J-option (for possible immiscibility) automatically selected if possibly required.

    • FactSage 7.0 (2015)

      BINS - the SGTE free binary alloy database - has been updated to be consistent with the new SGTE(2014) database.

      The SGTE(2014) database represents a significant update and revision of the previous SGTE(2011) alloy database.

      The 78 elements included in the database are:

        Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr

      From among these elements, there are some 577 completely assessed binary alloy systems, of which over 32 are newly assessed systems and many others have been revised or amended on the basis of newly published experimental information. The database also includes about 141 ternary and 15 higher-order systems for which assessed parameters are available for phases of practical relevance. The systems now incorporate approximately 317 different solution phases and 1166 stoichiometric intermetallic compound phases.

      This version of the SGTE Solution Database thus represents a significantly upgraded general alloy database. The database is intended to provide a sound basis for calculations relating to the production, heat treatment, constitution, and application of a wide range of alloy types.

    • FactSage 7.2 (2018)

      BINS - the SGTE free binary alloy database - has been updated to be consistent with the new SGTE(2017) database.

      The SGTE(2017) database represents a significant update and revision of the previous SGTE(2014) alloy database.

      The 79 elements included in the database are,

        Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr

      From among these elements, there are some 603 completely assessed binary alloy systems, of which 15 are newly assessed systems and 28 others have been revised or amended on the basis of newly published experimental information. The database also includes about 141 ternary and 20 higher-order systems for which assessed parameters are available for phases of practical relevance. The systems now incorporate 318 different solution phases and 1227 compound phases (mainly stoichiometric intermetallics).

      Complete details on SGTE(2017) are given in 'Documentation' in the FactSage Main Menu.


  • SGnobl - the Noble Metal Alloy Database - formerly an SGTE database, now co-developed by The Spencer Group and GTT-Technologies

    • FactSage 6.1 (2009)

      SGnobl was introduced in FactSage 6.1 (2009) as a major expansion and update of the previous FSnobl database for noble metal alloys. The number of fully assessed binary and ternary systems has nearly doubled and many previous assessments have been re-evaluated and re-optimized based upon recent data.

    • FactSage 6.2 (2010)

      The number of binary and ternary systems compared with the previous version of the database is 204 (130) and 122 (7) respectively. While experimental data from original publications have been used in many cases, the large increase in system content is due, in large part, to the use of three major sources of information, namely

      Handbook of Ternary Alloy Phase Diagrams, eds. P. Villars, A. Prince, H. Okamoto, ASM, 1997.

      Ternary Alloys, eds. G. Petzow, G. Effenberg, VCH Verlagsgesellschaft, Weinheim, Vols.1-3, (1988,1990).

      The calculation model for enthalpies of formation, due to X.-Q. Chen and R. Podloucky (CALPHAD 30 (2006) 266-269), which is based on a revised Miedema method in combination with ab initio results.

      Use of these resources has enabled the general scarcity of experimental thermodynamic information for many noble metal systems to be compensated, while retaining a reasonable level of reliability of the resulting assessments.

      In addition, the database has been updated and made compatible with assessments for noble metal-containing systems, originating from work carried out within the framework of COST Action 531, Lead-Free Solders. (Atlas of Phase Diagrams for Lead-Free Soldering compiled by A.T. Dinsdale, A.Watson, A. Kroupa, J. Vrestal, A. Zemanova, and J. Vizdal, published in 2008 by the European Science Foundation)

    • FactSage 7.3 (2019)

      Many minor improvements have been made including:

      - Si in the solution phase DIAMOND_A4 now has the same stability as in Si(s)(diamond_a4)
      - the solubility of Au in Ge (DIAMOND_A4) is now in accordance with SGTE 2017
      - RHOMBOHEDRAL_A7: As,Bi and Sb now have the same stabilities as in their pure stable states
      - the end member Au2Bi in Au2Bi_C15 and Au2Bi(s) now have the same stability
      - the elements Ba and Ca have been added to the BCC_A2 solution phase and Ca has been added to the FCC_A1 solution phase as well
      - for the systems Ba-Ru and Ca-Ru an artificial phase stablity of the BCC_A2 phase has been corrected. The same has been done for CUB1 (CUB_A13) in the Ag-Co system.
      - Two new solution phases have been introduced: BETA_RHOMBO_B corresponding to B(s) with solubility for Mn (in accordance with SGTE2017), GRAPHITE, pure C with solubility for B (in accordance with SGTE2017).

      There is an important major improvement:

      - the calculated phase diagram no longer depends on the inclusion/exclusion of the pure elements in the phase selection. Calculation with both solution phases and pure elements selected leads to the same result as calculating with only the solution phases selected.


      full size

      A spreadsheet listing all the SGnobl 7.3 binary assessments has been prepared.

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.


  • SGsold - the SGTE Solder Metal Alloy Database

    • FactSage 6.1 (2009)

      This is a new database from SGTE for alloy systems involving the following elements which are components of lead-containing and lead-free solders: Ag, Au, Bi, Cu, In, Ni, Pb, Pd, Sb, Sn, Zn.



  • SpMCBN - the Spencer Group SpMCBN database for non-oxide refractory carbides, borides, nitrides and silicides.

    • FactSage 7.0 (2015)

      SpMCBN was introduced in FactSage 7.0 (2015) as a new database that contains assessed thermodynamic parameters for binary and ternary alloys of high-temperature materials containing carbon, nitrogen, boron, and silicon. The alloys include

      Me1-Me2-C, Me1-Me2-N, Me1-Me2-B, Me1-Me2-Si, Me-C-N, Me-C-B, Me-C-Si, Me-N-B, Me-N-Si and Me-B-Si systems.

      The database is compatible with assessed data for relevant binary, and some ternary systems from the SGTE2011 Solution Database, but the SpMCBN Database incorporates thermodynamic parameters for very many previously un-assessed systems. Calculations of thermodynamic properties and phase diagrams can be carried out for approximately 180 binary, and over 200 ternary systems, for the individual temperatures or temperature ranges covered by the available experimental information.

      The general procedure used in obtaining assessed parameters for the solution and compound phases of the large number of previously un-assessed ternary systems in the SpMCBN Database has been to combine the phase boundary information contained in the ASM Handbook of Ternary Alloy Phase Diagrams with available assessed thermodynamic data for the appropriate binary sub-systems. This has allowed a completely compatible set of values to be derived to describe binary and ternary thermodynamic properties and phase equilibria for a particular system. The elements included in the Spencer Group SpMCBN refractory database are:

      B, C, N, Si with

      Al, Ca, Co, Cr, Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re, Sc, Ta, Tc, Ti, V, W, Y, Zr

    • FactSage 7.2 (2018)

      Approx. 180 new SpMCBN phase diagrams have optimized and added to the 'list of stored phase diagrams' bringing the total to 633.

      (1) Amended systems

      B-Fe B-Si Hf-N

      (2) New binary systems

      B-Re B-Tc B-Y C-Re C-Sc C-Tc Co-Hf Co-Sc Co-Ti Cr-Hf Cr-Re Cr-Sc Cr-Y Fe-Hf Hf-Re Hf-Y Mo-Re Mo-Sc Mo-Tc Mo-Y N-Y Nb-Re Nb-Sc Nb-Y Ni-Re Ni-Sc Ni-Tc Re-Sc Re-Si Re-Tc Re-Ti Re-V Re-Y Re-Zr Sc-Si Sc-Ta Sc-Ti Sc-W Ta-Y Tc-Ti Tc-W Ti-Y V-Y W-Y

      (3) New ternary systems

      Al-B-C Al-B-Co Al-B-Cr Al-B-Fe Al-B-Mo Al-B-N Al-B-Nb Al-B-Ni Al-B-Re Al-B-Ti Al-B-V Al-B-Zr Al-C-Co Al-C-Cr Al-C-Fe Al-C-Hf Al-C-Mo Al-C-Nb Al-C-Ni Al-C-Sc Al-C-Ta Al-C-Ti Al-C-V Al-C-W Al-C-Zr Al-Cr-N Al-Hf-N Al-Mo-N Al-N-Nb Al-N-Ni Al-N-Si Al-N-Ta Al-N-Ti Al-N-V Al-N-W Al-N-Zr

      B-C-Cr B-C-Hf B-C-Mo B-C-Nb B-C-Ni B-C-Sc B-C-Si B-Co-Cr B-Co-Hf B-Co-Mo B-Co-N B-Co-Nb B-Co-Re B-Co-Si B-Co-Ta B-Co-V B-Co-W B-Co-Y B-Co-Zr B-Cr-Fe B-Cr-N B-Cr-Sc B-Cr-Y B-Fe-Hf B-Fe-N B-Fe-Sc B-Hf-Re B-Mo-N B-Mo-Y B-N-Nb B-N-Ni B-N-Ta B-N-Y B-Ni-Re B-Ni-Sc B-Re-Sc B-Re-Si B-Re-Ta B-Re-Ti B-Re-V B-Re-Y B-Re-Zr B-Sc-W B-Sc-W B-Si-Y B-W-Y

      C-Co-Hf C-Co-Nb C-Co-Si C-Co-Ta C-Co-Ti C-Co-V C-Co-Zr C-Cr-Hf C-Cr-N C-Cr-N C-Cr-Re C-Fe-Hf C-Hf-N C-Hf-Re C-Mo-Re C-N-W C-Nb-Re C-Re-Si C-Re-Ta C-Re-Zr C-Sc-Ti C-Sc-Zr C-Si-Ta

      Co-Mo-Si Co-N-Nb Co-N-Si Co-N-V Co-Nb-Si Co-Sc-Si Co-Si-Ti Co-Si-W

      Cr-Fe-Si Cr-Hf-N Cr-N-Ti Cr-Sc-Si Cr-Si-Y

      Fe-Mn-Si Fe-Mo-N Fe-N-Nb Fe-N-Ti Fe-N-W

      Hf-N-Si

      Mo-N-Ni Mo-N-V Mo-Si-Y

      N-Nb-Si N-Nb-Ta N-Ta-Ti N-Si-Ta N-Si-Ti N-Si-Y N-Si-Zr

      Nb-Si-V

      Ni-Re-Si

      Re-Sc-Si Re-Si-Y

      Sc-Si-Ta Sc-Si-V Sc-Si-W

    • FactSage 7.3 (2019)

      SpMCBN contains assessed thermodynamic parameters for binary and ternary alloys of high-temperature materials containing carbon, nitrogen, boron, and silicon. The alloys include Me1-Me2-C, Me1-Me2-N, Me1-Me2-B, Me1-Me2-Si, Me-C-N, Me-C-B, Me-C-Si, Me-N-B, Me-N-Si and Me-B-Si systems.

      The database has been updated and new ternary refractory metal Me1-Me2-Me3 systems have also been added. The lists of the new and revised binary and ternary systems are as follows:

    • Binary systems

        C-Ca, Mn-Si


      A spreadsheet listing all the SpMCBN 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module:
      'Documentation > [SpMCBN] > Spreadsheet of binary assessments ...'

      It is also available in the View Data module:
      'View Data > Data compound > SpMCBN > Elements: ALL > Assessments ...'


    • full size

    • Ternary systems

        B-C-Fe, B-N-Al, B-N-Mn, B-N-Re, B-N-Sc, B-Si-Mn, C-N-Si, C-Si-Mn, N-Si-Mn, N-Si-Re, N-Si-Sc, Co-Cr-Re, Cr-Mo-Nb, Cr-Mo-Ni, Cr-Mo-Ta, Cr-Mo-Ti, Cr-Mo-V, Cr-Mo-Zr, Cr-Nb-Ta, Cr-Nb-Ti, Cr-Nb-Zr, Cr-Ni-Re, Cr-Ni-Ti, Cr-Re-Ta, Cr-Ta-Ti, Cr-Ta-V, Cr-Ta-W, Cr-Ta-Zr, Cr-Ti-Zr, Cr-V-W



  • Public Databases

      Screenshot showing the summary of all the public databases in FactSage 7.3.

  • FactPS, ELEM and SGPS are compounds-only (pure substances) databases.

  • FactPS, FToxid, FTsalt, FTmisc, FTOxCN, FTfrtz, FThelg, FTpulp ELEM and FTdemo are included in the FACT package of databases. FTlite and FTnucl are special databases that are leased separately.

  • FactPS, FToxid, FTsalt, FTlite, FScopp, FSlead, FSstel, SGPS, SGnobl and SpMCBN have been updated in FactSage 7.3.

  • FTnucl and SpMCBN first appeared in FactSage 7.0.

  • FSlite, FSnobl and SGSL were dropped in FactSage 7.0 and SGnucl has been dropped from FactSage 7.3

  • For detailed database information go to the FactSage Main Menu and click Documentation.

  • [www.FactSage.com] [CRCT] [GTT]