$ $ Database for Sb-As from I. Ansara et al. 1994 (Included in LB Vol. 1) $ $ I. Ansara, C. Chatillon, H.L. Lukas, T. Nishizawa, H. Ohtani, K. Ishida, $ M. Hillert, B. Sundman, B.B. Argent, A. Watson, T.G. Chart, T. Anderson, $ Calphad, 18, 177-222(1994). $ $ Dataset created 2013.07.14 by Bengt Hallstedt. $ 2021.02.05: Modified for use with GES6. $ $ ------------------------------------------------------------------------------ TEMP-LIM 298.15 6000.00 ! $ $ELEMENT NAME REF. STATE ATOMIC MASS H298-H0 S298 ! $ ELEMENT VA VACUUM 0.0 0.0 0.0 ! ELEMENT AS RHOMBOHEDRAL_A7 74.922 5117.032 35.6895 ! ELEMENT SB RHOMBOHEDRAL_A7 121.75 5870.152 45.5219 ! $ ------------------------------------------------------------------------------ $ Species $ SPECIE AS2 AS2 ! SPECIE AS4 AS4 ! SPECIE ASSB AS1SB1 ! SPECIE ASSB3 AS1SB3 ! SPECIE AS2SB2 AS2SB2 ! SPECIE AS3SB AS3SB1 ! SPECIE SB2 SB2 ! SPECIE SB3 SB3 ! SPECIE SB4 SB4 ! $ ------------------------------------------------------------------------------ $ Phase definitions $ PHASE LIQUID:L % 1 1 ! CONST LIQUID:L : AS SB : ! $ $ Fcc (cF4) and MeX (cF8) $ PHASE FCC_A1 %A 2 1 1 ! CONST FCC_A1 : AS SB : VA : ! $ $ Bcc (cI2, Im-3m) $ PHASE BCC_A2 %B 2 1 3 ! CONST BCC_A2 : AS SB : VA : ! $ $ Hcp (hP2, P6_3/mmc) and Me2X (NiAs-type, hP4, P6_3/mmc, B8_1) $ PHASE HCP_A3 %A 2 1 0.5 ! CONST HCP_A3 : AS SB : VA : ! $ $ Prototype alpha-As (hR2, R-3m) $ PHASE RHOMBOHEDRAL_A7 % 1 1 ! CONST RHOMBOHEDRAL_A7 : AS SB : ! $ PHASE GAS:G % 1 1 ! CONST GAS:G : AS AS2 AS4 ASSB ASSB3 AS2SB2 AS3SB SB SB2 SB3 SB4 : ! $ ------------------------------------------------------------------------------ $ Defaults $ DEFINE-SYSTEM-DEFAULT ELEMENT 2 ! DEFAULT-COM DEFINE_SYSTEM_ELEMENT VA ! TYPE-DEF % SEQ * ! TYPE-DEF A GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -3 0.28 ! TYPE-DEF B GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -1 0.4 ! FUNCTION ZERO 298.15 0; 6000 N ! FUNCTION UN_ASS 298.15 0; 6000 N ! FUNCTION R 298.15 +8.31451; 6000 N ! FUNCTION RTLNP 298.15 +8.31451*T*LN(1E-05*P); 6000 N ! $ ------------------------------------------------------------------------------ $ Element data $ ------------------------------------------------------------------------------ $ As $ $ RED_P added in unary 4.4 $ PAR G(RHOMBOHEDRAL_A7,AS),, +GHSERAS; 1200 N 91Din ! PAR G(FCC_A1,AS:VA),, +GHSERAS+24874-14.74*T; 1200 N 91Din ! PAR G(BCC_A2,AS:VA),, +GHSERAS+24874-16.1*T; 1200 N 91Din ! PAR G(HCP_A3,AS:VA),, +GHSERAS+24874-14*T; 1200 N 91Din ! $PAR G(RED_P,AS),, +GHSERAS+5782-3.85466*T; 1200 N 94Ans ! PAR G(LIQUID,AS),, +GHSERAS +24442.9-22.424679*T; 1200 N 91Din ! $ PAR G(GAS,AS),, +AS1G+RTLNP;,, N 00SUB ! PAR G(GAS,AS2),, +AS2G+RTLNP;,, N 00SUB ! PAR G(GAS,AS4),, +AS4G+RTLNP;,, N 00SUB ! $ FUNCTION GHSERAS 298.15 -7270.447+122.211069*T-23.3144*T*LN(T) -0.00271613*T**2+11600*T**(-1); 1090.00 Y -10454.913+163.457433*T-29.216037*T*LN(T); 1200.00 N ! FUNCTION GLIQAS 298.15 +GHSERAS+24442.9-22.424679*T; 6000 N ! FUNCTION GHCPAS 298.15 +GHSERAS+24874-14*T; 6000 N ! FUNCTION AS1G 298.15 +272027.85-32.2533338*T-21.21551*T*LN(T) +4.3891495E-04*T**2-7.393995E-08*T**3+9666.555*T**(-1); 1800.00 Y +293094.184-133.732322*T-8.281945*T*LN(T) -0.002703715*T**2+3.43112833E-08*T**3-6025190*T**(-1); 3700.00 Y +260892.566-76.0337618*T-14.46743*T*LN(T) -0.002830183*T**2+8.062755E-08*T**3+16685580*T**(-1); 6400.00 Y -42687.3967+565.669048*T-87.99118*T*LN(T) +0.005136275*T**2-8.21615833E-08*T**3+2.534398E+08*T**(-1); 60000.00 N ! FUNCTION AS2G 298.15 +179351.548+10.5519715*T-37.35966*T*LN(T) -5.61806E-05*T**2-2.13098E-08*T**3+104881.15*T**(-1); 2200.00 Y +190396.109-11.4088459*T-35.19088*T*LN(T) +8.55731E-04*T**2-1.59161083E-07*T**3-5169920*T**(-1); 4500.00 Y +461366.155-824.888486*T+62.44495*T*LN(T) -0.014841615*T**2+3.152775E-07*T**3-1.469506E+08*T**(-1); 6000.00 N ! FUNCTION AS4G 298.15 +129731.745+230.754352*T-83.04465*T*LN(T) -2.5148475E-05*T**2+1.00444733E-09*T**3+252728.45*T**(-1); 6000.00 N ! $ ------------------------------------------------------------------------------ $ Sb $ $ BCT_A5 revised in unary 3.0 $ $ BCT_A5 the value from 91Din is used in LBall-v7+fun.tdb. $ BCT_A5 the value from 96SGUN is used in SGSOL 5.0. $ It is only needed in Sb-Sn. $ PAR G(RHOMBOHEDRAL_A7,SB),, +GHSERSB; 2000 N 91Din ! PAR G(FCC_A1,SB:VA),, +GHSERSB+19874-13.7*T; 2000 N 91Din ! PAR G(BCC_A2,SB:VA),, +GHSERSB+19874-15.1*T; 2000 N 91Din ! PAR G(HCP_A3,SB:VA),, +GHSERSB+19874-13*T; 2000 N 91Din ! $PAR G(BCT_A5,SB),, +GHSERSB+13000-8*T; 2000 N 96SGUN ! $PAR G(BCT_A5,SB),, +GHSERSB+1000; 2000 N 91Din ! PAR G(LIQUID,SB),, +GLIQSB; 2000 N 91Din ! $ PAR G(GAS,SB),, +SB1G+RTLNP;,, N 00SUB ! PAR G(GAS,SB2),, +SB2G+RTLNP;,, N 00SUB ! PAR G(GAS,SB3),, +SB3G+RTLNP;,, N 00SUB ! PAR G(GAS,SB4),, +SB4G+RTLNP;,, N 00SUB ! $ FUNCTION GHSERSB 298.15 -9242.858+156.154689*T-30.5130752*T*LN(T) +0.007748768*T**2-3.003415E-06*T**3+100625*T**(-1); 903.78 Y -11738.83+169.485872*T-31.38*T*LN(T)+1.616849E+27*T**(-9); 2000.00 N ! FUNCTION GLIQSB 298.15 +19822.328-21.923164*T+GHSERSB-1.74847E-20*T**7; 903.78 Y +8175.359+147.455986*T-31.38*T*LN(T); 2000.00 N ! FUNCTION SB1G 298.15 +260807.82-37.9550038*T-21.27672*T*LN(T) +5.524195E-04*T**2-1.05228767E-07*T**3+9996.235*T**(-1); 1500.00 Y +277520.519-132.229974*T-8.970999*T*LN(T) -0.0030704565*T**2+5.21558333E-08*T**3-3997436*T**(-1); 3200.00 Y +220721.423+26.8449864*T-27.71232*T*LN(T) -7.8024E-04*T**2+2.46637333E-08*T**3+25565705*T**(-1); 5700.00 Y +181935.295+193.241235*T-48.14252*T*LN(T) +0.0028203175*T**2-8.119545E-08*T**3+25871630*T**(-1); 9000.00 Y +1141367.55-1326.1236*T+119.631*T*LN(T) -0.010240775*T**2+1.09708933E-07*T**3-1.0049905E+09*T**(-1); 10000.00 N ! FUNCTION SB2G 298.15 +225644.034-1.64062093*T-38.03868*T*LN(T) +5.08568E-04*T**2-1.31408217E-07*T**3+60968.15*T**(-1); 1700.00 Y +231514.886-6.69092891*T-38.05471*T*LN(T) +0.00253181*T**2-4.26984E-07*T**3-2451004*T**(-1); 3400.00 Y +569974.061-1288.56295*T+120.7968*T*LN(T) -0.030603185*T**2+8.68664667E-07*T**3-1.376966E+08*T**(-1); 5700.00 Y -689327.546+1714.84499*T-228.6644*T*LN(T) +0.012556505*T**2-1.31793767E-07*T**3+7.14668E+08*T**(-1); 6000.00 N ! FUNCTION SB3G 298.15 +277165.227+46.0530737*T-58.19257*T*LN(T) -2.0866265E-06*T**2+8.316025E-11*T**3+43601.08*T**(-1); 6000.00 N ! FUNCTION SB4G 298.15 +192849.585+194.765811*T-83.12392*T*LN(T) -5.116865E-06*T**2+2.043415E-10*T**3+115767.85*T**(-1); 6000.00 N ! $ ------------------------------------------------------------------------------ $ Binary system $ $ From I. Ansara et al. 1994 (Included in LB Vol. 1) $ $ I. Ansara, C. Chatillon, H.L. Lukas, T. Nishizawa, H. Ohtani, K. Ishida, $ M. Hillert, B. Sundman, B.B. Argent, A. Watson, T.G. Chart, T. Anderson, $ Calphad, 18, 177-222(1994). $ $ Checked against LB and paper. Checked at 6000 K. $ PAR L(LIQUID,AS,SB;0),, -16197.1+8.9167*T;,, N 94Ans ! PAR L(LIQUID,AS,SB;1),, -5018;,, N 94Ans ! $ PAR L(RHOMBOHEDRAL_A7,AS,SB;0),, +2176.3-3.2164*T;,, N 94Ans ! PAR L(RHOMBOHEDRAL_A7,AS,SB;1),, -5300;,, N 94Ans ! $ PAR G(GAS,ASSB),, +AS1SB1G+RTLNP;,, N 00SUB ! PAR G(GAS,ASSB3),, +AS1SB3G+RTLNP;,, N 00SUB ! PAR G(GAS,AS2SB2),, +AS2SB2G+RTLNP;,, N 00SUB ! PAR G(GAS,AS3SB),, +AS3SB1G+RTLNP;,, N 00SUB ! $ FUNCTION AS1SB1G 298.15 +211663.042-1.92474626*T-37.59641*T*LN(T) +1.256325E-04*T**2-6.23121667E-08*T**3+79822.7*T**(-1); 1700.00 Y +214598.477-4.44994282*T-37.60442*T*LN(T) +0.0011372535*T**2-2.101E-07*T**3-1176163*T**(-1); 3000.00 N ! FUNCTION AS1SB3G 298.15 +176316.699+194.150775*T-83.07418*T*LN(T) -2.6862745E-05*T**2+1.7468E-09*T**3+150929.4*T**(-1); 3000.00 N ! FUNCTION AS2SB2G 298.15 +163893.813+199.185739*T-83.02444*T*LN(T) -4.860865E-05*T**2+3.28926667E-09*T**3+186090.9*T**(-1); 3000.00 N ! FUNCTION AS3SB1G 298.15 +147770.924+210.970771*T-82.97471*T*LN(T) -7.03545E-05*T**2+4.83173333E-09*T**3+221252.45*T**(-1); 3000.00 N ! $ ------------------------------------------------------------------------------ $ ASSESSED_SYSTEM AS-SB(TDB -* +GAS +LIQ +RHOMB_A7 ;G5 C_S:RHOMB_A7/SB MAJ:RHOMB_A7/AS ;P3 TMM:100/1500 DOR:GAS STP:0.8/600/2 STP:0.2/150/1) ! $ $ LIST-OF-REFERENCE NUMBER SOURCE Null 'Unknown source' Same 'Same or similar interaction as in the corresponding stable phase' COST 'COST 507 database' 91Din 'A.T. Dinsdale, Calphad, 15, 317-425(1991).' 94Ans 'I. Ansara, C. Chatillon, H.L. Lukas, T. Nishizawa, H. Ohtani, K. Ishida, M. Hillert, B. Sundman, B.B. Argent, A. Watson, T.G. Chart, T. Anderson, Calphad, 18, 177-222(1994), SGTE unary database V.4.4, 2001; As, P, Sb-As' 96SGUN 'SGTE unary database V.3.0, 1996.' 00SUB 'SGTE substance database, version 2000' !