Date and time of run 1-JAN-2026 00:30:16 * SYSTEM = Fe,Nb,Mn,C, * NUMBER OF PHASES = 46 * NUMBER OF SPECIES = 111 * DATA FILE = /mnt/bart/users/hkdb/def.mpi *** PROBLEM settings *** SYSTEM ELEMENTS : CFeMnNb NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 Fe # TO BAL 1751.21 2 Nb NORMAL 1.07635 3 Mn NORMAL 36.4047 4 C NORMAL 8.32570 NUMBER PHASE STATUS MODEL 1 DIAMOND_A4 NORMAL PURE SUBSTANCE 2 GRAPHITE NORMAL PURE SUBSTANCE 3 LIQUID ABSENT REDLICH-KISTER 4 BCC_A2 ABSENT SUBLATTICE 5 CBCC_A12 NORMAL SUBLATTICE 6 CEMENTITE ABSENT SUBLATTICE 7 CUB_A13 NORMAL SUBLATTICE 8 FCC_A1 ABSENT SUBLATTICE 9 FE4N ABSENT SUBLATTICE 10 FECN_CHI NORMAL PURE SUBSTANCE 11 HCP_A3 ABSENT SUBLATTICE 12 KSI_CARBIDE NORMAL PURE SUBSTANCE 13 M3C2 NORMAL SUBLATTICE 14 M5C2 NORMAL SUBLATTICE 15 M7C3 NORMAL SUBLATTICE 16 V3C2 NORMAL SUBLATTICE 17 BCC_B2 ABSENT CHEMICAL ORDERING(C) 18 FCC_L12 ABSENT CHEMICAL ORDERING 19 M23C6 NORMAL SUBLATTICE 20 AL5FE4 NORMAL REDLICH-KISTER 21 ORTHORHOMBIC_A20 NORMAL PURE SUBSTANCE 22 TETRAGONAL_U NORMAL PURE SUBSTANCE 23 FE2U NORMAL PURE SUBSTANCE 24 FESB NORMAL PURE SUBSTANCE 25 FEU6 NORMAL PURE SUBSTANCE 26 FEUZR_DELTA NORMAL PURE SUBSTANCE 27 FEZN4 NORMAL PURE SUBSTANCE 28 FEZN_DELTA NORMAL PURE SUBSTANCE 29 FEZN_GAMMA_D82 NORMAL PURE SUBSTANCE 30 FEZN_ZETA NORMAL PURE SUBSTANCE 31 FEZR2 NORMAL PURE SUBSTANCE 32 FEZR3 NORMAL PURE SUBSTANCE 33 LAVES_C14 ABSENT SUBLATTICE 34 LAVES_C15 ABSENT SUBLATTICE 35 LAVES_PHASE NORMAL PURE SUBSTANCE 36 MU_PHASE NORMAL SUBLATTICE 37 MN2ZR NORMAL PURE SUBSTANCE 38 AL3NB NORMAL PURE SUBSTANCE 39 ALM_D019 NORMAL PURE SUBSTANCE 40 ALNB3 NORMAL PURE SUBSTANCE 41 ALTI NORMAL PURE SUBSTANCE 42 CONB_LAMBDA NORMAL PURE SUBSTANCE 43 NB3SN_C15 NORMAL PURE SUBSTANCE 44 NBNI_MU NORMAL PURE SUBSTANCE 45 NI3NB NORMAL PURE SUBSTANCE 46 ALNB2 NORMAL PURE SUBSTANCE NUMBER SUBSTANCE STATUS/CONSTRAINT 1 C NORMAL 2 C NORMAL 3 C NORMAL 4 Fe NORMAL 5 Mn NORMAL 6 Nb NORMAL 7 Fe:1 NORMAL 8 Mn:1 NORMAL 9 Nb:1 NORMAL 10 C:2 NORMAL 11 Va:2 NORMAL 12 Fe:1 NORMAL 13 Mn:1 NORMAL 14 C:2 NORMAL 15 Va:2 NORMAL 16 Fe:1 NORMAL 17 Mn:1 NORMAL 18 Nb:1 NORMAL 19 C:2 NORMAL 20 Fe:1 NORMAL 21 Mn:1 NORMAL 22 C:2 NORMAL 23 Va:2 NORMAL 24 Fe:1 NORMAL 25 Mn:1 NORMAL 26 Nb:1 NORMAL 27 C:2 NORMAL 28 Va:2 NORMAL 29 Fe:1 NORMAL 30 Mn:1 NORMAL 31 C:2 NORMAL 32 Va:2 NORMAL 33 Fe5C2 NORMAL 34 Fe:1 NORMAL 35 Mn:1 NORMAL 36 Nb:1 NORMAL 37 C:2 NORMAL 38 Va:2 NORMAL 39 Fe3C NORMAL 40 Fe:1 NORMAL 41 Mn:1 NORMAL 42 C:2 NORMAL 43 Fe:1 NORMAL 44 Mn:1 NORMAL 45 C:2 NORMAL 46 Fe:1 NORMAL 47 Mn:1 NORMAL 48 C:2 NORMAL 49 Fe:1 NORMAL 50 Mn:1 NORMAL 51 C:2 NORMAL 52 Fe:1 NORMAL 53 Mn:1 NORMAL 54 Nb:1 NORMAL 55 Fe:2 NORMAL 56 Mn:2 NORMAL 57 Nb:2 NORMAL 58 C:3 NORMAL 59 Va:3 NORMAL 60 Fe:1 NORMAL 61 Mn:1 NORMAL 62 Nb:1 NORMAL 63 Fe:2 NORMAL 64 Mn:2 NORMAL 65 Nb:2 NORMAL 66 C:3 NORMAL 67 Va:3 NORMAL 68 Fe:1 NORMAL 69 Mn:1 NORMAL 70 Fe:2 NORMAL 71 Mn:2 NORMAL 72 C:3 NORMAL 73 Fe NORMAL 74 Mn NORMAL 75 Fe NORMAL 76 Fe NORMAL 77 Fe2Fe NORMAL 78 FeFe NORMAL 79 FeFe6 NORMAL 80 FeFe2 NORMAL 81 Fe.25Fe.75 NORMAL 82 Fe.125Fe.875 NORMAL 86 FeFe3 NORMAL 87 Fe:1 NORMAL 88 Mn:1 NORMAL 89 Nb:1 NORMAL 90 Fe:2 NORMAL 91 Mn:2 NORMAL 92 Nb:2 NORMAL 93 Fe:1 NORMAL 94 Nb:1 NORMAL 95 Fe:2 NORMAL 96 Nb:2 NORMAL 97 Fe2Nb NORMAL 98 Fe:1 NORMAL 99 Nb:2 NORMAL 100 Fe:3 NORMAL 101 Nb:3 NORMAL 102 Mn2Mn NORMAL 103 Nb.25Nb.75 NORMAL 104 Nb3Nb NORMAL 105 Nb.75Nb.25 NORMAL 106 NbNb NORMAL 107 Nb2Nb NORMAL 108 Nb3Nb NORMAL 109 Nb7Nb6 NORMAL 110 Nb3Nb NORMAL 111 Nb.533Nb.333Nb.134 sgte_sol 298.15 6000.00 C sgte_sol 298.15 6000.00 C sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Mn sgte_sol 298.15 2000.00 Nb sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Mn:Va sgte_sol 298.15 2000.00 Nb:C sgte_sol 298.15 6000.00 Nb:Va sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Mn:Va sgte_sol 298.15 2000.00 Fe:C sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Nb:C sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Mn:Va sgte_sol 298.15 2000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Mn:Va sgte_sol 298.15 2000.00 Nb:C sgte_sol 298.15 6000.00 Nb:Va sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C NODATA 298.15 298.00 Mn:Va sgte_sol 298.15 2000.00 Fe5C2 sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Mn:Va sgte_sol 298.15 2000.00 Nb:C sgte_sol 298.15 6000.00 Nb:Va sgte_sol 298.15 6000.00 Fe3C sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 6000.00 Fe:C sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Fe:C sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 2000.00 Fe:C sgte_sol 298.15 6000.00 Mn:C sgte_sol 298.15 6000.00 Fe:Fe:C sgte_sol 298.15 6000.00 Fe:Fe:Va sgte_sol 298.15 6000.00 Fe:Mn:C NODATA 298.15 298.00 Fe:Mn:Va NODATA 298.15 298.00 Fe:Nb:C NODATA 298.15 298.00 Fe:Nb:Va NODATA 298.15 298.00 Mn:Fe:C NODATA 298.15 298.00 Mn:Fe:Va NODATA 298.15 298.00 Mn:Mn:C sgte_sol 298.15 6000.00 Mn:Mn:Va sgte_sol 298.15 6000.00 Mn:Nb:C NODATA 298.15 298.00 Mn:Nb:Va NODATA 298.15 298.00 Nb:Fe:C NODATA 298.15 298.00 Nb:Fe:Va NODATA 298.15 298.00 Nb:Mn:C NODATA 298.15 298.00 Nb:Mn:Va NODATA 298.15 298.00 Nb:Nb:C sgte_sol 298.15 6000.00 Nb:Nb:Va sgte_sol 298.15 6000.00 Fe:Fe:C sgte_sol 298.15 6000.00 Fe:Fe:Va sgte_sol 298.15 6000.00 Fe:Mn:C NODATA 298.15 298.00 Fe:Mn:Va NODATA 298.15 298.00 Fe:Nb:C NODATA 298.15 298.00 Fe:Nb:Va NODATA 298.15 298.00 Mn:Fe:C NODATA 298.15 298.00 Mn:Fe:Va NODATA 298.15 298.00 Mn:Mn:C sgte_sol 298.15 6000.00 Mn:Mn:Va sgte_sol 298.15 6000.00 Mn:Nb:C NODATA 298.15 298.00 Mn:Nb:Va NODATA 298.15 298.00 Nb:Fe:C NODATA 298.15 298.00 Nb:Fe:Va NODATA 298.15 298.00 Nb:Mn:C NODATA 298.15 298.00 Nb:Mn:Va NODATA 298.15 298.00 Nb:Nb:C sgte_sol 298.15 6000.00 Nb:Nb:Va sgte_sol 298.15 6000.00 Fe:Fe:C sgte_sol 298.15 6000.00 Fe:Mn:C sgte_sol 298.15 2000.00 Mn:Fe:C sgte_sol 298.15 2000.00 Mn:Mn:C sgte_sol 298.15 2000.00 Fe sgte_sol 298.15 6000.00 Mn sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe2Fe sgte_sol 298.15 2500.00 FeFe sgte_sol 298.15 3000.00 FeFe6 sgte_sol 298.15 2500.00 FeFe2 sgte_sol 298.15 2500.00 Fe.25Fe.75 sgte_sol 298.15 3000.00 Fe.125Fe.875 sgte_sol 298.15 3000.00 Fe.3Fe.7 sgte_sol 298.15 3000.00 Fe.072Fe0.928 sgte_sol 298.15 3000.00 FeFe2 sgte_sol 298.15 6000.00 FeFe3 sgte_sol 298.15 6000.00 Fe:Fe sgte_sol 298.15 6000.00 Fe:Mn NODATA 298.15 298.00 Fe:Nb NODATA 298.15 298.00 Mn:Fe NODATA 298.15 298.00 Mn:Mn sgte_sol 298.15 2000.00 Mn:Nb NODATA 298.15 298.00 Nb:Fe NODATA 298.15 298.00 Nb:Mn NODATA 298.15 298.00 Nb:Nb sgte_sol 298.15 6000.00 Fe:Fe sgte_sol 298.15 6000.00 Fe:Nb NODATA 298.15 298.00 Nb:Fe NODATA 298.15 298.00 Nb:Nb sgte_sol 298.15 6000.00 Fe2Nb sgte_sol 298.15 6000.00 Fe:Nb:Fe sgte_sol 298.15 6000.00 Fe:Nb:Nb sgte_sol 298.15 6000.00 Mn2Mn sgte_sol 298.15 2000.00 Nb.25Nb.75 sgte_sol 298.15 4000.00 Nb3Nb sgte_sol 298.15 6000.00 Nb.75Nb.25 sgte_sol 298.15 4000.00 NbNb sgte_sol 298.15 6000.00 Nb2Nb sgte_sol 298.15 4000.00 Nb3Nb sgte_sol 298.15 3000.00 Nb7Nb6 sgte_sol 298.15 6000.00 Nb3Nb sgte_sol 298.15 6000.00 Nb.533Nb.333Nb.134 sgte_sol 298.15 4000.00 TEMPERATURE : 1000.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1751.213 1.076352 36.40467 8.325701 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 97.80000 0.1000000 2.000000 0.1000000 Stage 1* only requested *** MULTIPHASE - Stage 1* Results *** Temperature = 1000.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -3.986908E+04 8.269997E-03 1.751213E+03 9.780000E+01 Nb -1.015953E+05 4.935593E-06 1.076352E+00 1.000000E-01 Mn -6.658343E+04 3.327563E-04 3.640467E+01 2.000000E+00 C -2.548692E+04 4.663731E-02 8.325701E+00 1.000000E-01 Total 1.797020E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe Nb Mn 7.8260E+00 CUB_A13 0.8051321 0.0000000 0.1946033 1.8355E+00 M23C6 0.6867477 0.0000000 0.2598992 9.0118E+01 FESB 1.0000000 0.0000000 0.0000000 2.2022E-01 LAVES_PHASE 0.5459129 0.4540871 0.0000000 C 7.8260E+00 CUB_A13 0.0002646 1.8355E+00 M23C6 0.0533530 9.0118E+01 FESB 0.0000000 2.2022E-01 LAVES_PHASE 0.0000000 Gibbs Energy = -7.2564839912E+07 J System Enthalpy = 4.7488331580E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL 1 DIAMOND_A4 ABSENT PURE SUBSTANCE 2 GRAPHITE ABSENT PURE SUBSTANCE 5 CBCC_A12 ABSENT SUBLATTICE 7 CUB_A13 ABSENT SUBLATTICE 8 FCC_A1 1 M-G SUBLATTICE 10 FECN_CHI ABSENT PURE SUBSTANCE 12 KSI_CARBIDE ABSENT PURE SUBSTANCE 13 M3C2 ABSENT SUBLATTICE 14 M5C2 ABSENT SUBLATTICE 15 M7C3 ABSENT SUBLATTICE 16 V3C2 ABSENT SUBLATTICE 19 M23C6 ABSENT SUBLATTICE 20 AL5FE4 ABSENT REDLICH-KISTER 21 ORTHORHOMBIC_A20 ABSENT PURE SUBSTANCE 22 TETRAGONAL_U ABSENT PURE SUBSTANCE 23 FE2U ABSENT PURE SUBSTANCE 24 FESB ABSENT PURE SUBSTANCE 25 FEU6 ABSENT PURE SUBSTANCE 26 FEUZR_DELTA ABSENT PURE SUBSTANCE 27 FEZN4 ABSENT PURE SUBSTANCE 28 FEZN_DELTA ABSENT PURE SUBSTANCE 29 FEZN_GAMMA_D82 ABSENT PURE SUBSTANCE 30 FEZN_ZETA ABSENT PURE SUBSTANCE 31 FEZR2 ABSENT PURE SUBSTANCE 32 FEZR3 ABSENT PURE SUBSTANCE 35 LAVES_PHASE ABSENT PURE SUBSTANCE 36 MU_PHASE ABSENT SUBLATTICE 37 MN2ZR ABSENT PURE SUBSTANCE 38 AL3NB ABSENT PURE SUBSTANCE 39 ALM_D019 ABSENT PURE SUBSTANCE 40 ALNB3 ABSENT PURE SUBSTANCE 41 ALTI ABSENT PURE SUBSTANCE 42 CONB_LAMBDA ABSENT PURE SUBSTANCE 43 NB3SN_C15 ABSENT PURE SUBSTANCE 44 NBNI_MU ABSENT PURE SUBSTANCE 45 NI3NB ABSENT PURE SUBSTANCE 46 ALNB2 ABSENT PURE SUBSTANCE NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1000.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1751.213 1.076352 36.40467 8.325701 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 97.80000 0.1000000 2.000000 0.1000000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1000.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -4.213853E+04 6.294551E-03 1.751213E+03 9.780000E+01 Nb -1.586599E+05 5.160166E-09 1.076352E+00 1.000000E-01 Mn -8.338898E+04 4.408762E-05 3.640467E+01 2.000000E+00 C -3.228795E+04 2.058225E-02 8.325701E+00 1.000000E-01 Total 1.797020E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe Nb Mn 9.9887E+01 FCC_A1 0.9791035 0.0000011 0.0200224 1.1271E-01 FCC_A1 0.0000388 0.8863135 0.0001126 C 9.9887E+01 FCC_A1 0.0008730 1.1271E-01 FCC_A1 0.1135352 Gibbs Energy = -7.7269338999E+07 J System Enthalpy = 5.0819345940E+07 J