C–Fe phases

12 phases (tier A 6, tier C 1, liquid 1, needs_review 2, unresolved_no_candidates 2); 8 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: interactive registry · full JSON · C–Fe system page · Markdown · field reference

Phases of the C–Fe system (12)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:c-fe:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	not stable in 9 calculated diagram(s)	0	9
GRAPHITE_A9 phase:c-fe:a9-graphite	C (graphite) · A9 · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 9 of 9 calculated diagram(s): 300–2500 K, x(C) 1–1	0	9
BCC_A2 phase:c-fe:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 9 of 9 calculated diagram(s): 300–2499.69 K, x(C) 0–0.00626	4	9
BCC_ALT phase:c-fe:bcc-alt		needs_review	stable in 1 of 1 calculated diagram(s): 300.82–2345.95 K, x(C) 0–0.00308	0	1
BCT_Z1 phase:c-fe:bct-z1		unresolved_no_candidates	stable in 1 of 1 calculated diagram(s): 300–1800 K, x(C) 0.5–0.5	0	1
BCT_Z2 phase:c-fe:bct-z2		unresolved_no_candidates	stable in 1 of 1 calculated diagram(s): 300.4–2499.12 K, x(C) 0–0.00626	0	1
CEMENTITE_D011 phase:c-fe:cementite-d011	Fe3C · D0_11 · oP16 · Pnma (62)	tier A: standard phase name	stable in 2 of 9 calculated diagram(s): 1010–1416.1 K, x(C) 0.25–0.25	0	9
M2C_ETA phase:c-fe:eta-m2c		needs_review	not stable in 1 calculated diagram(s)	0	1
FCC_A1 phase:c-fe:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 9 of 9 calculated diagram(s): 1009.04–1768.83 K, x(C) 0–0.08879	3	9
HCP_A3 phase:c-fe:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 8 calculated diagram(s)	0	8
LIQUID phase:c-fe:liquid	liquid	liquid	stable in 9 of 9 calculated diagram(s): 1415.24–2500 K, x(C) 0–0.27456	5	9
M5C2 phase:c-fe:m5c2	Mn5C2 · mC28 · C2/c (15)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	not stable in 1 calculated diagram(s)	0	1

DIAMOND_A4 (C–Fe)

Id: phase:c-fe:a4-diamond; status assigned
Structure: C (diamond) · A4 · cF8 · Fd-3m (227); type st:a4-c-diamond-cf8; tier A: standard phase name; confidence high
Stoichiometry: C 1.0000
Stability: not stable in 9 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:c-fe:a4-diamond
tdb: tdb:FeC-10Hal.tdb:DIAMOND_A4, tdb:FeC-14Nar-3g.tdb:DIAMOND_A4, tdb:FeC-16Goh.tdb:DIAMOND_A4, tdb:FeC-19Che.tdb:DIAMOND_A4, tdb:FeC-19Mie.tdb:DIAMOND_A4, tdb:FeC-20Sae.tdb:DIAMOND_A4, tdb:FeC-23Jac.tdb:DIAMOND_A4, tdb:FeC-24Eno.tdb:DIAMOND_A4, tdb:FeC-85Gus-LB.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: DIAMOND_A4, type code %, sha256 7b87dfe21503206d…

72: PHASE DIAMOND_A4 % 1 1 !
73: CONST DIAMOND_A4 : C : !

FeC-14Nar-3g.tdb: DIAMOND_A4, type code %, sha256 2ac51900c8c0ad3b…

56: PHASE DIAMOND_A4 % 1 1 !
57: CONST DIAMOND_A4 : C : !

FeC-16Goh.tdb: DIAMOND_A4, type code %, sha256 f7f205bbf9b6e594…

47: PHASE DIAMOND_A4 % 1 1 !
48: CONST DIAMOND_A4 : C : !

FeC-19Che.tdb: DIAMOND_A4, type code %, sha256 fe32281d077aba24…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : C : !

FeC-19Mie.tdb: DIAMOND_A4, type code %, sha256 a128011207de397a…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : C : !

FeC-20Sae.tdb: DIAMOND_A4, type code %, sha256 36e4397833b59ef8…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : C : !

FeC-23Jac.tdb: DIAMOND_A4, type code %, sha256 c7f5cd4fc7acc9e5…

45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : C : !

FeC-24Eno.tdb: DIAMOND_A4, type code %, sha256 6287b7852f6f5d4b…

46: PHASE DIAMOND_A4 % 1 1 !
47: CONST DIAMOND_A4 : C : !

FeC-85Gus-LB.tdb: DIAMOND_A4, type code %, sha256 9997883ee0500523…

44: PHASE DIAMOND_A4 % 1 1 !
45: CONST DIAMOND_A4 : C : !

Example references (7 of 7; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase

GRAPHITE_A9 (C–Fe)

Id: phase:c-fe:a9-graphite; status assigned
Structure: C (graphite) · A9 · hP4 · P6_3/mmc (194); type st:a9-c-graphite-hp4; tier A: standard phase name; confidence high
Stoichiometry: C 1.0000
Stability: stable in 9 of 9 calculated diagram(s): 300–2500 K, x(C) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:c-fe:a9-graphite
tdb: tdb:FeC-10Hal.tdb:GRAPHITE_A9, tdb:FeC-14Nar-3g.tdb:GRAPHITE_A9, tdb:FeC-16Goh.tdb:GRAPHITE_A9, tdb:FeC-19Che.tdb:GRAPHITE_A9, tdb:FeC-19Mie.tdb:GRAPHITE_A9, tdb:FeC-20Sae.tdb:GRAPHITE_A9, tdb:FeC-23Jac.tdb:GRAPHITE_A9, tdb:FeC-24Eno.tdb:GRAPHITE_A9, tdb:FeC-85Gus-LB.tdb:GRAPHITE_A9

TDB models of GRAPHITE_A9 (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: GRAPHITE_A9, type code %, sha256 7b87dfe21503206d…

77: PHASE GRAPHITE_A9 % 1 1 !
78: CONST GRAPHITE_A9 : C : !

FeC-14Nar-3g.tdb: GRAPHITE_A9, type code %, sha256 2ac51900c8c0ad3b…

61: PHASE GRAPHITE_A9 % 1 1 !
62: CONST GRAPHITE_A9 : C : !

FeC-16Goh.tdb: GRAPHITE_A9, type code %, sha256 f7f205bbf9b6e594…

52: PHASE GRAPHITE_A9 % 1 1 !
53: CONST GRAPHITE_A9 : C : !

FeC-19Che.tdb: GRAPHITE_A9, type code %, sha256 fe32281d077aba24…

53: PHASE GRAPHITE_A9 % 1 1 !
54: CONST GRAPHITE_A9 : C : !

FeC-19Mie.tdb: GRAPHITE_A9, type code %, sha256 a128011207de397a…

53: PHASE GRAPHITE_A9 % 1 1 !
54: CONST GRAPHITE_A9 : C : !

FeC-20Sae.tdb: GRAPHITE_A9, type code %, sha256 36e4397833b59ef8…

53: PHASE GRAPHITE_A9 % 1 1 !
54: CONST GRAPHITE_A9 : C : !

FeC-23Jac.tdb: GRAPHITE_A9, type code %, sha256 c7f5cd4fc7acc9e5…

50: PHASE GRAPHITE_A9 % 1 1 !
51: CONST GRAPHITE_A9 : C : !

FeC-24Eno.tdb: GRAPHITE_A9, type code %, sha256 6287b7852f6f5d4b…

51: PHASE GRAPHITE_A9 % 1 1 !
52: CONST GRAPHITE_A9 : C : !

FeC-85Gus-LB.tdb: GRAPHITE_A9, type code %, sha256 9997883ee0500523…

49: PHASE GRAPHITE_A9 % 1 1 !
50: CONST GRAPHITE_A9 : C : !

Example references (7 of 7; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase

BCC_A2 (C–Fe)

Id: phase:c-fe:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 9 of 9 calculated diagram(s): 300–2499.69 K, x(C) 0–0.00626
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:c-fe:bcc-a2
paper: paper:10.1007/bf02649916:α
tdb: tdb:FeC-10Hal.tdb:BCC_A2, tdb:FeC-14Nar-3g.tdb:BCC_A2, tdb:FeC-16Goh.tdb:BCC_A2, tdb:FeC-19Che.tdb:BCC_A2, tdb:FeC-19Mie.tdb:BCC_A2, tdb:FeC-20Sae.tdb:BCC_A2, tdb:FeC-23Jac.tdb:BCC_A2, tdb:FeC-24Eno.tdb:BCC_A2, tdb:FeC-85Gus-LB.tdb:BCC_A2

TDB models of BCC_A2 (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: BCC_A2, type code %B, sha256 7b87dfe21503206d…

57: PHASE BCC_A2 %B 2 1 3 !
58: CONST BCC_A2 : FE : C VA% : !

FeC-14Nar-3g.tdb: BCC_A2, type code %B, sha256 2ac51900c8c0ad3b…

41: PHASE BCC_A2 %B 2 1 3 !
42: CONST BCC_A2 : FE : C VA% : !

FeC-16Goh.tdb: BCC_A2, type code %B, sha256 f7f205bbf9b6e594…

37: PHASE BCC_A2 %B 2 1 3 !
38: CONST BCC_A2 : FE : C VA% : !

FeC-19Che.tdb: BCC_A2, type code %B, sha256 fe32281d077aba24…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : FE : C VA% : !

FeC-19Mie.tdb: BCC_A2, type code %B, sha256 a128011207de397a…

38: PHASE BCC_A2 %B 1 1 !
39: CONST BCC_A2 : FE% C : !

FeC-20Sae.tdb: BCC_A2, type code %B, sha256 36e4397833b59ef8…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : FE : C VA% : !

FeC-23Jac.tdb: BCC_A2, type code %B, sha256 c7f5cd4fc7acc9e5…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : FE : C VA% : !

FeC-24Eno.tdb: BCC_A2, type code %B, sha256 6287b7852f6f5d4b…

36: PHASE BCC_A2 %B 2 1 3 !
37: CONST BCC_A2 : FE : C VA% : !

FeC-85Gus-LB.tdb: BCC_A2, type code %B, sha256 9997883ee0500523…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : FE : C VA% : !

Example references (8 of 8; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase
doi:10.1007/bf02649916 K. C. Hari Kumar, V. Raghavan, A Thermodynamic Analysis of the Al-C-Fe System, JPE 12, 275-286 (1991).
reports values for this phase

BCC_ALT (C–Fe)

Id: phase:c-fe:bcc-alt; status needs_review
No structure assigned. Why: unrecognised_name_tokens:ALT
Candidate (name_token): W · A2 · cI2 · Im-3m (229) — Strukturbericht/word 'A2' in the TDB name
Stability: stable in 1 of 1 calculated diagram(s): 300.82–2345.95 K, x(C) 0–0.00308
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:c-fe:bcc-alt
tdb: tdb:FeC-10Hal.tdb:BCC_ALT

TDB models of BCC_ALT (1): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: BCC_ALT, type code %B, sha256 7b87dfe21503206d…

62: PHASE BCC_ALT %B 2 1 1 !
63: CONST BCC_ALT : FE : C VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase

BCT_Z1 (C–Fe)

Id: phase:c-fe:bct-z1; status unresolved_no_candidates
No structure assigned. Why: name_has_descriptive_tokens:BCT,Z1; no_structure_token
Stability: stable in 1 of 1 calculated diagram(s): 300–1800 K, x(C) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:c-fe:bct-z1
tdb: tdb:FeC-14Nar-3g.tdb:BCT_Z1

TDB models of BCT_Z1 (1): PHASE and CONSTITUENT statements as written

FeC-14Nar-3g.tdb: BCT_Z1, type code %B, sha256 2ac51900c8c0ad3b…

46: PHASE BCT_Z1 %B 3 1 1 2 !
47: CONST BCT_Z1 : FE : C VA% : C VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase

BCT_Z2 (C–Fe)

Id: phase:c-fe:bct-z2; status unresolved_no_candidates
No structure assigned. Why: name_has_descriptive_tokens:BCT,Z2; no_structure_token
Stability: stable in 1 of 1 calculated diagram(s): 300.4–2499.12 K, x(C) 0–0.00626
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:c-fe:bct-z2
tdb: tdb:FeC-14Nar-3g.tdb:BCT_Z2

TDB models of BCT_Z2 (1): PHASE and CONSTITUENT statements as written

FeC-14Nar-3g.tdb: BCT_Z2, type code %B, sha256 2ac51900c8c0ad3b…

51: PHASE BCT_Z2 %B 3 1 0.125 2.875 !
52: CONST BCT_Z2 : FE : C% VA : C VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase

CEMENTITE_D011 (C–Fe)

Id: phase:c-fe:cementite-d011; status assigned
Structure: Fe3C · D0_11 · oP16 · Pnma (62); type st:d0-11-fe3c-op16; tier A: standard phase name; confidence high
Stability: stable in 2 of 9 calculated diagram(s): 1010–1416.1 K, x(C) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:c-fe:cementite-d011
tdb: tdb:FeC-10Hal.tdb:CEMENTITE_D011, tdb:FeC-14Nar-3g.tdb:CEMENTITE_D011, tdb:FeC-16Goh.tdb:CEMENTITE_D011, tdb:FeC-19Che.tdb:CEMENTITE_D011, tdb:FeC-19Mie.tdb:CEMENTITE_D011, tdb:FeC-20Sae.tdb:CEMENTITE_D011, tdb:FeC-23Jac.tdb:CEMENTITE_D011, tdb:FeC-24Eno.tdb:CEMENTITE_D011, tdb:FeC-85Gus-LB.tdb:CEMENTITE_D011

TDB models of CEMENTITE_D011 (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: CEMENTITE_D011, type code %A, sha256 7b87dfe21503206d…

82: PHASE CEMENTITE_D011 %A 2 3 1 !
83: CONST CEMENTITE_D011 : FE : C : !

FeC-14Nar-3g.tdb: CEMENTITE_D011, type code %A, sha256 2ac51900c8c0ad3b…

66: PHASE CEMENTITE_D011 %A 2 3 1 !
67: CONST CEMENTITE_D011 : FE : C : !

FeC-16Goh.tdb: CEMENTITE_D011, type code %A, sha256 f7f205bbf9b6e594…

57: PHASE CEMENTITE_D011 %A 2 3 1 !
58: CONST CEMENTITE_D011 : FE : C VA : !

FeC-19Che.tdb: CEMENTITE_D011, type code %A, sha256 fe32281d077aba24…

58: PHASE CEMENTITE_D011 %A 2 3 1 !
59: CONST CEMENTITE_D011 : FE : C VA : !

FeC-19Mie.tdb: CEMENTITE_D011, type code %, sha256 a128011207de397a…

58: PHASE CEMENTITE_D011 % 2 3 1 !
59: CONST CEMENTITE_D011 : FE : C : !

FeC-20Sae.tdb: CEMENTITE_D011, type code %, sha256 36e4397833b59ef8…

58: PHASE CEMENTITE_D011 % 2 3 1 !
59: CONST CEMENTITE_D011 : FE : C : !

FeC-23Jac.tdb: CEMENTITE_D011, type code %, sha256 c7f5cd4fc7acc9e5…

55: PHASE CEMENTITE_D011 % 2 3 1 !
56: CONST CEMENTITE_D011 : FE : C : !

FeC-24Eno.tdb: CEMENTITE_D011, type code %A, sha256 6287b7852f6f5d4b…

56: PHASE CEMENTITE_D011 %A 2 3 1 !
57: CONST CEMENTITE_D011 : FE : C : !

FeC-85Gus-LB.tdb: CEMENTITE_D011, type code %, sha256 9997883ee0500523…

54: PHASE CEMENTITE_D011 % 2 3 1 !
55: CONST CEMENTITE_D011 : FE : C : !

Example references (7 of 7; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase

M2C_ETA (C–Fe)

Id: phase:c-fe:eta-m2c; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:M2C; no_structure_token
Candidate (tdb_comment): Fe2C-eta · oP6 · Pnnm — FeC-14Nar-3g.tdb: 'Prototype Fe2C-eta (oP6, Pnnm)'
Stoichiometry: C 0.3333, Fe 0.6667
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:c-fe:eta-m2c
tdb: tdb:FeC-14Nar-3g.tdb:M2C_ETA

TDB models of M2C_ETA (1): PHASE and CONSTITUENT statements as written

FeC-14Nar-3g.tdb: M2C_ETA, type code %A, sha256 2ac51900c8c0ad3b…

76: PHASE M2C_ETA %A 2 2 1 !
77: CONST M2C_ETA : FE : C : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase

FCC_A1 (C–Fe)

Id: phase:c-fe:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: stable in 9 of 9 calculated diagram(s): 1009.04–1768.83 K, x(C) 0–0.08879
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:c-fe:fcc-a1
paper: paper:10.1007/bf02649916:γ
tdb: tdb:FeC-10Hal.tdb:FCC_A1, tdb:FeC-14Nar-3g.tdb:FCC_A1, tdb:FeC-16Goh.tdb:FCC_A1, tdb:FeC-19Che.tdb:FCC_A1, tdb:FeC-19Mie.tdb:FCC_A1, tdb:FeC-20Sae.tdb:FCC_A1, tdb:FeC-23Jac.tdb:FCC_A1, tdb:FeC-24Eno.tdb:FCC_A1, tdb:FeC-85Gus-LB.tdb:FCC_A1

TDB models of FCC_A1 (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: FCC_A1, type code %A, sha256 7b87dfe21503206d…

52: PHASE FCC_A1 %A 2 1 1 !
53: CONST FCC_A1 : FE : C VA% : !

FeC-14Nar-3g.tdb: FCC_A1, type code %A, sha256 2ac51900c8c0ad3b…

36: PHASE FCC_A1 %A 2 1 1 !
37: CONST FCC_A1 : FE : C VA% : !

FeC-16Goh.tdb: FCC_A1, type code %A, sha256 f7f205bbf9b6e594…

32: PHASE FCC_A1 %A 2 1 1 !
33: CONST FCC_A1 : FE : C VA% : !

FeC-19Che.tdb: FCC_A1, type code %A, sha256 fe32281d077aba24…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : FE : C VA% : !

FeC-19Mie.tdb: FCC_A1, type code %A, sha256 a128011207de397a…

33: PHASE FCC_A1 %A 1 1 !
34: CONST FCC_A1 : FE% C : !

FeC-20Sae.tdb: FCC_A1, type code %A, sha256 36e4397833b59ef8…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : FE : C VA% : !

FeC-23Jac.tdb: FCC_A1, type code %A, sha256 c7f5cd4fc7acc9e5…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : FE : C VA% : !

FeC-24Eno.tdb: FCC_A1, type code %A, sha256 6287b7852f6f5d4b…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : FE : C VA% : !

FeC-85Gus-LB.tdb: FCC_A1, type code %A, sha256 9997883ee0500523…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : FE : C VA% : !

Example references (8 of 8; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase
doi:10.1007/bf02649916 K. C. Hari Kumar, V. Raghavan, A Thermodynamic Analysis of the Al-C-Fe System, JPE 12, 275-286 (1991).
reports values for this phase

HCP_A3 (C–Fe)

Id: phase:c-fe:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: not stable in 8 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:c-fe:hcp-a3
tdb: tdb:FeC-10Hal.tdb:HCP_A3, tdb:FeC-16Goh.tdb:HCP_A3, tdb:FeC-19Che.tdb:HCP_A3, tdb:FeC-19Mie.tdb:HCP_A3, tdb:FeC-20Sae.tdb:HCP_A3, tdb:FeC-23Jac.tdb:HCP_A3, tdb:FeC-24Eno.tdb:HCP_A3, tdb:FeC-85Gus-LB.tdb:HCP_A3

TDB models of HCP_A3 (8): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: HCP_A3, type code %, sha256 7b87dfe21503206d…

67: PHASE HCP_A3 % 2 1 0.5 !
68: CONST HCP_A3 : FE : C VA% : !

FeC-16Goh.tdb: HCP_A3, type code %, sha256 f7f205bbf9b6e594…

42: PHASE HCP_A3 % 2 1 0.5 !
43: CONST HCP_A3 : FE : C VA% : !

FeC-19Che.tdb: HCP_A3, type code %, sha256 fe32281d077aba24…

43: PHASE HCP_A3 % 2 1 0.5 !
44: CONST HCP_A3 : FE : C VA% : !

FeC-19Mie.tdb: HCP_A3, type code %, sha256 a128011207de397a…

43: PHASE HCP_A3 % 2 1 0.5 !
44: CONST HCP_A3 : FE : C VA% : !

FeC-20Sae.tdb: HCP_A3, type code %, sha256 36e4397833b59ef8…

43: PHASE HCP_A3 % 2 1 0.5 !
44: CONST HCP_A3 : FE : C VA% : !

FeC-23Jac.tdb: HCP_A3, type code %, sha256 c7f5cd4fc7acc9e5…

40: PHASE HCP_A3 % 2 1 0.5 !
41: CONST HCP_A3 : FE : C VA% : !

FeC-24Eno.tdb: HCP_A3, type code %, sha256 6287b7852f6f5d4b…

41: PHASE HCP_A3 % 2 1 0.5 !
42: CONST HCP_A3 : FE : C VA% : !

FeC-85Gus-LB.tdb: HCP_A3, type code %, sha256 9997883ee0500523…

39: PHASE HCP_A3 % 2 1 0.5 !
40: CONST HCP_A3 : FE : C VA% : !

Example references (6 of 6; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase

LIQUID (C–Fe)

Id: phase:c-fe:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 9 of 9 calculated diagram(s): 1415.24–2500 K, x(C) 0–0.27456
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:c-fe:liquid
paper: paper:10.1007/bf02649916:L
tdb: tdb:FeC-10Hal.tdb:LIQUID, tdb:FeC-14Nar-3g.tdb:LIQUID, tdb:FeC-16Goh.tdb:LIQUID, tdb:FeC-19Che.tdb:LIQUID, tdb:FeC-19Mie.tdb:LIQUID, tdb:FeC-20Sae.tdb:LIQUID, tdb:FeC-23Jac.tdb:LIQUID, tdb:FeC-24Eno.tdb:LIQUID, tdb:FeC-85Gus-LB.tdb:LIQUID

TDB models of LIQUID (9): PHASE and CONSTITUENT statements as written

FeC-10Hal.tdb: LIQUID, type code %, sha256 7b87dfe21503206d…

47: PHASE LIQUID:L % 1 1 !
48: CONST LIQUID:L : C FE : !

FeC-14Nar-3g.tdb: LIQUID, type code %, sha256 2ac51900c8c0ad3b…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : C FE : !

FeC-16Goh.tdb: LIQUID, type code %, sha256 f7f205bbf9b6e594…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : C FE : !

FeC-19Che.tdb: LIQUID, type code %, sha256 fe32281d077aba24…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : C FE : !

FeC-19Mie.tdb: LIQUID, type code %, sha256 a128011207de397a…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : C FE : !

FeC-20Sae.tdb: LIQUID, type code %, sha256 36e4397833b59ef8…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : C FE : !

FeC-23Jac.tdb: LIQUID, type code %, sha256 c7f5cd4fc7acc9e5…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : C FE : !

FeC-24Eno.tdb: LIQUID, type code %, sha256 6287b7852f6f5d4b…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : C FE : !

FeC-85Gus-LB.tdb: LIQUID, type code %, sha256 9997883ee0500523…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : C FE : !

Example references (8 of 8; assessments first):

doi:10.1007/s11669-024-01162-3 Masanori Enoki, Kota Takahashi, Hiroshi Ohtani, Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C, J. Phase Equilib. Diffus. 45, 1244-1259 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2010.01.004 Bengt Hallstedt, Dejan Djurovic, Jörg von Appen, Richard Dronskowski, Alexey Dick, Fritz Körmann et al., Thermodynamic properties of cementite (), Calphad 34, 129-133 (2010).
assessment that models this phase
doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.014 H. Göhring, A. Leineweber, E.J. Mittemeijer, A thermodynamic model for non-stoichiometric cementite; the Fe–C phase diagram, Calphad 52, 38-46 (2016).
assessment that models this phase
doi:10.1016/j.calphad.2018.12.001 L. Chen, Z. Zhang, Y. Huang, J. Cui, Z. Deng, H. Zou, K. Chang, Calphad, 64, 225-35(2019).
assessment that models this phase
doi:10.1016/j.calphad.2023.102531 A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023).
assessment that models this phase
doi:10.2355/isijinternational.ISIJINT-2019-274 M. Saeki, T. Yamashita, H. Ohtani, ISIJ Int., 60, 745-55(2020).
assessment that models this phase
doi:10.1007/bf02649916 K. C. Hari Kumar, V. Raghavan, A Thermodynamic Analysis of the Al-C-Fe System, JPE 12, 275-286 (1991).
reports values for this phase

M5C2 (C–Fe)

Id: phase:c-fe:m5c2; status assigned
Structure: Mn5C2 · mC28 · C2/c (15); type st:mn5c2-mc28; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (name_has_descriptive_tokens:M5C2, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: C 0.2857, Fe 0.7143
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:c-fe:m5c2
tdb: tdb:FeC-14Nar-3g.tdb:M5C2

TDB models of M5C2 (1): PHASE and CONSTITUENT statements as written

FeC-14Nar-3g.tdb: M5C2, type code %A, sha256 2ac51900c8c0ad3b…

71: PHASE M5C2 %A 2 5 2 !
72: CONST M5C2 : FE : C : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.03.004 Reza Naraghi, Malin Selleby, John Ågren, Thermodynamics of stable and metastable structures in Fe–C system, Calphad 46, 148-158 (2014).
assessment that models this phase

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735970
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}