Fe–S phases

9 phases (tier A 3, liquid 2, needs_review 4); 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 · Fe–S system page · Markdown · field reference

Phases of the Fe–S system (9)
Phase	Structure	Basis	Stability (calculated)	TDB models
BCC_A2 phase:fe-s:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1837.15 K, x(S) 0–0.00207	4
FCC_A1 phase:fe-s:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 1167.53–1674.43 K, x(S) 0–0.00108	4
FES phase:fe-s:fes		needs_review	stable in 4 of 4 calculated diagram(s): 300–1461.08 K, x(S) 0.5–0.55135	4
FES2 phase:fe-s:fes2		needs_review	stable in 4 of 4 calculated diagram(s): 300–1016.08 K, x(S) 0.66667–0.66667	4
HCP_A3 phase:fe-s:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 4 calculated diagram(s)	4
ION phase:fe-s:ion	liquid	liquid	stable in 4 of 4 calculated diagram(s): 388.35–2500 K, x(S) 0–1	4
LIQUID phase:fe-s:liquid	liquid	liquid	stable in 2 of 4 calculated diagram(s): 406.89–2500 K, x(S) 0–1	4
MONOCLINIC_S phase:fe-s:s-monoclinic		needs_review	stable in 4 of 4 calculated diagram(s): 368.3–406.89 K, x(S) 1–1	4
ORTHORHOMBIC_S phase:fe-s:s-orthorhombic		needs_review	stable in 4 of 4 calculated diagram(s): 300–368.33 K, x(S) 1–1	4

BCC_A2 (Fe–S)

Id: phase:fe-s: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 4 of 4 calculated diagram(s): 300–1837.15 K, x(S) 0–0.00207
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:bcc-a2
tdb: tdb:FeS-07Lee.tdb:BCC_A2, tdb:FeS-81Fer.tdb:BCC_A2, tdb:FeS-92Sun-LB.tdb:BCC_A2, tdb:FeS-92Sun-newS.tdb:BCC_A2

TDB models of BCC_A2 (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: BCC_A2, type code %B, sha256 32e151f596ad0bb2…

49: PHASE BCC_A2 %B 2 1 3 !
50: CONST BCC_A2 : FE% S : VA : !

FeS-81Fer.tdb: BCC_A2, type code %B, sha256 d7057d101d1e0124…

50: PHASE BCC_A2 %B 2 1 3 !
51: CONST BCC_A2 : FE% S : VA : !

FeS-92Sun-LB.tdb: BCC_A2, type code %B, sha256 ec87bc1d4573e3cc…

42: PHASE BCC_A2 %B 2 1 3 !
43: CONST BCC_A2 : FE% S : VA : !

FeS-92Sun-newS.tdb: BCC_A2, type code %B, sha256 716d81dd825b248d…

46: PHASE BCC_A2 %B 2 1 3 !
47: CONST BCC_A2 : FE% S : VA : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

FCC_A1 (Fe–S)

Id: phase:fe-s: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 4 of 4 calculated diagram(s): 1167.53–1674.43 K, x(S) 0–0.00108
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:fcc-a1
tdb: tdb:FeS-07Lee.tdb:FCC_A1, tdb:FeS-81Fer.tdb:FCC_A1, tdb:FeS-92Sun-LB.tdb:FCC_A1, tdb:FeS-92Sun-newS.tdb:FCC_A1

TDB models of FCC_A1 (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: FCC_A1, type code %A, sha256 32e151f596ad0bb2…

44: PHASE FCC_A1 %A 2 1 1 !
45: CONST FCC_A1 : FE% S : VA : !

FeS-81Fer.tdb: FCC_A1, type code %A, sha256 d7057d101d1e0124…

45: PHASE FCC_A1 %A 2 1 1 !
46: CONST FCC_A1 : FE% S : VA : !

FeS-92Sun-LB.tdb: FCC_A1, type code %A, sha256 ec87bc1d4573e3cc…

37: PHASE FCC_A1 %A 2 1 1 !
38: CONST FCC_A1 : FE% S : VA : !

FeS-92Sun-newS.tdb: FCC_A1, type code %A, sha256 716d81dd825b248d…

41: PHASE FCC_A1 %A 2 1 1 !
42: CONST FCC_A1 : FE% S : VA : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

FES (Fe–S)

Id: phase:fe-s:fes; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model; sgte_mmc2_rows_disagree
Candidate (dft_mp): P4/nmm (129) — on-hull MP FeS at x(S)=0.5000
Candidate (dft_oqmd): Cmca (64) — on-hull OQMD Fe1 S1 at x(S)=0.5000
Candidate (sgte_mmc2): alpha-FeS · hP24 · P-62c (190) — Hallstedt 2025 mmc2 row for FES: FeS (alpha)
Candidate (sgte_mmc2): NiAs · B8_1 · hP4 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for FES: FeS (gamma, pyrrhotite)
Candidate (sgte_mmc2): NbS · hP16 · P6_3mc (186) — Hallstedt 2025 mmc2 row for FES: FeS (beta)
Candidate (tdb_comment): FeS · hP24 · P-62c — FeS-07Lee.tdb: 'Prototype FeS (hP24, P-62c), alpha'
Candidate (tdb_comment): NbS · hP16 · P6_3mc — FeS-07Lee.tdb: 'Prototype NbS (hP16, P6_3mc), beta'
Candidate (tdb_comment): NiAs · hP4 · P6_3/mmc — FeS-07Lee.tdb: 'Prototype NiAs (hP4, P6_3/mmc), B8_1, gamma (pyrrhotite)'
Stability: stable in 4 of 4 calculated diagram(s): 300–1461.08 K, x(S) 0.5–0.55135
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:fes
tdb: tdb:FeS-07Lee.tdb:FES, tdb:FeS-81Fer.tdb:FES, tdb:FeS-92Sun-LB.tdb:FES, tdb:FeS-92Sun-newS.tdb:FES

TDB models of FES (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: FES, type code %, sha256 32e151f596ad0bb2…

71: PHASE FES % 2 1 1 !
72: CONST FES : FE VA : S : !

FeS-81Fer.tdb: FES, type code %, sha256 d7057d101d1e0124…

72: PHASE FES % 2 1 1 !
73: CONST FES : FE VA : S : !

FeS-92Sun-LB.tdb: FES, type code %, sha256 ec87bc1d4573e3cc…

64: PHASE FES % 2 1 1 !
65: CONST FES : FE VA : S : !

FeS-92Sun-newS.tdb: FES, type code %, sha256 716d81dd825b248d…

68: PHASE FES % 2 1 1 !
69: CONST FES : FE VA : S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

FES2 (Fe–S)

Id: phase:fe-s:fes2; status needs_review
No structure assigned. Why: dft_space_group_58_matches_3_structure_types; no_structure_token; sgte_mmc2_row_disagrees_with_dft; sgte_mmc2_rows_disagree
Candidate (dft_mp): Pnnm (58) — on-hull MP FeS2 at x(S)=0.6667
Candidate (dft_oqmd): Pnnm (58) — on-hull OQMD Fe1 S2 at x(S)=0.6667
Candidate (dft_space_group_and_stoichiometry): alpha-FeS2 · C18 · oP6 · Pnnm (58) — space group 58 and stoichiometry match
Candidate (dft_space_group_and_stoichiometry): CaCl2 · (C35) · oP6 · Pnnm (58) — space group 58 and stoichiometry match
Candidate (dft_space_group_and_stoichiometry): FeAs2 · oP6 · Pnnm (58) — space group 58 and stoichiometry match
Candidate (sgte_mmc2): alpha-FeS2 · C18 · oP6 · Pnnm (58) — Hallstedt 2025 mmc2 row for FES2: FeS2 (alpha, marcasite)
Candidate (sgte_mmc2): beta-FeS2 · C2 · cP12 · Pa-3 (205) — Hallstedt 2025 mmc2 row for FES2: FeS2 (beta, pyrite)
Candidate (tdb_comment): alpha-FeS2 · oP6 · Pnnm — FeS-07Lee.tdb: 'Prototype alpha-FeS2 (oP6, Pnnm), C18, alpha (marcasite)'
Stoichiometry: Fe 0.3333, S 0.6667
Stability: stable in 4 of 4 calculated diagram(s): 300–1016.08 K, x(S) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:fes2
tdb: tdb:FeS-07Lee.tdb:FES2, tdb:FeS-81Fer.tdb:FES2, tdb:FeS-92Sun-LB.tdb:FES2, tdb:FeS-92Sun-newS.tdb:FES2

TDB models of FES2 (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: FES2, type code %, sha256 32e151f596ad0bb2…

77: PHASE FES2 % 2 1 2 !
78: CONST FES2 : FE : S : !

FeS-81Fer.tdb: FES2, type code %, sha256 d7057d101d1e0124…

78: PHASE FES2 % 2 1 2 !
79: CONST FES2 : FE : S : !

FeS-92Sun-LB.tdb: FES2, type code %, sha256 ec87bc1d4573e3cc…

70: PHASE FES2 % 2 1 2 !
71: CONST FES2 : FE : S : !

FeS-92Sun-newS.tdb: FES2, type code %, sha256 716d81dd825b248d…

74: PHASE FES2 % 2 1 2 !
75: CONST FES2 : FE : S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

HCP_A3 (Fe–S)

Id: phase:fe-s: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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:hcp-a3
tdb: tdb:FeS-07Lee.tdb:HCP_A3, tdb:FeS-81Fer.tdb:HCP_A3, tdb:FeS-92Sun-LB.tdb:HCP_A3, tdb:FeS-92Sun-newS.tdb:HCP_A3

TDB models of HCP_A3 (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: HCP_A3, type code %A, sha256 32e151f596ad0bb2…

54: PHASE HCP_A3 %A 2 1 0.5 !
55: CONST HCP_A3 : FE : VA : !

FeS-81Fer.tdb: HCP_A3, type code %A, sha256 d7057d101d1e0124…

55: PHASE HCP_A3 %A 2 1 0.5 !
56: CONST HCP_A3 : FE : VA : !

FeS-92Sun-LB.tdb: HCP_A3, type code %A, sha256 ec87bc1d4573e3cc…

47: PHASE HCP_A3 %A 2 1 0.5 !
48: CONST HCP_A3 : FE S : VA : !

FeS-92Sun-newS.tdb: HCP_A3, type code %A, sha256 716d81dd825b248d…

51: PHASE HCP_A3 %A 2 1 0.5 !
52: CONST HCP_A3 : FE S : VA : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

ION (Fe–S)

Id: phase:fe-s:ion; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 388.35–2500 K, x(S) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:ion
tdb: tdb:FeS-07Lee.tdb:ION, tdb:FeS-81Fer.tdb:ION, tdb:FeS-92Sun-LB.tdb:ION, tdb:FeS-92Sun-newS.tdb:ION

TDB models of ION (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: ION, type code %, sha256 32e151f596ad0bb2…

36: PHASE ION:Y % 2 1 1 !
37: CONST ION:Y : FE+2 : S-2 VA S : !

FeS-81Fer.tdb: ION, type code %, sha256 d7057d101d1e0124…

37: PHASE ION:Y % 2 1 1 !
38: CONST ION:Y : FE+2 : S-2 VA S : !

FeS-92Sun-LB.tdb: ION, type code %, sha256 ec87bc1d4573e3cc…

29: PHASE ION:Y % 2 1 1 !
30: CONST ION:Y : FE+2 : S-2 VA S : !

FeS-92Sun-newS.tdb: ION, type code %, sha256 716d81dd825b248d…

33: PHASE ION:Y % 2 1 1 !
34: CONST ION:Y : FE+2 : S-2 VA S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

LIQUID (Fe–S)

Id: phase:fe-s:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 4 calculated diagram(s): 406.89–2500 K, x(S) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:liquid
tdb: tdb:FeS-07Lee.tdb:LIQUID, tdb:FeS-81Fer.tdb:LIQUID, tdb:FeS-92Sun-LB.tdb:LIQUID, tdb:FeS-92Sun-newS.tdb:LIQUID

TDB models of LIQUID (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: LIQUID, type code %, sha256 32e151f596ad0bb2…

39: PHASE LIQUID:L % 1 1 !
40: CONST LIQUID:L : FE FES S : !

FeS-81Fer.tdb: LIQUID, type code %, sha256 d7057d101d1e0124…

40: PHASE LIQUID:L % 2 1 1 !
41: CONST LIQUID:L : FE VA : VA S : !

FeS-92Sun-LB.tdb: LIQUID, type code %, sha256 ec87bc1d4573e3cc…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : FE S : !

FeS-92Sun-newS.tdb: LIQUID, type code %, sha256 716d81dd825b248d…

36: PHASE LIQUID:L % 1 1 !
37: CONST LIQUID:L : FE S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

MONOCLINIC_S (Fe–S)

Id: phase:fe-s:s-monoclinic; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:MONOCLINIC; no_structure_token
Candidate (sgte_mmc2): beta-S · mP48 · P2_1/c (14) — Hallstedt 2025 mmc2 row for MONOCLINIC_S: beta-S
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — FeS-07Lee.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — FeS-81Fer.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — FeS-92Sun-LB.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — FeS-92Sun-newS.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 1.0000
Stability: stable in 4 of 4 calculated diagram(s): 368.3–406.89 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:s-monoclinic
tdb: tdb:FeS-07Lee.tdb:MONOCLINIC_S, tdb:FeS-81Fer.tdb:MONOCLINIC_S, tdb:FeS-92Sun-LB.tdb:MONOCLINIC_S, tdb:FeS-92Sun-newS.tdb:MONOCLINIC_S

TDB models of MONOCLINIC_S (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: MONOCLINIC_S, type code %, sha256 32e151f596ad0bb2…

64: PHASE MONOCLINIC_S % 1 1 !
65: CONST MONOCLINIC_S : S : !

FeS-81Fer.tdb: MONOCLINIC_S, type code %, sha256 d7057d101d1e0124…

65: PHASE MONOCLINIC_S % 1 1 !
66: CONST MONOCLINIC_S : S : !

FeS-92Sun-LB.tdb: MONOCLINIC_S, type code %, sha256 ec87bc1d4573e3cc…

57: PHASE MONOCLINIC_S % 1 1 !
58: CONST MONOCLINIC_S : S : !

FeS-92Sun-newS.tdb: MONOCLINIC_S, type code %, sha256 716d81dd825b248d…

61: PHASE MONOCLINIC_S % 1 1 !
62: CONST MONOCLINIC_S : S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
assessment that models this phase

ORTHORHOMBIC_S (Fe–S)

Id: phase:fe-s:s-orthorhombic; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:ORTHORHOMBIC; no_structure_token
Candidate (sgte_mmc2): alpha-S · A16 · oF128 · Fddd (70) — Hallstedt 2025 mmc2 row for ORTHORHOMBIC_S: alpha-S
Candidate (tdb_comment): alpha-S · oF128 · Fddd — FeS-07Lee.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Candidate (tdb_comment): alpha-S · oF128 · Fddd — FeS-81Fer.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Candidate (tdb_comment): alpha-S · oF128 · Fddd — FeS-92Sun-LB.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Candidate (tdb_comment): alpha-S · oF128 · Fddd — FeS-92Sun-newS.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Stoichiometry: S 1.0000
Stability: stable in 4 of 4 calculated diagram(s): 300–368.33 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-s:s-orthorhombic
tdb: tdb:FeS-07Lee.tdb:ORTHORHOMBIC_S, tdb:FeS-81Fer.tdb:ORTHORHOMBIC_S, tdb:FeS-92Sun-LB.tdb:ORTHORHOMBIC_S, tdb:FeS-92Sun-newS.tdb:ORTHORHOMBIC_S

TDB models of ORTHORHOMBIC_S (4): PHASE and CONSTITUENT statements as written

FeS-07Lee.tdb: ORTHORHOMBIC_S, type code %, sha256 32e151f596ad0bb2…

59: PHASE ORTHORHOMBIC_S % 1 1 !
60: CONST ORTHORHOMBIC_S : S : !

FeS-81Fer.tdb: ORTHORHOMBIC_S, type code %, sha256 d7057d101d1e0124…

60: PHASE ORTHORHOMBIC_S % 1 1 !
61: CONST ORTHORHOMBIC_S : S : !

FeS-92Sun-LB.tdb: ORTHORHOMBIC_S, type code %, sha256 ec87bc1d4573e3cc…

52: PHASE ORTHORHOMBIC_S % 1 1 !
53: CONST ORTHORHOMBIC_S : S : !

FeS-92Sun-newS.tdb: ORTHORHOMBIC_S, type code %, sha256 716d81dd825b248d…

56: PHASE ORTHORHOMBIC_S % 1 1 !
57: CONST ORTHORHOMBIC_S : S : !

Example references (2 of 2; assessments first):

doi:10.1007/BF02654144 A. Fernandez Guillermet, M. Hillert, B. Jansson, B. Sundman, Metall. Trans. B, 12B, 745-54(1981).
assessment that models this phase
doi:10.2355/isijinternational.47.163 Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007).
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}
}