Mn–S phases

11 phases (tier A 7, liquid 2, needs_review 2); 9 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 · Mn–S system page · Markdown · field reference

Phases of the Mn–S system (11)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:mn-s:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 1411.01–1675.2 K, x(S) 0–0.00156	0	3
CBCC_A12 phase:mn-s:cbcc-a12	alpha-Mn · A12 · cI58 · I-43m (217)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–980 K, x(S) 0–0	0	3
CUB_A13 phase:mn-s:cub-a13	beta-Mn · A13 · cP20 · P4_132 (213)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 980–1435.61 K, x(S) 0–0	0	3
FCC_A1 phase:mn-s:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 1349.36–1435.61 K, x(S) 0–0.00158	0	3
HCP_A3 phase:mn-s:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 3 calculated diagram(s)	0	3
ION phase:mn-s:ion	liquid	liquid	stable in 1 of 1 calculated diagram(s): 384.34–2500 K, x(S) 0–1	0	1
LIQUID phase:mn-s:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 1516.45–2500 K, x(S) 0–0.5	1	2
MNS_B1 phase:mn-s:mns-b1	NaCl · B1 · cF8 · Fm-3m (225)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–2499.3 K, x(S) 0.5–0.5	0	3
MNS2_C2 phase:mn-s:mns2-c2	beta-FeS2 · C2 · cP12 · Pa-3 (205)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–567.18 K, x(S) 0.66667–0.66667	0	1
MONOCLINIC_S phase:mn-s:s-monoclinic		needs_review	not stable in 3 calculated diagram(s)	0	3
ORTHORHOMBIC_S phase:mn-s:s-orthorhombic		needs_review	stable in 3 of 3 calculated diagram(s): 300–2500 K, x(S) 1–1	0	3

BCC_A2 (Mn–S)

Id: phase:mn-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 3 of 3 calculated diagram(s): 1411.01–1675.2 K, x(S) 0–0.00156
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:bcc-a2
tdb: tdb:MnS-00Oht.tdb:BCC_A2, tdb:MnS-15Dil.tdb:BCC_A2, tdb:MnS-98Mie.tdb:BCC_A2

TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: BCC_A2, type code %B, sha256 327a611384ae600b…

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

MnS-15Dil.tdb: BCC_A2, type code %B, sha256 1bae6a84eb44ebb4…

39: PHASE BCC_A2 %B 2 1 3 !
40: CONST BCC_A2 : MN : VA : !

MnS-98Mie.tdb: BCC_A2, type code %B, sha256 345407844111fa7d…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : MN% S : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

CBCC_A12 (Mn–S)

Id: phase:mn-s:cbcc-a12; status assigned
Structure: alpha-Mn · A12 · cI58 · I-43m (217); type st:a12-alpha-mn-ci58; tier A: standard phase name; confidence high
Stoichiometry: Mn 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 300–980 K, x(S) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:cbcc-a12
tdb: tdb:MnS-00Oht.tdb:CBCC_A12, tdb:MnS-15Dil.tdb:CBCC_A12, tdb:MnS-98Mie.tdb:CBCC_A12

TDB models of CBCC_A12 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: CBCC_A12, type code %A, sha256 327a611384ae600b…

48: PHASE CBCC_A12 %A 2 1 1 !
49: CONST CBCC_A12 : MN : VA : !

MnS-15Dil.tdb: CBCC_A12, type code %A, sha256 1bae6a84eb44ebb4…

49: PHASE CBCC_A12 %A 2 1 1 !
50: CONST CBCC_A12 : MN : VA : !

MnS-98Mie.tdb: CBCC_A12, type code %A, sha256 345407844111fa7d…

48: PHASE CBCC_A12 %A 2 1 1 !
49: CONST CBCC_A12 : MN : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

CUB_A13 (Mn–S)

Id: phase:mn-s:cub-a13; status assigned
Structure: beta-Mn · A13 · cP20 · P4_132 (213); type st:a13-beta-mn-cp20; tier A: standard phase name; confidence high
Stoichiometry: Mn 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 980–1435.61 K, x(S) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:cub-a13
tdb: tdb:MnS-00Oht.tdb:CUB_A13, tdb:MnS-15Dil.tdb:CUB_A13, tdb:MnS-98Mie.tdb:CUB_A13

TDB models of CUB_A13 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: CUB_A13, type code %, sha256 327a611384ae600b…

53: PHASE CUB_A13 % 2 1 1 !
54: CONST CUB_A13 : MN : VA : !

MnS-15Dil.tdb: CUB_A13, type code %, sha256 1bae6a84eb44ebb4…

54: PHASE CUB_A13 % 2 1 1 !
55: CONST CUB_A13 : MN : VA : !

MnS-98Mie.tdb: CUB_A13, type code %, sha256 345407844111fa7d…

53: PHASE CUB_A13 % 2 1 1 !
54: CONST CUB_A13 : MN : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

FCC_A1 (Mn–S)

Id: phase:mn-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 3 of 3 calculated diagram(s): 1349.36–1435.61 K, x(S) 0–0.00158
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:fcc-a1
tdb: tdb:MnS-00Oht.tdb:FCC_A1, tdb:MnS-15Dil.tdb:FCC_A1, tdb:MnS-98Mie.tdb:FCC_A1

TDB models of FCC_A1 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: FCC_A1, type code %A, sha256 327a611384ae600b…

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

MnS-15Dil.tdb: FCC_A1, type code %A, sha256 1bae6a84eb44ebb4…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : MN : VA : !

MnS-98Mie.tdb: FCC_A1, type code %A, sha256 345407844111fa7d…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : MN% S : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

HCP_A3 (Mn–S)

Id: phase:mn-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
Stoichiometry: Mn 1.0000
Stability: not stable in 3 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:hcp-a3
tdb: tdb:MnS-00Oht.tdb:HCP_A3, tdb:MnS-15Dil.tdb:HCP_A3, tdb:MnS-98Mie.tdb:HCP_A3

TDB models of HCP_A3 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: HCP_A3, type code %A, sha256 327a611384ae600b…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : MN : VA : !

MnS-15Dil.tdb: HCP_A3, type code %A, sha256 1bae6a84eb44ebb4…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : MN : VA : !

MnS-98Mie.tdb: HCP_A3, type code %A, sha256 345407844111fa7d…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : MN : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

ION (Mn–S)

Id: phase:mn-s:ion; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 384.34–2500 K, x(S) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mn-s:ion
tdb: tdb:MnS-15Dil.tdb:ION

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

MnS-15Dil.tdb: ION, type code %, sha256 1bae6a84eb44ebb4…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase

LIQUID (Mn–S)

Id: phase:mn-s:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 1516.45–2500 K, x(S) 0–0.5
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:liquid
paper: paper:10.1016/s0364-5916(98)00027-3:liquid
tdb: tdb:MnS-00Oht.tdb:LIQUID, tdb:MnS-98Mie.tdb:LIQUID

TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: LIQUID, type code %, sha256 327a611384ae600b…

28: PHASE LIQUID:L % 2 1 1 !
29: CONST LIQUID:L : MN : S VA : !

MnS-98Mie.tdb: LIQUID, type code %, sha256 345407844111fa7d…

28: PHASE LIQUID:L % 2 1 1 !
29: CONST LIQUID:L : MN : S VA : !

Example references (2 of 2; assessments first):

doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase; reports values for this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

MNS_B1 (Mn–S)

Id: phase:mn-s:mns-b1; status assigned
Structure: NaCl · B1 · cF8 · Fm-3m (225); type st:b1-nacl-cf8; tier A: standard phase name; confidence high
Stoichiometry: Mn 0.5000, S 0.5000
Stability: stable in 3 of 3 calculated diagram(s): 300–2499.3 K, x(S) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:mns-b1
tdb: tdb:MnS-00Oht.tdb:MNS_B1, tdb:MnS-15Dil.tdb:MNS_B1, tdb:MnS-98Mie.tdb:MNS_B1

TDB models of MNS_B1 (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: MNS_B1, type code %, sha256 327a611384ae600b…

68: PHASE MNS_B1 % 2 1 1 !
69: CONST MNS_B1 : MN : S : !

MnS-15Dil.tdb: MNS_B1, type code %, sha256 1bae6a84eb44ebb4…

69: PHASE MNS_B1 % 2 1 1 !
70: CONST MNS_B1 : MN : S : !

MnS-98Mie.tdb: MNS_B1, type code %, sha256 345407844111fa7d…

68: PHASE MNS_B1 % 2 1 1 !
69: CONST MNS_B1 : MN : S : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

MNS2_C2 (Mn–S)

Id: phase:mn-s:mns2-c2; status assigned
Structure: beta-FeS2 · C2 · cP12 · Pa-3 (205); type st:c2-beta-fes2-cp12; tier A: standard phase name; confidence high
Stoichiometry: Mn 0.3333, S 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–567.18 K, x(S) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mn-s:mns2-c2
tdb: tdb:MnS-15Dil.tdb:MNS2_C2

TDB models of MNS2_C2 (1): PHASE and CONSTITUENT statements as written

MnS-15Dil.tdb: MNS2_C2, type code %, sha256 1bae6a84eb44ebb4…

74: PHASE MNS2_C2 % 2 1 2 !
75: CONST MNS2_C2 : MN : S : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase

MONOCLINIC_S (Mn–S)

Id: phase:mn-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 — MnS-00Oht.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — MnS-15Dil.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — MnS-98Mie.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 1.0000
Stability: not stable in 3 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:s-monoclinic
tdb: tdb:MnS-00Oht.tdb:MONOCLINIC_S, tdb:MnS-15Dil.tdb:MONOCLINIC_S, tdb:MnS-98Mie.tdb:MONOCLINIC_S

TDB models of MONOCLINIC_S (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: MONOCLINIC_S, type code %, sha256 327a611384ae600b…

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

MnS-15Dil.tdb: MONOCLINIC_S, type code %, sha256 1bae6a84eb44ebb4…

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

MnS-98Mie.tdb: MONOCLINIC_S, type code %, sha256 345407844111fa7d…

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

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
assessment that models this phase

ORTHORHOMBIC_S (Mn–S)

Id: phase:mn-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 — MnS-00Oht.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Candidate (tdb_comment): alpha-S · oF128 · Fddd — MnS-15Dil.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Candidate (tdb_comment): alpha-S · oF128 · Fddd — MnS-98Mie.tdb: 'Prototype alpha-S (oF128, Fddd), A16'
Stoichiometry: S 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 300–2500 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mn-s:s-orthorhombic
tdb: tdb:MnS-00Oht.tdb:ORTHORHOMBIC_S, tdb:MnS-15Dil.tdb:ORTHORHOMBIC_S, tdb:MnS-98Mie.tdb:ORTHORHOMBIC_S

TDB models of ORTHORHOMBIC_S (3): PHASE and CONSTITUENT statements as written

MnS-00Oht.tdb: ORTHORHOMBIC_S, type code %, sha256 327a611384ae600b…

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

MnS-15Dil.tdb: ORTHORHOMBIC_S, type code %, sha256 1bae6a84eb44ebb4…

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

MnS-98Mie.tdb: ORTHORHOMBIC_S, type code %, sha256 345407844111fa7d…

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

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.11.004 David Dilner, Huahai Mao, Malin Selleby, Thermodynamic assessment of the Mn–S and Fe–Mn–S systems, Calphad 48, 95-105 (2015).
assessment that models this phase
doi:10.1016/S0364-5916(98)00027-3 J. Miettinen, B. Hallstedt, Calphad, 22, 257-73(1998).
assessment that models this phase
doi:10.1515/HTMP.2000.19.3-4.197 H. Ohtani, K. Oikawa, K. Ishida, High Temp. Mater. Proc., 19, 197-210(2000).
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}
}