Mo–S phases

10 phases (tier A 5, tier C 1, liquid 1, gas 1, needs_review 2); 7 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 · Mo–S system page · Markdown · field reference

Phases of the Mo–S system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
ORTHORHOMBIC_A16 phase:mo-s:a16-orthorhombic	alpha-S · A16 · oF128 · Fddd (70)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–384.34 K, x(S) 1–1	0	1
BCC_A2 phase:mo-s:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2896.99 K, x(S) 0–0.02647	22	1
FCC_A1 phase:mo-s:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
GAS phase:mo-s:gas	gas	gas	stable in 1 of 1 calculated diagram(s): 690.29–4000 K, x(S) 0.94459–1	11	1
HCP_A3 phase:mo-s:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LIQUID phase:mo-s:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 384.34–4000 K, x(S) 0–1	40	1
MO2S3_HT phase:mo-s:mo2s3-ht		needs_review	stable in 1 of 1 calculated diagram(s): 1833–2026.77 K, x(S) 0.6–0.6	29	1
MO2S3_LT phase:mo-s:mo2s3-lt	Mo2S3 · mP10 · P2_1/m (11)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 882.97–1833 K, x(S) 0.6–0.6	11	1
MOS2_C7 phase:mo-s:mos2-c7	MoS2 (2H) · C7 · hP6 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1992.94 K, x(S) 0.65541–0.7152	28	1
MONOCLINIC_S phase:mo-s:s-monoclinic		needs_review	not stable in 1 calculated diagram(s)	0	1

ORTHORHOMBIC_A16 (Mo–S)

Id: phase:mo-s:a16-orthorhombic; status assigned
Structure: alpha-S · A16 · oF128 · Fddd (70); type st:a16-alpha-s-of128; tier A: standard phase name; confidence high
Stoichiometry: S 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–384.34 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mo-s:a16-orthorhombic
tdb: tdb:MoS-18Cui.tdb:ORTHORHOMBIC_A16

TDB models of ORTHORHOMBIC_A16 (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: ORTHORHOMBIC_A16, type code %, sha256 f40ff1fdf8952ae3…

55: PHASE ORTHORHOMBIC_A16 % 1 1 !
56: CONST ORTHORHOMBIC_A16 : S : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase

BCC_A2 (Mo–S)

Id: phase:mo-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 1 of 1 calculated diagram(s): 300–2896.99 K, x(S) 0–0.02647
Literature: 22 values (22 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-s:bcc-a2
paper: paper:10.1016/j.tca.2017.12.011:bcc_A2
tdb: tdb:MoS-18Cui.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: BCC_A2, type code %B, sha256 f40ff1fdf8952ae3…

45: PHASE BCC_A2 %B 2 1 3 !
46: CONST BCC_A2 : MO% S : VA : !

Example references (6 of 6; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1007/bfb0047028 Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).
cited as the source of values for this phase
doi:10.1016/0036-9748(83)90262-4 William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).
cited as the source of values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase
doi:10.1016/j.jallcom.2007.01.175 I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).
cited as the source of values for this phase
doi:10.1023/a:1010115620439 Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).
cited as the source of values for this phase

FCC_A1 (Mo–S)

Id: phase:mo-s:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Mo 1.0000
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:mo-s:fcc-a1
tdb: tdb:MoS-18Cui.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: FCC_A1, type code %A, sha256 f40ff1fdf8952ae3…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : MO : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase

GAS (Mo–S)

Id: phase:mo-s:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 690.29–4000 K, x(S) 0.94459–1
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-s:gas
paper: paper:10.1016/j.tca.2017.12.011:S2 (g), paper:10.1016/j.tca.2017.12.011:gas
tdb: tdb:MoS-18Cui.tdb:GAS

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

MoS-18Cui.tdb: GAS, type code %, sha256 f40ff1fdf8952ae3…

78: PHASE GAS:G % 1 1 !
79: CONST GAS:G : MO MO2 MOS MOS2 S S2 S3 S4 S5 S6 S7 S8 : !

Example references (4 of 4; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase
doi:10.1016/j.jallcom.2007.01.175 I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).
cited as the source of values for this phase
doi:10.1023/a:1010115620439 Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).
cited as the source of values for this phase

HCP_A3 (Mo–S)

Id: phase:mo-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: Mo 1.0000
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:mo-s:hcp-a3
tdb: tdb:MoS-18Cui.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: HCP_A3, type code %A, sha256 f40ff1fdf8952ae3…

50: PHASE HCP_A3 %A 2 1 0.5 !
51: CONST HCP_A3 : MO : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase

LIQUID (Mo–S)

Id: phase:mo-s:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 384.34–4000 K, x(S) 0–1
Literature: 40 values (40 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-s:liquid
paper: paper:10.1016/j.tca.2017.12.011:L, paper:10.1016/j.tca.2017.12.011:Liquid
tdb: tdb:MoS-18Cui.tdb:LIQUID

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

MoS-18Cui.tdb: LIQUID, type code %, sha256 f40ff1fdf8952ae3…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : MO S : !

Example references (6 of 6; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase
doi:10.1007/bfb0047028 Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).
cited as the source of values for this phase
doi:10.1016/j.jallcom.2007.01.175 I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).
cited as the source of values for this phase
doi:10.1016/0036-9748(83)90262-4 William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).
cited as the source of values for this phase
doi:10.1023/a:1010115620439 Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).
cited as the source of values for this phase

MO2S3_HT (Mo–S)

Id: phase:mo-s:mo2s3-ht; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Mo2S3) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Mo2S3) — Hallstedt 2025 mmc2 row for MO2S3_HT: Mo2S3 (high T)
Stoichiometry: Mo 0.4000, S 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 1833–2026.77 K, x(S) 0.6–0.6
Literature: 29 values (29 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-s:mo2s3-ht
paper: paper:10.1016/j.tca.2017.12.011:Mo2S3, paper:10.1016/j.tca.2017.12.011:β_Mo2S3
tdb: tdb:MoS-18Cui.tdb:MO2S3_HT

TDB models of MO2S3_HT (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: MO2S3_HT, type code %, sha256 f40ff1fdf8952ae3…

70: PHASE MO2S3_HT % 2 2 3 !
71: CONST MO2S3_HT : MO : S : !

Example references (6 of 6; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1007/bfb0047028 Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).
cited as the source of values for this phase
doi:10.1016/j.jallcom.2007.01.175 I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).
cited as the source of values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase
doi:10.1016/0036-9748(83)90262-4 William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).
cited as the source of values for this phase
doi:10.1023/a:1010115620439 Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).
cited as the source of values for this phase

MO2S3_LT (Mo–S)

Id: phase:mo-s:mo2s3-lt; status assigned
Structure: Mo2S3 · mP10 · P2_1/m (11); type st:mo2s3-mp10; 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 (no_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Mo 0.4000, S 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 882.97–1833 K, x(S) 0.6–0.6
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-s:mo2s3-lt
paper: paper:10.1016/j.tca.2017.12.011:α_Mo2S3
tdb: tdb:MoS-18Cui.tdb:MO2S3_LT

TDB models of MO2S3_LT (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: MO2S3_LT, type code %, sha256 f40ff1fdf8952ae3…

65: PHASE MO2S3_LT % 2 2 3 !
66: CONST MO2S3_LT : MO : S : !

Example references (4 of 4; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1007/bfb0047028 Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).
cited as the source of values for this phase
doi:10.1016/0036-9748(83)90262-4 William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).
cited as the source of values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase

MOS2_C7 (Mo–S)

Id: phase:mo-s:mos2-c7; status assigned
Structure: MoS2 (2H) · C7 · hP6 · P6_3/mmc (194); type st:c7-mos2-2h-hp6; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1992.94 K, x(S) 0.65541–0.7152
Literature: 28 values (28 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-s:mos2-c7
paper: paper:10.1016/j.tca.2017.12.011:2H_MoS2, paper:10.1016/j.tca.2017.12.011:MoS2
tdb: tdb:MoS-18Cui.tdb:MOS2_C7

TDB models of MOS2_C7 (1): PHASE and CONSTITUENT statements as written

MoS-18Cui.tdb: MOS2_C7, type code %, sha256 f40ff1fdf8952ae3…

75: PHASE MOS2_C7 % 2 1 2 !
76: CONST MOS2_C7 : MO% S : MO S% : !

Example references (6 of 6; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
assessment that models this phase; reports values for this phase
doi:10.1021/acs.nanolett.6b02443 Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2, Nano Lett. 16, 5742-5750 (2016).
cited as the source of values for this phase
doi:10.1016/0036-9748(83)90262-4 William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).
cited as the source of values for this phase
doi:10.1016/j.jallcom.2007.01.175 I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).
cited as the source of values for this phase
doi:10.1007/bfb0047028 Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).
cited as the source of values for this phase
doi:10.1023/a:1010115620439 Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).
cited as the source of values for this phase

MONOCLINIC_S (Mo–S)

Id: phase:mo-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 — MoS-18Cui.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 1.0000
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:mo-s:s-monoclinic
tdb: tdb:MoS-18Cui.tdb:MONOCLINIC_S

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

MoS-18Cui.tdb: MONOCLINIC_S, type code %, sha256 f40ff1fdf8952ae3…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2017.12.011 Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).
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}
}