Mo–S system

57 accepted literature values from 1 paper(s) (experimental 35, model 18, unspecified 4); 1 calculated phase diagram(s). 4 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	35
model	18
unspecified	4

Accepted values by property group
Property group	Values
invariant reaction	56
other property	1

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
MoS-18Cui.tdb	S. Cui, B. Hu, B. Ouyang, D. Zhao, Thermochim. Acta, 660, 44-55(2018). doi:10.1016/j.tca.2017.12.011	`f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MoS-18Cui.tdb	2026.77	MO2S3_HT (x(S) 0.6) + LIQUID (x(S) 0.60869) + GAS (x(S) 1)
MoS-18Cui.tdb	1992.94	MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66312) + GAS (x(S) 1)
MoS-18Cui.tdb	1992.94	MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66311) + GAS (x(S) 1)
MoS-18Cui.tdb	1992.94	MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66312) + GAS (x(S) 1)
MoS-18Cui.tdb	1889.67	BCC_A2 (x(S) 0.02647) + LIQUID (x(S) 0.44526) + MO2S3_HT (x(S) 0.6)
MoS-18Cui.tdb	1833	BCC_A2 (x(S) 0.02544) + MO2S3_HT (x(S) 0.6) + MO2S3_LT (x(S) 0.6)
MoS-18Cui.tdb	1833	MO2S3_HT (x(S) 0.6) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.66274)
MoS-18Cui.tdb	1833	MO2S3_LT (x(S) 0.6) + MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66274)
MoS-18Cui.tdb	1833	BCC_A2 (x(S) 0.02545) + MO2S3_LT (x(S) 0.6) + MO2S3_HT (x(S) 0.6)
MoS-18Cui.tdb	882.97	BCC_A2 (x(S) 0.00842) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.65541)
MoS-18Cui.tdb	882.97	BCC_A2 (x(S) 0.00842) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.65541)
MoS-18Cui.tdb	735.29	MOS2_C7 (x(S) 0.7152) + LIQUID (x(S) 0.99998) + GAS (x(S) 1)
MoS-18Cui.tdb	735.29	MOS2_C7 (x(S) 0.7152) + LIQUID (x(S) 0.99998) + GAS (x(S) 1)
MoS-18Cui.tdb	384.34	MOS2_C7 (x(S) 0.69616) + LIQUID (x(S) 1) + ORTHORHOMBIC_A16 (x(S) 1)
MoS-18Cui.tdb	384.34	MOS2_C7 (x(S) 0.69618) + ORTHORHOMBIC_A16 (x(S) 1) + LIQUID (x(S) 1)
MoS-18Cui.tdb	384.34	MOS2_C7 (x(S) 0.69617) + LIQUID (x(S) 1) + ORTHORHOMBIC_A16 (x(S) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mo–S system (56)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2648.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Cannon 1959	Table 3, p. 5, row 1 report
2373.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Takeno 1977	Table 3, p. 5, row 5 report
2273.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Moh 1978 doi	Table 3, p. 5, row 6 report
2226.15	Liquid = MoS2 + Mo2S3	MoS2: Mo 0.333333, S 0.666667; Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Vasilyeva 2008 doi	Table 3, p. 5, row 35 report
2223.15	Liquid = Liquid + bcc_A2		experimental	[1] Cui 2018 cites Takeno 1977	Table 3, p. 5, row 37 report
2223.15	Liquid = Liquid + bcc_A2		experimental	[1] Cui 2018 cites Moh 1978 doi	Table 3, p. 5, row 38 report
2173.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Moh 1974	Table 3, p. 5, row 4 report
2073.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018	Table 3, p. 5, row 2 report
2053.15	congruent melting: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Vasilyeva 2008 doi	Table 3, p. 5, row 16 report
2027.35	congruent melting: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	model	[1] Cui 2018	Table 3, p. 5, row 22 report
2027.15	Liquid = β_Mo2S3 + gas	Liquid: S 0.61; β_Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018	Table 3, p. 5, row 11 report
2026.15	congruent melting: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 21 report
2023.15	S2 (g) + Liquid = MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Brewer 1980	Table 3, p. 5, row 47 report
2013.15	congruent melting: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Gibner 1998 doi	Table 3, p. 5, row 15 report
2013.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Johnson 1983 doi	Table 3, p. 5, row 19 report
2013.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1974	Table 3, p. 5, row 13 report
2004.15	Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 7 report
2004.15	S2 (g) + Liquid = MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 48 report
2004.15	Liquid = MoS2 + Mo2S3	MoS2: Mo 0.333333, S 0.666667; Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 36 report
1992.15	MoS2 = β_Mo2S3 + gas	MoS2: Mo 0.333333, S 0.666667; β_Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018	Table 3, p. 5, row 12 report
1973.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Takeno 1977	Table 3, p. 5, row 17 report
1973.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1978 doi	Table 3, p. 5, row 18 report
1923.15	other: Melting point of MoS2	MoS2: Mo 0.333333, S 0.666667; L: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Zelikman 1956	Table 3, p. 5, row 3 report
1918.15	Liquid = bcc_A2 + β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Gibner 1998 doi	Table 3, p. 5, row 24 report
1889.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.445; β_Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018	Table 3, p. 5, row 34 report
1888.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.44; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Vasilyeva 2008 doi	Table 3, p. 5, row 25 report
1883.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.41; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Takeno 1977	Table 3, p. 5, row 26 report
1883.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.41; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1978 doi	Table 3, p. 5, row 29 report
1882.15	Liquid = bcc_A2 + β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 33 report
1880.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.37; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Johnson 1983 doi	Table 3, p. 5, row 28 report
1880.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.37; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1974	Table 3, p. 5, row 23 report
1873.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6	unspecified	[1] Cui 2018 cites Starkov 1987	Table 3, p. 5, row 20 report
1873.15	other: Melting point of β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Gorokh 1964	Table 3, p. 5, row 14 report
1853.15	Boiling point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Vasilyeva 2008 doi	Table 3, p. 5, row 10 report
1848.15	Boiling point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Gibner 1998 doi	Table 3, p. 5, row 9 report
1838.15	Boiling point of MoS2	MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Isakova 1961	Table 3, p. 5, row 8 report
1833.15	polymorphic: α_Mo2S3 = β_Mo2S3	α_Mo2S3: Mo 0.4, S 0.6; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1974	Table 3, p. 5, row 54 report
1833.15	polymorphic: α_Mo2S3 = β_Mo2S3	α_Mo2S3: Mo 0.4, S 0.6; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Moh 1978 doi	Table 3, p. 5, row 56 report
1833.15	polymorphic: α_Mo2S3 = β_Mo2S3	α_Mo2S3: Mo 0.4, S 0.6; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Takeno 1977	Table 3, p. 5, row 55 report
1823.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.42; β_Mo2S3: Mo 0.4, S 0.6	model	[1] Cui 2018 cites Brewer 1980	Table 3, p. 5, row 31 report
1813.15	Liquid = bcc_A2 + β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Eremenko 1970	Table 3, p. 5, row 30 report
1813.15	Liquid = bcc_A2 + β_Mo2S3	β_Mo2S3: Mo 0.4, S 0.6	unspecified	[1] Cui 2018 cites Starkov 1987	Table 3, p. 5, row 32 report
1733.15	Liquid = bcc_A2 + β_Mo2S3	Liquid: S 0.48; β_Mo2S3: Mo 0.4, S 0.6	experimental	[1] Cui 2018 cites Patterson 1987	Table 3, p. 5, row 27 report
1273.15	polymorphic: 3R_MoS2 = 2H_MoS2	3R_MoS2: Mo 0.333333, S 0.666667; 2H_MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Johnson 1983 doi	Table 3, p. 5, row 53 report
937.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Brewer 1980	Table 3, p. 5, row 42 report
937.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Pouillard 1975	Table 3, p. 5, row 41 report
902.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 45 report
883.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018	Table 3, p. 5, row 46 report
883.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	unspecified	[1] Cui 2018 cites Starkov 1987	Table 3, p. 5, row 44 report
883.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Morimoto 1962	Table 3, p. 5, row 40 report
883.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Johnson 1983 doi	Table 3, p. 5, row 43 report
883.15	α_Mo2S3 = bcc_A2 + MoS2	α_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667	experimental	[1] Cui 2018 cites Moh 1974	Table 3, p. 5, row 39 report
734.15	S2 (g) = Liquid + MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Shang 2016 doi	Table 3, p. 5, row 51 report
734.15	S2 (g) = Liquid + MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018	Table 3, p. 5, row 52 report
717.75	S2 (g) = Liquid + MoS2	MoS2: Mo 0.333333, S 0.666667	model	[1] Cui 2018 cites Brewer 1980	Table 3, p. 5, row 49 report
717.15	S2 (g) = Liquid + MoS2	MoS2: Mo 0.333333, S 0.666667	unspecified	[1] Cui 2018 cites Starkov 1987	Table 3, p. 5, row 50 report

Other properties

Other property (1)

Other property, Mo–S system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Other printed: ΔfusH	37479.8 J/mol	2896	Mo	model	[1] Cui 2018 cites Dinsdale 1991 doi	p. 6 report	However, the melting point (Tm) of Mo is 2896.00 K, and the enthalpy of fusion (ΔfusH) of Mo is 37479.78 J/mol [113].

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

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). doi:10.1016/j.tca.2017.12.011

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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). 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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}