Mo system

52 accepted literature values from 9 paper(s) (experimental 25, model 11, DFT 11, unspecified 5); 0 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	25
model	11
DFT	11
unspecified	5

Accepted values by property group
Property group	Values
phase equilibrium	14
formation	11
heat capacity / entropy / enthalpy	12
activity / EMF / Gibbs energy	2
crystal structure	10
other property	3

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Mo system (11)
Phase	Value	T (K)	Class	Source	Location
A15	8.582 kJ/mol (basis unstated)	0	model	[1] Fiorani 2024	Table 5, p. 21, row 16 report
A15	8.582 kJ/mol (basis unstated)	0	DFT	[1] Fiorani 2024	Table 5, p. 21, row 15 report
Mo	0 kJ/mol (basis unstated)		DFT	[2] Zhou 2005 cites Wang 2005 doi	Table 2, p. 4, row 26 report
Mo	0 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2005 cites Wang 2005 doi	Table 2, p. 4, row 26 report
Mo	0 kJ/mol-atom		DFT	[3] Zhou 2009	Table 6, p. 7, row 3 report
Mo	39.51 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2005	Table 2, p. 4, row 27 report
Mo	39.51 kJ/mol (basis unstated)		DFT	[2] Zhou 2005	Table 2, p. 4, row 27 report
Mo	39.51 kJ/mol-atom		DFT	[3] Zhou 2009	Table 6, p. 7, row 4 report
\sigma	0 kJ/mol (basis unstated)	0	DFT	[4] Mathieu 2013 cites Crivello 2013	Table 4, p. 5, row 1 report
\sigma	16.1 kJ/mol (basis unstated)	0	DFT	[4] Mathieu 2013 cites Crivello 2013	Table 4, p. 5, row 1 report
χ	26.13 kJ/mol (basis unstated)	0	DFT	[4] Mathieu 2013 cites Crivello 2013	Table 5, p. 5, row 1 report

Other properties

Phase equilibrium (14)

Phase equilibrium, Mo system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	1477.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.945; (Mo): Mo 0.945	experimental	[5] Ltd. 1997 cites ref. 51Ham	Table 3, p. 4, row 5 report
Phase composition	1589.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.932; (Mo): Mo 0.932	experimental	[5] Ltd. 1997 cites ref. 51Ham	Table 3, p. 4, row 4 report
Phase composition	1644.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.926; (Mo): Mo 0.926	experimental	[5] Ltd. 1997 cites ref. 51Ham	Table 3, p. 4, row 3 report
Phase composition	1755.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.902; (Mo): Mo 0.902	experimental	[5] Ltd. 1997 cites ref. 51Ham	Table 3, p. 4, row 2 report
Phase composition	1845.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.892; (Mo): Mo 0.892	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 14 report
Phase composition	1873.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.882; (Mo): Mo 0.882	experimental	[5] Ltd. 1997 cites ref. 71Rex	Table 3, p. 4, row 7 report
Phase composition	1877.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.886; (Mo): Mo 0.886	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 13 report
Phase composition	1903.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.881; (Mo): Mo 0.881	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 12 report
Phase composition	1932.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.877; (Mo): Mo 0.877	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 11 report
Phase composition	1961.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.87; (Mo): Mo 0.87	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 10 report
Phase composition	1973.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.863; (Mo): Mo 0.863	experimental	[5] Ltd. 1997 cites ref. 71Rex	Table 3, p. 4, row 6 report
Phase composition	1995.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.867; (Mo): Mo 0.867	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 9 report
Phase composition	2021.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.862; (Mo): Mo 0.862	experimental	[5] Ltd. 1997 cites ref. 82Shi	Table 3, p. 4, row 8 report
Phase composition	2423.15	Mo-rich solvus + (Mo) Mo-rich solvus: Mo 0.795; (Mo): Mo 0.795	experimental	[5] Ltd. 1997 cites ref. 51Ham	Table 3, p. 4, row 1 report

Heat capacity / entropy / enthalpy (12)

Heat capacity / entropy / enthalpy, Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location
heat content from base t printed: Hm(T)-Hm(273K)	2422 J/mol of atoms	373	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 30 report
heat content from base t printed: Hm(T)-Hm(273K)	2126 J/mol of atoms	373	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 27 report
heat content from base t printed: Hm(373K)-Hm(273K)	2422 J/mol of atoms	373	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 8 report
heat content from base t printed: Hm(373K)-Hm(273K)	2126 J/mol of atoms	373	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 7 report
heat content from base t printed: Hm(T)-Hm(273K)	7231 J/mol of atoms	599	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 28 report
heat content from base t printed: Hm(T)-Hm(273K)	7613 J/mol of atoms	599	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 31 report
heat content from base t printed: Hm(599K)-Hm(273K)	7613 J/mol of atoms	599	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 8 report
heat content from base t printed: Hm(599K)-Hm(273K)	7231 J/mol of atoms	599	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 7 report
heat content from base t printed: Hm(T)-Hm(273K)	12722 J/mol of atoms	784	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 29 report
heat content from base t printed: Hm(784K)-Hm(273K)	12730 J/mol of atoms	784	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 8 report
heat content from base t printed: Hm(T)-Hm(273K)	12730 J/mol of atoms	784	UNKNOWN alloy: Mo 1	model	[6] Frisk 1991	Table II, p. 8, row 32 report
heat content from base t printed: Hm(784K)-Hm(273K)	12722 J/mol of atoms	784	UNKNOWN alloy: Mo 1	experimental	[6] Frisk 1991 cites Satoh 1938	Table II, p. 8, row 7 report

Activity / EMF / Gibbs energy (2)

Activity / EMF / Gibbs energy, Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Gibbs energy printed: Gm(ω)-Gm(β)	13938 J/mol	0	UNKNOWN alloy: Mo 1	model	[7] Yan 2016	Table 4, p. 5, row 8 report
Gibbs energy printed: Gm(ω)-Gm(β)	39043 J/mol	0	UNKNOWN alloy: Mo 1	DFT	[7] Yan 2016	Table 4, p. 5, row 7 report

Crystal structure (10)

Crystal structure, Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	3.173 Å		Mo alloy: Mo 1	model	[8] Huang 2020	Table 1, p. 3, row 12 report
Lattice a	3.147 Å	298.15	Mo alloy: Mo 1	experimental	[8] Huang 2020 cites Michalik 1963	Table 1, p. 3, row 11 report
Lattice a	3.147 Å	298.15	Mo Mo: Mo 1	unspecified	[5] Ltd. 1997	Table 5, p. 5, row 9 report
Lattice b	3.173 Å		Mo alloy: Mo 1	model	[8] Huang 2020	Table 1, p. 3, row 12 report
Lattice b	3.147 Å	298.15	Mo alloy: Mo 1	experimental	[8] Huang 2020 cites Michalik 1963	Table 1, p. 3, row 11 report
Lattice c	3.173 Å		Mo alloy: Mo 1	model	[8] Huang 2020	Table 1, p. 3, row 12 report
Lattice c	3.147 Å	298.15	Mo alloy: Mo 1	experimental	[8] Huang 2020 cites Michalik 1963	Table 1, p. 3, row 11 report
lattice unspecified axis printed: Lattice constant	3.1472 Å		Pure Mo alloy: Mo 1	experimental	[9] Turchi 2005	Table I, p. 5, row 2 report
lattice unspecified axis printed: Lattice constant	3.1738 Å		Pure Mo alloy: Mo 1	unspecified	[9] Turchi 2005	Table I, p. 5, row 9 report
lattice unspecified axis printed: Lattice constant	3.1781 Å		Pure Mo alloy: Mo 1	unspecified	[9] Turchi 2005	Table I, p. 5, row 5 report

Other property (3)

Other property, Mo system
Property	Value	Phases / composition	Class	Source	Location
bulk modulus printed: Bulk modulus	273.1 GPa	Pure Mo alloy: Mo 1	unspecified	[9] Turchi 2005	Table I, p. 5, row 5 report
bulk modulus printed: Bulk modulus	291.9 GPa	Pure Mo alloy: Mo 1	unspecified	[9] Turchi 2005	Table I, p. 5, row 9 report
bulk modulus printed: Bulk modulus	262.6 GPa	Pure Mo alloy: Mo 1	experimental	[9] Turchi 2005	Table I, p. 5, row 2 report

Sources

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

J.-M. Fiorani, M. Siblani, J.-M. Joubert, C. Barreteau, J.-C. Crivello, N. David et al., Thermodynamic modeling of the Mo–Pt system based on the NACEF approach, Calphad 84, 102665 (2024). doi:10.1016/j.calphad.2024.102665
S.H. Zhou, Y. Wang, C. Jiang, J.Z. Zhu, L.-Q. Chen, Z.-K. Liu, First-principles calculations and thermodynamic modeling of the Ni–Mo system, Materials Science and Engineering: A 397, 288-296 (2005). doi:10.1016/j.msea.2005.02.037
S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano, Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations, Calphad 33, 631-641 (2009). doi:10.1016/j.calphad.2009.06.006
R. Mathieu, N. Dupin, J.-C. Crivello, K. Yaqoob, A. Breidi, J.-M. Fiorani et al., CALPHAD description of the Mo–Re system focused on the sigma phase modeling, Calphad 43, 18-31 (2013). doi:10.1016/j.calphad.2013.08.002
Thermotech Ltd., N. Saunders, The Al-Mo system (aluminum-molybdenum), JPE 18, 370-378 (1997). doi:10.1007/s11669-997-0063-1
Karin Frisk, A thermodynamic evaluation of the Cr-N, Fe-N, Mo-N and Cr-Mo-N systems, Calphad 15, 79-106 (1991). doi:10.1016/0364-5916(91)90028-i
Jia-Yi Yan, G.B. Olson, Computational thermodynamics and kinetics of displacive transformations in titanium-based alloys, Journal of Alloys and Compounds 673, 441-454 (2016). doi:10.1016/j.jallcom.2016.02.251
Y.-Y. Huang, B. Wu, F. Li, L.-L. Chen, Z.-X. Deng, K. Chang, First-principles and CALPHAD-type study of the Ir-Mo and Ir-W systems, J min metall B Metall 56, 109-118 (2020). doi:10.2298/jmmb190211001h
P. E. A. Turchi, V. Drchal, J. Kudrnovský, C. Colinet, Larry Kaufman, Zi-Kui Liu, Application of<i>ab initio</i>and CALPHAD thermodynamics to Mo-Ta-W alloys, Phys. Rev. B 71 (2005). doi:10.1103/physrevb.71.094206

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 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_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}
}