# Mo system > Mo system: 52 accepted literature values (phase equilibrium 14, heat capacity / entropy / enthalpy 12, formation 11, crystal structure 10) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote. HTML: https://data.orchid-project.org/systems/MO.html · Markdown: https://data.orchid-project.org/systems/MO.md 52 accepted literature values from 9 paper(s) (experimental 25, model 11, DFT 11, unspecified 5); 0 calculated phase diagram(s). Data: [JSON](https://data.orchid-project.org/literature/systems/MO.json) · [CSV](https://data.orchid-project.org/systems/MO.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MO) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MO.html) · [Markdown](https://data.orchid-project.org/systems/MO.md) Table: Accepted values by evidence class | Evidence class | Values | |---|---:| | experimental | 25 | | model | 11 | | DFT | 11 | | unspecified | 5 | Table: 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](https://data.orchid-project.org/literature/dft_parity.json). Table: Enthalpies of formation, Mo system (11) | Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote | |---|---|---:|---:|---|---:|---:|---|---|---| | A15 | | 8.582 kJ/mol (basis unstated) | 0 | model | | | [1] Fiorani 2024 | Table 5, p. 21, row 16; `ORC-AFMBX2EUKB` | | | A15 | | 8.582 kJ/mol (basis unstated) | 0 | DFT | | | [1] Fiorani 2024 | Table 5, p. 21, row 15; `ORC-UOMZE7YT7J` | | | Mo | | 0 kJ/mol (basis unstated) | | DFT | | | [2] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 26; `ORC-4SS32G7DVA.4979e1` | | | Mo | | 0 kJ/mol (basis unstated) | 0 | DFT | | | [2] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 26; `ORC-4SS32G7DVA.fc424f` | | | Mo | | 0 kJ/mol-atom | | DFT | | | [3] Zhou 2009 | Table 6, p. 7, row 3; `ORC-DWZUJCX5W5` | | | Mo | | 39.51 kJ/mol (basis unstated) | 0 | DFT | | | [2] Zhou 2005 | Table 2, p. 4, row 27; `ORC-232EEQ5WRP.b0acc1` | | | Mo | | 39.51 kJ/mol (basis unstated) | | DFT | | | [2] Zhou 2005 | Table 2, p. 4, row 27; `ORC-232EEQ5WRP.f8f6d8` | | | Mo | | 39.51 kJ/mol-atom | | DFT | | | [3] Zhou 2009 | Table 6, p. 7, row 4; `ORC-6PN52EDCND` | | | \\sigma | | 0 kJ/mol (basis unstated) | 0 | DFT | | | [4] Mathieu 2013; _cites Crivello 2013_ | Table 4, p. 5, row 1; `ORC-ANP55WDND6.c72306` | | | \\sigma | | 16.1 kJ/mol (basis unstated) | 0 | DFT | | | [4] Mathieu 2013; _cites Crivello 2013_ | Table 4, p. 5, row 1; `ORC-ANP55WDND6.1b7ef7` | | | χ | | 26.13 kJ/mol (basis unstated) | 0 | DFT | | | [4] Mathieu 2013; _cites Crivello 2013_ | Table 5, p. 5, row 1; `ORC-7G54NIOYJL` | | ## Other properties ### Phase equilibrium (14) Table: Phase equilibrium, Mo system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | 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; `ORC-OJFKN5X22A` | | | 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; `ORC-UJCGN3YZ4B` | | | 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; `ORC-B2XNRW5ZZL` | | | 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; `ORC-YTFPNYOHEE` | | | 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; `ORC-BVZZHVCN56` | | | 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; `ORC-2OHIQ4OEZB` | | | 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; `ORC-VLQENMTTY6` | | | 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; `ORC-YA2QSOAKEL` | | | 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; `ORC-62TAJE7W7C` | | | 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; `ORC-SDPJXVVDPK` | | | 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; `ORC-5R72GSYW7N` | | | 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; `ORC-UGB2PK6KAW` | | | 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; `ORC-23VHJD4IZ5` | | | 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; `ORC-PDOJNW36V3` | | ### Heat capacity / entropy / enthalpy (12) Table: Heat capacity / entropy / enthalpy, Mo system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | 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; `ORC-BPDJ2SOLY3` | | | 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; `ORC-CS4BZE2ELF` | | | 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; `ORC-N5BEGSNYRN.4fe3a7` | | | 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; `ORC-YQGEY2PAIH.c00fe2` | | | 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; `ORC-C6GY4ZLDGI` | | | 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; `ORC-IWVYX4KX5N` | | | 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; `ORC-N5BEGSNYRN.857c9d` | | | 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; `ORC-YQGEY2PAIH.90d8ec` | | | 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; `ORC-2NUOQD7ZVW` | | | 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; `ORC-N5BEGSNYRN.8c66ed` | | | 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; `ORC-VLVSMQKZBZ` | | | 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; `ORC-YQGEY2PAIH.76ca81` | | ### Activity / EMF / Gibbs energy (2) Table: 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; `ORC-BXRGXAQOPE` | | | 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; `ORC-W3YXZTJKHX` | | ### Crystal structure (10) Table: Crystal structure, Mo system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Lattice a | 3.173 Å | | Mo; _alloy: Mo 1_ | model | [8] Huang 2020 | Table 1, p. 3, row 12; `ORC-HBAWRNHL2O.c9a845` | | | Lattice a | 3.147 Å | 298.15 | Mo; _alloy: Mo 1_ | experimental | [8] Huang 2020; _cites Michalik 1963_ | Table 1, p. 3, row 11; `ORC-6VOF4QNARJ.02d3c5` | | | Lattice a | 3.147 Å | 298.15 | Mo; _Mo: Mo 1_ | unspecified | [5] Ltd. 1997 | Table 5, p. 5, row 9; `ORC-A4LIGGBNIT` | | | Lattice b | 3.173 Å | | Mo; _alloy: Mo 1_ | model | [8] Huang 2020 | Table 1, p. 3, row 12; `ORC-HBAWRNHL2O.44b86d` | | | Lattice b | 3.147 Å | 298.15 | Mo; _alloy: Mo 1_ | experimental | [8] Huang 2020; _cites Michalik 1963_ | Table 1, p. 3, row 11; `ORC-6VOF4QNARJ.c39933` | | | Lattice c | 3.173 Å | | Mo; _alloy: Mo 1_ | model | [8] Huang 2020 | Table 1, p. 3, row 12; `ORC-HBAWRNHL2O.1fcb4f` | | | Lattice c | 3.147 Å | 298.15 | Mo; _alloy: Mo 1_ | experimental | [8] Huang 2020; _cites Michalik 1963_ | Table 1, p. 3, row 11; `ORC-6VOF4QNARJ.f86d6c` | | | lattice unspecified axis; _printed: Lattice constant_ | 3.1472 Å | | Pure Mo; _alloy: Mo 1_ | experimental | [9] Turchi 2005 | Table I, p. 5, row 2; `ORC-6YWIRSAHMP` | | | lattice unspecified axis; _printed: Lattice constant_ | 3.1738 Å | | Pure Mo; _alloy: Mo 1_ | unspecified | [9] Turchi 2005 | Table I, p. 5, row 9; `ORC-G4Z2ZQVS2I` | | | lattice unspecified axis; _printed: Lattice constant_ | 3.1781 Å | | Pure Mo; _alloy: Mo 1_ | unspecified | [9] Turchi 2005 | Table I, p. 5, row 5; `ORC-IMUJYI3N53` | | ### Other property (3) Table: Other property, Mo system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | bulk modulus; _printed: Bulk modulus_ | 273.1 GPa | | Pure Mo; _alloy: Mo 1_ | unspecified | [9] Turchi 2005 | Table I, p. 5, row 5; `ORC-BSJJPOKIUU` | | | bulk modulus; _printed: Bulk modulus_ | 291.9 GPa | | Pure Mo; _alloy: Mo 1_ | unspecified | [9] Turchi 2005 | Table I, p. 5, row 9; `ORC-NMV4OPU62S` | | | bulk modulus; _printed: Bulk modulus_ | 262.6 GPa | | Pure Mo; _alloy: Mo 1_ | experimental | [9] Turchi 2005 | Table I, p. 5, row 2; `ORC-QN65ETGC5M` | | ## Sources Reporting papers the values were read from (a value cited from another work names that work in its row). 1. 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](https://doi.org/10.1016/j.calphad.2024.102665) 2. 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](https://doi.org/10.1016/j.msea.2005.02.037) 3. 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](https://doi.org/10.1016/j.calphad.2009.06.006) 4. 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](https://doi.org/10.1016/j.calphad.2013.08.002) 5. Thermotech Ltd., N. Saunders, The Al-Mo system (aluminum-molybdenum), JPE 18, 370-378 (1997). [doi:10.1007/s11669-997-0063-1](https://doi.org/10.1007/s11669-997-0063-1) 6. 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](https://doi.org/10.1016/0364-5916%2891%2990028-i) 7. 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](https://doi.org/10.1016/j.jallcom.2016.02.251) 8. 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](https://doi.org/10.2298/jmmb190211001h) 9. P. E. A. Turchi, V. Drchal, J. Kudrnovský, C. Colinet, Larry Kaufman, Zi-Kui Liu, Application of\ab initio\and CALPHAD thermodynamics to Mo-Ta-W alloys, Phys. Rev. B 71 (2005). [doi:10.1103/physrevb.71.094206](https://doi.org/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). https://doi.org/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). https://doi.org/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. ```bibtex @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} } ``` --- Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).