# MoSi2: enthalpy of formation

> Enthalpy of formation of MoSi2: 24 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID.

HTML: https://data.orchid-project.org/compounds/MoSi2.html · Markdown: https://data.orchid-project.org/compounds/MoSi2.md

24 accepted literature formation-enthalpy value(s) (experimental 7, model 17); experimental median -43.9 kJ/mol-atom (n = 7); Materials Project -48.078 kJ/mol-atom (mp-aaaaadvs); OQMD -47.919 kJ/mol-atom (oqmd-17715).

Systems: [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html)

## Literature values

Table: Enthalpy of formation of MoSi2 reported in the literature (24)

| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---:|---|---:|---|---|---|---|---|---|
| -47.4 kJ/mol-atom ± 1 | MoSi2 | 298.15 | experimental | Direct synthesis calorimetry | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [1] Czerny 2024; _cites Maslov 1978_ | Table 8, p. 10, row 39; `ORC-WWSFIW7E23.0137c8` |  |
| -45.7 kJ/mol-atom ± 1.5 | MoSi2 | 298.15 | experimental | Combustion calorimetry | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [1] Czerny 2024; _cites OHare 1993_ | Table 8, p. 10, row 30; `ORC-2SYIOAGU2L.f6d5c3` |  |
| -43.9 kJ/mol-atom ± 3 | MoSi2 | 298.15 | experimental |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Chart 1974_ [doi](https://doi.org/10.1179/msc.1974.8.1.344) | Table 2, p. 6, row 20; `ORC-CALAB32J4W.063ea2` |  |
| -43.9 kJ/mol-atom ± 3 | MoSi2 | 298.15 | experimental |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Chart 1973_ | Table 2, p. 6, row 21; `ORC-M3O5C3JLLJ.21b7b6` |  |
| -43.9 kJ/mol-atom ± 3 | MoSi2 | 298.15 | experimental | Exp | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Chart 1974_ [doi](https://doi.org/10.1179/msc.1974.8.1.344) | Table 2, p. 6, row 2; `ORC-VRBIJS44FV.85b551` |  |
| -43.76 kJ/mol-atom ± 2.09 | MoSi2 | 298.15 | experimental |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Hultgren 1973_ | Table 2, p. 6, row 19; `ORC-GDBNGL4GFO.2310c6` |  |
| -39.609 kJ/mol-atom | MoSi2 | 298.15 | experimental |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Barin 1989_ | Table 2, p. 6, row 22; `ORC-WOU62CZIF5.598a21` |  |
| -46.5157 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Bai 1999_ | Table 2, p. 6, row 26; `ORC-72UPOQ75NO.768c43` |  |
| -46.5157 kJ/mol-atom | MoSi2 | 298.15 | model | Assessed | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Vahlas 1989_ [doi](https://doi.org/10.1016/0364-5916%2889%2990007-2) | Table 2, p. 6, row 6; `ORC-KPVD2C4CKW.f633e5` |  |
| -46.5157 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Vahlas 1989_ [doi](https://doi.org/10.1016/0364-5916%2889%2990007-2) | Table 2, p. 6, row 24; `ORC-LF6NYJ2HQH.d07a64` |  |
| -46.5157 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Bai 1999_ | Table 2, p. 6, row 8; `ORC-VGX23NVNQZ.064b0c` |  |
| -45.7 kJ/mol-atom ± 1.5 | MoSi2 | 298.15 | model | Assessment | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [1] Czerny 2024; _cites Costa 1994_ | Table 8, p. 10, row 27; `ORC-WYIEBEJVXR.d4f4a2` |  |
| -45.6667 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Costa 1994_ | Table 2, p. 6, row 7; `ORC-GFO44IP4CM.069155` |  |
| -45.6667 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Costa 1994_ | Table 2, p. 6, row 25; `ORC-TZSK5OX2MB.36ea16` |  |
| -45.156 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000 | Table 2, p. 6, row 27; `ORC-M3CUEYDRTC.1e7d54` |  |
| -45.156 kJ/mol-atom | MoSi2 | 298.15 | model | CALPHAD | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Liu 2000_ [doi](https://doi.org/10.1016/s0966-9795%2800%2900068-6) | Table 2, p. 6, row 9; `ORC-OSSPFCUL4M.c51cef` |  |
| -43.9 kJ/mol-atom ± 3 | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Chart 1973_ | Table 2, p. 6, row 3; `ORC-D6DSJ4DWSR.a2b5c7` |  |
| -43.816 kJ/mol-atom | MoSi2 | 298.15 | model | CALPHAD | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010 | Table 2, p. 6, row 10; `ORC-C3QZAHPECJ.38ad8e` |  |
| -43.8 kJ/mol-atom | MoSi2 | 298.15 | model | Assessment | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [1] Czerny 2024; _cites Geng 2010_ | Table 8, p. 10, row 14; `ORC-NOI3Q52DJW.656260` |  |
| -43.76 kJ/mol-atom ± 2.09 | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Hultgren 1973_ | Table 2, p. 6, row 1; `ORC-FVEUPZLTEK.897053` |  |
| -43.7 kJ/mol-atom | MoSi2 | 298.15 | model | Assessment | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [1] Czerny 2024 | Table 8, p. 10, row 3; `ORC-QWWIQ6RGII` |  |
| -42.53 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [2] Liu 2000; _cites Kaufman 1997_ | Table 2, p. 6, row 23; `ORC-7QWT3BDRW4.5632f2` |  |
| -42.53 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Kaufman 1997_ | Table 2, p. 6, row 5; `ORC-WHSRVVJRMD.e1f626` |  |
| -39.609 kJ/mol-atom | MoSi2 | 298.15 | model |  | [Mo–Si](https://data.orchid-project.org/systems/MO-SI.html) | [3] Geng 2010; _cites Barin 1989_ | Table 2, p. 6, row 4; `ORC-QA72M4QXDT.4c6e25` |  |

### Uncertainty budget

Components kept separate, in the value's unit (literature [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md), [UNCERTAINTY_CALIBRATION.md](https://data.orchid-project.org/literature/UNCERTAINTY_CALIBRATION.md)): effective = max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter). The method floor is the robust between-study scatter of the method class in ORCHID (calibrated) or a documented prior; printed values and printed uncertainties are unchanged.

Table: Uncertainty budget of the literature values of MoSi2

| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---:|---|---:|---:|---|---:|---:|---:|---:|
| -47.4 | kJ/mol-atom | 1 | 0.05 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |
| -45.7 | kJ/mol-atom | 1.5 | 0.05 | 1 (combustion_calorimetry, cleaned_below_threshold) |  |  |  | 1.5 |
| -43.9 | kJ/mol-atom | 3 | 0.05 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -43.9 | kJ/mol-atom | 3 | 0.05 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -43.9 | kJ/mol-atom | 3 | 0.05 | 4.1 (experimental_unspecified, cleaned_below_threshold) |  |  |  | 4.1 |
| -43.76 | kJ/mol-atom | 2.09 | 0.005 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -39.609 | kJ/mol-atom |  | 5.000e-4 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -46.5157 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -46.5157 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -46.5157 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -46.5157 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -45.7 | kJ/mol-atom | 1.5 | 0.05 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -45.6667 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -45.6667 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -45.156 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -45.156 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -43.9 | kJ/mol-atom | 3 | 0.05 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -43.816 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -43.8 | kJ/mol-atom |  | 0.05 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -43.76 | kJ/mol-atom | 2.09 | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -43.7 | kJ/mol-atom |  | 0.05 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -42.53 | kJ/mol-atom |  | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -42.53 | kJ/mol-atom |  | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -39.609 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |

## DFT formation energies

Lowest-energy entries at this composition. Materials Project and OQMD use different energy references and are never averaged. 1 eV/atom = 96.485 kJ/mol-atom.

Table: DFT formation energy of MoSi2

| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---:|---:|---|---:|---:|---|
| Materials Project | mp-aaaaadvs | -48.078 | -0.498296 | I4/mmm | -0 | -0 | no |
| OQMD | oqmd-17715 | -47.919 | -0.496652 | I4/mmm | 0 | 0 | no |

DFT sources: A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002. [doi:10.1063/1.4812323](https://doi.org/10.1063/1.4812323) (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501-1509; S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010. [doi:10.1007/s11837-013-0755-4](https://doi.org/10.1007/s11837-013-0755-4) (CC BY 4.0); 

## Sources

1. Andreas Klaus Czerny, Wenhao Ma, Clemens Simon Hausner, Peter Franke, Magnus Rohde, Hans Jürgen Seifert, Thermodynamic Assessment of the Mo–Si System, Adv Eng Mater 26 (2024). [doi:10.1002/adem.202302085](https://doi.org/10.1002/adem.202302085)
2. Y Liu, G Shao, P Tsakiropoulos, Thermodynamic reassessment of the Mo–Si and Al–Mo–Si systems, Intermetallics 8, 953-962 (2000). [doi:10.1016/s0966-9795(00)00068-6](https://doi.org/10.1016/s0966-9795%2800%2900068-6)
3. Tai Geng, Changrong Li, Xinqing Zhao, Huibin Xu, Zhenmin Du, Cuiping Guo, Thermodynamic assessment of the Nb–Si–Mo system, Calphad 34, 363-376 (2010). [doi:10.1016/j.calphad.2010.07.003](https://doi.org/10.1016/j.calphad.2010.07.003)

## 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-Parity: DFT-vs-experiment formation-enthalpy benchmark (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735943
- 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); 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); G. Kim, S. V. Meschel, P. Nash, W. Chen, Experimental formation enthalpies for intermetallic phases and other inorganic compounds, Scientific Data 4 (2017) 170162, https://doi.org/10.1038/sdata.2017.162; 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.

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_dft_benchmark_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735943},
  url       = {https://doi.org/10.5281/zenodo.23735943},
  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=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).