# MoNi: enthalpy of formation > Enthalpy of formation of MoNi: 15 literature value(s) with sources, pages and quotes, from ORCHID. HTML: https://data.orchid-project.org/compounds/MoNi.html · Markdown: https://data.orchid-project.org/compounds/MoNi.md 15 accepted literature formation-enthalpy value(s) (DFT 15). Systems: [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) ## Literature values Table: Enthalpy of formation of MoNi reported in the literature (15) | Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote | |---:|---|---:|---|---|---|---|---|---| | -6.405 kJ/mol (basis unstated) | Ni₀.₅₀Mo₀.₅₀ | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 32; `ORC-BE5RUGJH4N.d312ce` | | | -6.405 kJ/mol (basis unstated) | Ni0.50Mo0.50 | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 32; `ORC-BE5RUGJH4N.feed25` | | | -4.49 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 35; `ORC-RDISTNJK7T.1a81ea` | | | -4.49 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 35; `ORC-RDISTNJK7T.4d9a5f` | | | -2.8 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 36; `ORC-53SXQSON2H.28b793` | | | -2.8 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 36; `ORC-53SXQSON2H.37a71e` | | | -2.24 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 34; `ORC-EPSGJXOM64.68a7d0` | | | -2.24 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 34; `ORC-EPSGJXOM64.a84a0b` | | | -0.89 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 37; `ORC-BNPBVC42CD.1f2ca1` | | | -0.89 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 37; `ORC-BNPBVC42CD.22aa42` | | | -0.1 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 38; `ORC-MT2XVTSPC4.72c37f` | | | -0.1 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 38; `ORC-MT2XVTSPC4.8f86db` | | | 1.98 kJ/mol (basis unstated) | δ-NiMo | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 39; `ORC-XMIVKB2HUB.ad1175` | | | 1.98 kJ/mol (basis unstated) | δ-NiMo | | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 39; `ORC-XMIVKB2HUB.ec7c05` | | | 10.45 kJ/mol (basis unstated) | Ni₀.₅₀Mo₀.₅₀ | 0 | DFT | first-principles | [Mo–Ni](https://data.orchid-project.org/systems/MO-NI.html) | [1] Zhou 2005 | Table 2, p. 4, row 29; `ORC-MZU67UQKLF.638a01` | | ### 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 MoNi | Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective | |---:|---|---:|---:|---|---:|---:|---:|---:| | -6.405 | kJ/mol (basis unstated) | | 5.000e-4 | 3.929 (dft, calibrated) | | | | 3.929 | | -6.405 | kJ/mol (basis unstated) | | 5.000e-4 | 3.929 (dft, calibrated) | | | | 3.929 | | -4.49 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -4.49 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -2.8 | kJ/mol (basis unstated) | | 0.05 | 7.858 (dft, calibrated) | | | | 7.858 | | -2.8 | kJ/mol (basis unstated) | | 0.05 | 7.858 (dft, calibrated) | | | | 7.858 | | -2.24 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -2.24 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -0.89 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -0.89 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | -0.1 | kJ/mol (basis unstated) | | 0.05 | 7.858 (dft, calibrated) | | | | 7.858 | | -0.1 | kJ/mol (basis unstated) | | 0.05 | 7.858 (dft, calibrated) | | | | 7.858 | | 1.98 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | 1.98 | kJ/mol (basis unstated) | | 0.005 | 7.858 (dft, calibrated) | | | | 7.858 | | 10.45 | kJ/mol (basis unstated) | | 0.005 | 3.929 (dft, calibrated) | | | | 3.929 | ## Sources 1. 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) ## 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=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).