# Mg2Pb: enthalpy of formation > Enthalpy of formation of Mg2Pb: 20 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID. HTML: https://data.orchid-project.org/compounds/Mg2Pb.html · Markdown: https://data.orchid-project.org/compounds/Mg2Pb.md 20 accepted literature formation-enthalpy value(s) (experimental 10, DFT 10); experimental median -5.847 kJ/mol-atom (n = 10); Materials Project -5.451 kJ/mol-atom (mp-aaaaberc); OQMD -6.083 kJ/mol-atom (oqmd-17637). Systems: [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) ## Literature values Table: Enthalpy of formation of Mg2Pb reported in the literature (20) | Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote | |---:|---|---:|---|---|---|---|---|---| | -5.9 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites at 943 K_ | Table 3, p. 4, row 11; `ORC-XSC6EPABZQ.4d8b85` | | | -5.89525 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites at 943 K_ | Table 3, p. 4, row 11; `ORC-XSC6EPABZQ.56a13f` | | | -5.855 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Dobovisek 1965_ | Table 3, p. 4, row 9; `ORC-6NMZMDWEIZ.6c25ee` | | | -5.855 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Seith 1937_ | Table 3, p. 4, row 7; `ORC-BRBEV2CMMI.7deb20` | | | -5.84701 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Dobovisek 1965_ | Table 3, p. 4, row 9; `ORC-6NMZMDWEIZ.e16ce5` | | | -5.84701 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Seith 1937_ | Table 3, p. 4, row 7; `ORC-BRBEV2CMMI.f3b1dd` | | | -5.533 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Dobovisek 1965_ | Table 3, p. 4, row 10; `ORC-UN5ZR3DH4R.a5aded` | | | -5.52861 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Dobovisek 1965_ | Table 3, p. 4, row 10; `ORC-UN5ZR3DH4R.9ee812` | | | -5.5 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Grethe 1959_ | Table 3, p. 4, row 8; `ORC-VASZEU4BTD.47e16d` | | | -5.49966 kJ/mol-atom | Mg2Pb | | experimental | experimental, method not specified in reporting paper | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Grethe 1959_ | Table 3, p. 4, row 8; `ORC-VASZEU4BTD.11e7a0` | | | -11.6747 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites JARVIS_ | Table 3, p. 4, row 13; `ORC-BWSJBFCMPP.02d7e8` | | | -11.674 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites JARVIS_ | Table 3, p. 4, row 13; `ORC-BWSJBFCMPP.a54de9` | | | -6.13647 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Automatic_ | Table 3, p. 4, row 15; `ORC-ZUMCL4UJPS.5bc953` | | | -6.136 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Automatic_ | Table 3, p. 4, row 15; `ORC-ZUMCL4UJPS.990fb4` | | | -6.07858 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites The_ | Table 3, p. 4, row 14; `ORC-3UZCHZNEXO.d73652` | | | -6.078 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites The_ | Table 3, p. 4, row 14; `ORC-3UZCHZNEXO.73fa6b` | | | -5.978 kJ/mol-atom | Mg2Pb | 0 | DFT | QE/GGA PBESol | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021 | Table 3, p. 4, row 6; `ORC-MEFBATBWAD.aa99c6` | | | -5.97244 kJ/mol-atom | Mg2Pb | 0 | DFT | QE/GGA PBESol | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021 | Table 3, p. 4, row 6; `ORC-MEFBATBWAD.d41c01` | | | -4.24535 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Materials_ | Table 3, p. 4, row 12; `ORC-52NEUIMXXM.75397e` | | | -4.245 kJ/mol-atom | Mg2Pb | 0 | DFT | VASP/GGA PBE PAW | [Mg–Pb](https://data.orchid-project.org/systems/MG-PB.html) | [1] Dębski 2021; _cites Materials_ | Table 3, p. 4, row 12; `ORC-52NEUIMXXM.67b2a3` | | ### 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 Mg2Pb | Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective | |---:|---|---:|---:|---|---:|---:|---:|---:| | -5.9 | kJ/mol-atom | | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.89525 | kJ/mol-atom | | 0.004824 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.855 | kJ/mol-atom | | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.855 | kJ/mol-atom | | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.84701 | kJ/mol-atom | | 0.004824 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.84701 | kJ/mol-atom | | 0.004824 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.533 | kJ/mol-atom | | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.52861 | kJ/mol-atom | | 0.004824 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.5 | kJ/mol-atom | | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -5.49966 | kJ/mol-atom | | 0.04824 | 4.1 (experimental_unspecified, cleaned_below_threshold) | | | | 4.1 | | -11.6747 | kJ/mol-atom | | 0.04824 | 8.395 (dft, calibrated) | | | | 8.395 | | -11.674 | kJ/mol-atom | | 5.000e-5 | 8.395 (dft, calibrated) | | | | 8.395 | | -6.13647 | kJ/mol-atom | | 0.004824 | 8.395 (dft, calibrated) | | | | 8.395 | | -6.136 | kJ/mol-atom | | 5.000e-5 | 8.395 (dft, calibrated) | | | | 8.395 | | -6.07858 | kJ/mol-atom | | 0.04824 | 8.395 (dft, calibrated) | | | | 8.395 | | -6.078 | kJ/mol-atom | | 5.000e-5 | 8.395 (dft, calibrated) | | | | 8.395 | | -5.978 | kJ/mol-atom | | 5.000e-5 | 8.395 (dft, calibrated) | | | | 8.395 | | -5.97244 | kJ/mol-atom | | 0.004824 | 8.395 (dft, calibrated) | | | | 8.395 | | -4.24535 | kJ/mol-atom | | 0.04824 | 8.395 (dft, calibrated) | | | | 8.395 | | -4.245 | kJ/mol-atom | | 5.000e-5 | 8.395 (dft, calibrated) | | | | 8.395 | ## 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 Mg2Pb | Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical | |---|---|---:|---:|---|---:|---:|---| | Materials Project | mp-aaaaberc | -5.451 | -0.056501 | Fm-3m | 0 | 0 | no | | OQMD | oqmd-17637 | -6.083 | -0.063042 | Fm-3m | 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. A. Dębski, W. Gierlotka, S. Terlicka, W. Gąsior, On the Mg-Pb system. Calorimetric studies and thermodynamic calculations, Journal of Alloys and Compounds 861, 158396 (2021). [doi:10.1016/j.jallcom.2020.158396](https://doi.org/10.1016/j.jallcom.2020.158396) ## 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/).