# Pd4S: enthalpy of formation > Enthalpy of formation of Pd4S: 5 literature value(s) with sources, pages and quotes, from ORCHID. HTML: https://data.orchid-project.org/compounds/Pd4S.html · Markdown: https://data.orchid-project.org/compounds/Pd4S.md 5 accepted literature formation-enthalpy value(s) (experimental 4, DFT 1). Systems: [Pd–S](https://data.orchid-project.org/systems/PD-S.html) ## Literature values Table: Enthalpy of formation of Pd4S reported in the literature (5) | Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote | |---:|---|---:|---|---|---|---|---|---| | -25.74 per mol-atom | Pd4S | 716.5 | experimental | | [Pd–S](https://data.orchid-project.org/systems/PD-S.html) | [1] Hu 2010; _cites Niwa 1962_ [doi](https://doi.org/10.1246/bcsj.35.1543) | Table 2, p. 2, row 3; `ORC-C2W6JISBMP.163b5f` | | | -24.328 per mol-atom | Pd4S | 298.15 | experimental | | [Pd–S](https://data.orchid-project.org/systems/PD-S.html) | [1] Hu 2010; _cites Taylor 1985_ [doi](https://doi.org/10.1007/bf02657499) | Table 2, p. 2, row 2; `ORC-2QKM5XN75S.80269d` | | | -19.84 per mol-atom ± 2.24 | Pd4S | 298.15 | experimental | calorimetry | [Pd–S](https://data.orchid-project.org/systems/PD-S.html) | [1] Hu 2010; _cites Zubkov 1998_ [doi](https://doi.org/10.1006/jcht.1997.0328) | Table 2, p. 2, row 1; `ORC-KKIH2OYVOY.015691` | | | -12.7 per mol-atom | Pd4S | 298.15 | experimental | | [Pd–S](https://data.orchid-project.org/systems/PD-S.html) | [1] Hu 2010; _cites Niwa 1962_ [doi](https://doi.org/10.1246/bcsj.35.1543) | Table 2, p. 2, row 4; `ORC-PEXVKXTPIT.a450ed` | | | -22.8 per mol-atom | Pd4S | 0 | DFT | first principles (PBEsol) | [Pd–S](https://data.orchid-project.org/systems/PD-S.html) | [1] Hu 2010 | Table 2, p. 2, row 5; `ORC-IRZ5YG6JCN.552710` | | ### 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 Pd4S | Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective | |---:|---|---:|---:|---|---:|---:|---:|---:| | -25.74 | per mol-atom | | 0.005 | unit 'per mol-atom' not convertible to kJ/mol-atom | | | | unit 'per mol-atom' not convertible to kJ/mol-atom | | -24.328 | per mol-atom | | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | | | | unit 'per mol-atom' not convertible to kJ/mol-atom | | -19.84 | per mol-atom | 2.24 | 0.005 | unit 'per mol-atom' not convertible to kJ/mol-atom | | | | 2.24 | | -12.7 | per mol-atom | | 0.05 | unit 'per mol-atom' not convertible to kJ/mol-atom | | | | unit 'per mol-atom' not convertible to kJ/mol-atom | | -22.8 | per mol-atom | | 0.05 | unit 'per mol-atom' not convertible to kJ/mol-atom | | | | unit 'per mol-atom' not convertible to kJ/mol-atom | ## Sources 1. Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010). [doi:10.1016/j.calphad.2010.07.002](https://doi.org/10.1016/j.calphad.2010.07.002) ## 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/).