# AuSb: enthalpy of formation

> Enthalpy of formation of AuSb: 3 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID.

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

3 accepted literature formation-enthalpy value(s) (experimental 3); experimental median -4.351 kJ/mol-atom (n = 3); OQMD -5.168 kJ/mol-atom (oqmd-1105404).

Systems: [Au–Sb](https://data.orchid-project.org/systems/AU-SB.html)

## Literature values

Table: Enthalpy of formation of AuSb reported in the literature (3)

| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---:|---|---:|---|---|---|---|---|---|
| -4.895 kJ/mol-atom | AuSb | 363 | experimental | calorimetrically | [Au–Sb](https://data.orchid-project.org/systems/AU-SB.html) | [1] Chevalier 1989; _cites Biltz 1934_ | p. 3; `ORC-2MQGSC5SZ6.e5993b` | “The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever \[16\], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa \[17\], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. \[18\], T = 363 K, AH = - 4895 J (g at.))'.” |
| -4.351 kJ/mol-atom | AuSb | 273 | experimental | calorimetrically | [Au–Sb](https://data.orchid-project.org/systems/AU-SB.html) | [1] Chevalier 1989; _cites Jena 1968_ | p. 3; `ORC-2MQGSC5SZ6.666712` | “The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever \[16\], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa \[17\], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. \[18\], T = 363 K, AH = - 4895 J (g at.))'.” |
| -3.138 kJ/mol-atom | AuSb | 723 | experimental | calorimetrically | [Au–Sb](https://data.orchid-project.org/systems/AU-SB.html) | [1] Chevalier 1989; _cites Kleppa 1956_ [doi](https://doi.org/10.1021/j150541a006) | p. 3; `ORC-2MQGSC5SZ6.e3f181` | “The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever \[16\], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa \[17\], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. \[18\], T = 363 K, AH = - 4895 J (g at.))'.” |

### 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 AuSb

| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---:|---|---:|---:|---|---:|---:|---:|---:|
| -4.895 | kJ/mol-atom |  | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |
| -4.351 | kJ/mol-atom |  | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |
| -3.138 | kJ/mol-atom |  | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |

## 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 AuSb

| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---:|---:|---|---:|---:|---|
| OQMD | oqmd-1105404 | -5.168 | -0.053566 | Fm-3m | 0.2764 | 0.0029 | yes |

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. Pierre-Yves Chevalier, A thermodynamic evaluation of the Au-Sb and Au-Tl systems, Thermochimica Acta 155, 211-225 (1989). [doi:10.1016/0040-6031(89)87147-3](https://doi.org/10.1016/0040-6031%2889%2987147-3)

## 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/).