# SbZn: enthalpy of formation

> Enthalpy of formation of SbZn: 27 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID.

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

27 accepted literature formation-enthalpy value(s) (experimental 15, model 12); experimental median -12.845 kJ/mol-atom (n = 15); Materials Project -11.964 kJ/mol-atom (mp-aaaaabcz); OQMD -3.464 kJ/mol-atom (oqmd-2031988).

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

## Literature values

Table: Enthalpy of formation of SbZn reported in the literature (27)

| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---:|---|---:|---|---|---|---|---|---|
| -20.011 kJ/mol-atom | SbZn | 804 | experimental | emf | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites DeWitt 1939_ [doi](https://doi.org/10.1021/ja01266a055) | Table 4, p. 4, row 10; `ORC-6KZI7KX5JB.0a3b52` |  |
| -20.011 kJ/mol-atom | SbZn | 804.15 | experimental | EMF | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Seltz 1940_ [doi](https://doi.org/10.1149/1.3521200) | Table 8, p. 14, row 11; `ORC-KGYH6LY3EJ.84a3f9` |  |
| -15.052 kJ/mol-atom | SbZn | 298.15 | experimental | Calorimetry | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites Oelsen 1937_ | Table 4, p. 4, row 12; `ORC-27XO4HPAOZ.560330` |  |
| -15.052 kJ/mol-atom | SbZn | 298.15 | experimental | Calorimetry | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Oelsen 1937_ | Table 8, p. 14, row 2; `ORC-VZTUEMSCRU` |  |
| -14.853 kJ/mol-atom | SbZn | 298.15 | experimental | Vapor | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites Hirayama 1963_ [doi](https://doi.org/10.1149/1.2425680) | Table 4, p. 4, row 6; `ORC-2MDAMARU3A.3ab478` |  |
| -14.853 kJ/mol-atom | SbZn | 298.15 | experimental | Vapor | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Hirayama 1963_ [doi](https://doi.org/10.1149/1.2425680) | Table 8, p. 14, row 3; `ORC-7EXHM5F5PH` |  |
| -12.845 kJ/mol-atom | SbZn | 298.15 | experimental | emf | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites DeWitt 1939_ [doi](https://doi.org/10.1021/ja01266a055) | Table 4, p. 4, row 8; `ORC-5FM66R6W4S.2b6a0c` |  |
| -12.845 kJ/mol-atom | SbZn | 298.15 | experimental | EMF | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Seltz 1940_ [doi](https://doi.org/10.1149/1.3521200) | Table 8, p. 14, row 1; `ORC-O5PVWPM5VG` |  |
| -11.89 kJ/mol-atom | SbZn | 750.15 | experimental | EMF | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Zabdyr 1981_ | Table 8, p. 14, row 9; `ORC-UN32LPDZOH.9644de` |  |
| -11.89 kJ/mol-atom | SbZn | 750 | experimental | emf | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites Zabdyr 1981_ | Table 4, p. 4, row 14; `ORC-UZ5GR3NBH7.4f3489` |  |
| -11.89 kJ/mol-atom | β(SbZn) | 723.15 | experimental |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [3] Liu 2000; _cites Zabdyr 1981_ | Table 2, p. 3, row 11; `ORC-WYL2GD26DJ.21e8e6` |  |
| -10.9 kJ/mol-atom | SbZn | 420.15 | experimental | EMF | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Goryacheva 1997_ | Table 8, p. 14, row 5; `ORC-QB7KEQZ7NP.753ee0` |  |
| -10.9 kJ/mol-atom | SbZn | 420 | experimental | emf | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites Goryacheva 1997_ | Table 4, p. 4, row 2; `ORC-YVLBOQ5WZM.2cc9d4` |  |
| -9.517 kJ/mol-atom ± 0.627 | β(SbZn) | 700.15 | experimental |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [3] Liu 2000; _cites Hultgren 1973_ | Table 2, p. 3, row 12; `ORC-LXX7M4I7II.8ceaee` |  |
| -9.517 kJ/mol-atom | SbZn | 700.15 | experimental | EMF | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022; _cites Hultgren 1978_ | Table 8, p. 14, row 7; `ORC-WP35MO5EGA.5dfe3e` |  |
| -25.086 kJ/mol-atom | SbZn | 804 | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007 | Table 4, p. 4, row 9; `ORC-GJR4EUMWYF.c040bc` |  |
| -24.9572 kJ/mol-atom | SbZn | 804.15 | model | Calculation | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022 | Table 8, p. 14, row 12; `ORC-LUMCSKWV67.d3c06c` |  |
| -15.149 kJ/mol-atom | SbZn | 750 | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007 | Table 4, p. 4, row 13; `ORC-K7LVIQZ7M5.1812cf` |  |
| -15.102 kJ/mol-atom | SbZn | 750.15 | model | Calculation | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022 | Table 8, p. 14, row 10; `ORC-KRTUSQP322.d2235c` |  |
| -11.541 kJ/mol-atom | β(SbZn) |  | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [3] Liu 2000 | Table 2, p. 3, row 10; `ORC-CFKGQIIWYF.4e66c7` |  |
| -11.4879 kJ/mol-atom | SbZn | 298.15 | model | Calculation | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022 | Table 8, p. 14, row 4; `ORC-L5MAOTGUXB.e42c9a` |  |
| -11.4875 kJ/mol-atom | SbZn | 420.15 | model | Calculation | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022 | Table 8, p. 14, row 6; `ORC-ZFD2AE7PNV.b37398` |  |
| -11.459 kJ/mol-atom | SbZn | 298.15 | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007 | Table 4, p. 4, row 7; `ORC-UBYA6L7PJN.34975c` |  |
| -11.455 kJ/mol-atom | SbZn | 420 | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007 | Table 4, p. 4, row 1; `ORC-LAENHZK3Y6.a8b5fd` |  |
| -11.455 kJ/mol-atom | SbZn | 700 | model |  | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007 | Table 4, p. 4, row 3; `ORC-N4ABGBP2DJ.0ae061` |  |
| -11.4395 kJ/mol-atom | SbZn | 700.15 | model | Calculation | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [2] Zhang 2022 | Table 8, p. 14, row 8; `ORC-ZF4IE5PFSW.0ba69c` |  |
| -9.517 kJ/mol-atom | SbZn | 700 | model | Evaluated | [Sb–Zn](https://data.orchid-project.org/systems/SB-ZN.html) | [1] Li 2007; _cites Hulgren 1973_ | Table 4, p. 4, row 4; `ORC-ZHI4RONI5E.0b26c2` |  |

### 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 SbZn

| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---:|---|---:|---:|---|---:|---:|---:|---:|
| -20.011 | kJ/mol-atom |  | 5.000e-4 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -20.011 | kJ/mol-atom |  | 5.000e-4 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -15.052 | kJ/mol-atom |  | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |
| -15.052 | kJ/mol-atom |  | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) |  |  |  | 3.2 |
| -14.853 | kJ/mol-atom |  | 5.000e-4 | 4.2 (kems_vapour, calibrated) |  |  |  | 4.2 |
| -14.853 | kJ/mol-atom |  | 5.000e-4 | 4.2 (kems_vapour, calibrated) |  |  |  | 4.2 |
| -12.845 | kJ/mol-atom |  | 5.000e-4 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -12.845 | kJ/mol-atom |  | 5.000e-4 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -11.89 | kJ/mol-atom |  | 0.005 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -11.89 | kJ/mol-atom |  | 0.005 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -11.89 | kJ/mol-atom |  | 0.005 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -10.9 | kJ/mol-atom |  | 0.05 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -10.9 | kJ/mol-atom |  | 0.05 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -9.517 | kJ/mol-atom | 0.627 | 5.000e-4 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -9.517 | kJ/mol-atom |  | 5.000e-4 | 4.6 (emf, cleaned_below_threshold) |  |  |  | 4.6 |
| -25.086 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -24.9572 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -15.149 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -15.102 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.541 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.4879 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.4875 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.459 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.455 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.455 | kJ/mol-atom |  | 5.000e-4 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -11.4395 | kJ/mol-atom |  | 5.000e-5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -9.517 | 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 SbZn

| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---:|---:|---|---:|---:|---|
| Materials Project | mp-aaaaabcz | -11.964 | -0.123996 | Pbca | 0 | 0 | no |
| OQMD | oqmd-2031988 | -3.464 | -0.0359 | Pbca | 0 | 0 | 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. Jing-Bo Li, Marie-Christine Record, Jean-Claude Tedenac, A thermodynamic assessment of the Sb–Zn system, Journal of Alloys and Compounds 438, 171-177 (2007). [doi:10.1016/j.jallcom.2006.08.035](https://doi.org/10.1016/j.jallcom.2006.08.035)
2. Jiyuan Zhang, Yuan Yuan, A coupled experimental and thermodynamic assessment of the Mg-Bi-Sb and Zn-Bi-Sb ternary system and extrapolate to the Mg-Bi-Zn-Sb system, Thermochimica Acta 716, 179327 (2022). [doi:10.1016/j.tca.2022.179327](https://doi.org/10.1016/j.tca.2022.179327)
3. X. J. Liu, C. P. Wang, I. Ohnuma, R. Kainuma, K. Ishida, Thermodynamic assessment of the phase diagrams of the Cu-Sb and Sb-Zn systems, JPE 21, 432-442 (2000). [doi:10.1361/105497100770339608](https://doi.org/10.1361/105497100770339608)

## 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/).