# P–Si–Zn system

> P–Si–Zn system: 14 accepted literature values (formation 7, phase equilibrium 5, crystal structure 2) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/P-SI-ZN.html · Markdown: https://data.orchid-project.org/systems/P-SI-ZN.md

14 accepted literature values from 1 paper(s) (experimental 8, model 2, DFT 2, unspecified 2); 0 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/P-SI-ZN.json) · [CSV](https://data.orchid-project.org/systems/P-SI-ZN.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#P-SI-ZN) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/P-SI-ZN.html) · [Markdown](https://data.orchid-project.org/systems/P-SI-ZN.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 8 |
| model | 2 |
| DFT | 2 |
| unspecified | 2 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| phase equilibrium | 5 |
| formation | 7 |
| crystal structure | 2 |

## Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from [dft_parity.json](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, P–Si–Zn system (4)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| ZnSiP2 |  | -171.658 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [1] Liu 2016; _cites Buehler 1971_ [doi](https://doi.org/10.1016/0022-0248%2871%2990260-0) | Table 4, p. 6, row 12; `ORC-INE6V6ZXBO.87bbb0` |  |
| ZnSiP2 |  | -153.168 kJ/mol (basis unstated) | 298.15 | model |  |  | [1] Liu 2016 | Table 4, p. 6, row 10; `ORC-RDFZDMBUCK.c3af76` |  |
| ZnSiP2 |  | -108.618 kJ/mol (basis unstated) | 298.15 | DFT |  |  | [1] Liu 2016; _cites Arab 2012_ [doi](https://doi.org/10.1016/j.commatsci.2012.08.012) | Table 4, p. 6, row 13; `ORC-YXKDAN7MUV` |  |
| ZnSiP2 |  | -75.165 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [1] Liu 2016; _cites Korb 1976_ [doi](https://doi.org/10.1002/zaac.19764250313) | Table 4, p. 6, row 11; `ORC-JPGXMPMPY2` |  |

## Other properties

### Phase equilibrium (5)

Table: Phase equilibrium, P–Si–Zn system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase composition |  |  | Zn3P2 + ZnP2 + ZnSiP2; _Zn3P2: P 0.409, Si 0.034, Zn 0.557; ZnP2: P 0.664, Si 0.004, Zn 0.332; ZnSiP2: P 0.513, Si 0.243, Zn 0.244_ | experimental | [1] Liu 2016 | Table 2, p. 5, row 4; `ORC-TBTZFNKYIR` |  |
| Phase composition |  |  | Zn3P2 + ZnP2 + ZnSiP2; _Zn3P2: P 0.442, Si 0.001, Zn 0.557; ZnP2: P 0.681, Si 0.003, Zn 0.315; ZnSiP2: P 0.517, Si 0.242, Zn 0.241_ | experimental | [1] Liu 2016 | Table 2, p. 5, row 5; `ORC-UYRZKGQZDQ` |  |
| Phase composition |  |  | η-Zn + (Si) + ZnSiP2; _η-Zn: P 0.009, Si 0.003, Zn 0.988; (Si): P 0.044, Si 0.929, Zn 0.027; ZnSiP2: P 0.528, Si 0.249, Zn 0.223_ | experimental | [1] Liu 2016 | Table 2, p. 5, row 1; `ORC-OLVBGW5IHV` |  |
| Phase composition |  |  | η-Zn + Zn3P2 + ZnSiP2; _η-Zn: P 0.002, Si 0.001, Zn 0.997; Zn3P2: P 0.435, Si 0.002, Zn 0.563; ZnSiP2: P 0.511, Si 0.241, Zn 0.248_ | experimental | [1] Liu 2016 | Table 2, p. 5, row 3; `ORC-TFXRDETADR` |  |
| Phase composition |  |  | η-Zn + Zn3P2 + ZnSiP2; _η-Zn: P 0.013, Si 0.002, Zn 0.985; Zn3P2: P 0.432, Si 0.002, Zn 0.566; ZnSiP2: P 0.521, Si 0.244, Zn 0.235_ | experimental | [1] Liu 2016 | Table 2, p. 5, row 2; `ORC-WO4R7PNGOX` |  |

### Formation (3)

Table: Formation, P–Si–Zn system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Gibbs energy of formation; _printed: ΔfG298_ | -129.89 kJ/mol (basis unstated) | 298.15 | ZnSiP2; _alloy: Si 0.25, Zn 0.25_ | experimental | [1] Liu 2016; _cites Buehler 1971_ [doi](https://doi.org/10.1016/0022-0248%2871%2990260-0) | Table 4, p. 6, row 12; `ORC-INE6V6ZXBO.f05284` |  |
| Gibbs energy of formation; _printed: ΔfG298_ | -176.593 kJ/mol (basis unstated) | 298.15 | ZnSiP2; _alloy: Si 0.25, Zn 0.25_ | model | [1] Liu 2016 | Table 4, p. 6, row 10; `ORC-RDFZDMBUCK.d34e7e` |  |
| Gibbs energy of formation; _printed: ΔfG298_ | -168.87 kJ/mol (basis unstated) | 298.15 | ZnSiP2; _alloy: Si 0.25, Zn 0.25_ | DFT | [1] Liu 2016; _cites Kumar 2014_ [doi](https://doi.org/10.1016/j.jallcom.2013.08.025) | Table 4, p. 6, row 14; `ORC-WN2Y223KNV` |  |

### Crystal structure (2)

Table: Crystal structure, P–Si–Zn system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 5.4 Å | 298.15 | ZnSiP2; _alloy: Si 0.25, Zn 0.25_ | unspecified | [1] Liu 2016; _cites Madelung 2000_ | Table 1, p. 3, row 7; `ORC-OYOZRPPMIP.3f4901` |  |
| Lattice c | 10.438 Å | 298.15 | ZnSiP2; _alloy: Si 0.25, Zn 0.25_ | unspecified | [1] Liu 2016; _cites Madelung 2000_ | Table 1, p. 3, row 7; `ORC-OYOZRPPMIP.0cc024` |  |

## Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

1. Ya Liu, Bin Zhou, Wei Lv, Changjun Wu, Xuping Su, Jianhua Wang, Experimental investigation and thermodynamic assessment of the Zn–Si–P system, Surface and Coatings Technology 306, 370-377 (2016). [doi:10.1016/j.surfcoat.2016.01.016](https://doi.org/10.1016/j.surfcoat.2016.01.016)

## 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 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); 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; 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).

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_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/).