# Fe–Sn–Zr system

> Fe–Sn–Zr system: 41 accepted literature values (mixing / partial 25, formation 12, phase equilibrium 4) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/FE-SN-ZR.html · Markdown: https://data.orchid-project.org/systems/FE-SN-ZR.md

41 accepted literature values from 1 paper(s) (model 37, unspecified 4); 0 calculated phase diagram(s).

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

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| model | 37 |
| unspecified | 4 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| phase equilibrium | 4 |
| formation | 12 |
| mixing / partial | 25 |

## 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, Fe–Sn–Zr system (12)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Fe17.39Sn43.47Zr39.13 (X'') |  | -41.28 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 12; `ORC-NBLT7AP3B4.7dde87` |  |
| Fe17.39Sn43.47Zr39.13 (X″) |  | -39.86 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 5; `ORC-RBF5YVJRQV.0c0e4b` |  |
| Fe17.65Sn39.22Zr43.13 (X') |  | -47.605 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 6; `ORC-ZDZIQUF5PY.44008b` |  |
| Fe36.36Sn36.36Zr27.27 (N) |  | -28.97 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 1; `ORC-FGGR5YPQIG.fcc76e` |  |
| Fe36.36Sn36.36Zr27.27 (N) |  | -27.623 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 1; `ORC-FGGR5YPQIG.58f68f` |  |
| Fe56.24Sn28.13Zr15.63 (Y) |  | -18.146 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 7; `ORC-3VRZ334DZB.326221` |  |
| Fe6Sn6Zr |  | -8.94 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 3; `ORC-ZJNRBQ6XBM.90555d` |  |
| Fe6Sn6Zr |  | -8.789 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 3; `ORC-ZJNRBQ6XBM.7c0b68` |  |
| FeSn2Zr6 (θ) |  | -40.881 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 9; `ORC-ZGM5L37KI2` |  |
| FeSn2Zr6 (θ) |  | -39.437 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 2; `ORC-ZNA34RZSZL.226c2e` |  |
| Zr5Sn2.3Fe0.7 |  | -41.657 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 4; `ORC-PMX6ZQZG45.f9cb6d` |  |
| Zr5Sn2.3Fe0.7 |  | -40.035 kJ/mol-atom |  | model |  |  | [1] Lafaye 2020 | Table 7, p. 8, row 4; `ORC-PMX6ZQZG45.a36290` |  |

## Other properties

### Phase equilibrium (4)

Table: Phase equilibrium, Fe–Sn–Zr system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase composition |  | 1273.15 | W5Si3 + Mn5Si3 + ?; _W5Si3: Fe 0.088, Sn 0.306, Zr 0.606; Mn5Si3: Fe 0.005, Sn 0.392, Zr 0.603; ?: Fe 0.669, Sn 0.002, Zr 0.329_ | unspecified | [1] Lafaye 2020 | Table 6, p. 8, row 4; `ORC-6NJX66YJNA` |  |
| Phase composition |  | 1273.15 | W5Si3 + Mn5Si3 + ?; _W5Si3: Fe 0.093, Sn 0.283, Zr 0.624; Mn5Si3: Fe 0.004, Sn 0.377, Zr 0.619; ?: Fe 0.66, Sn 0.002, Zr 0.338_ | unspecified | [1] Lafaye 2020 | Table 6, p. 8, row 3; `ORC-IXHIXMVN6R` |  |
| Phase composition |  | 1273.15 | W5Si3 + Mn5Si3 + ?; _W5Si3: Fe 0.093, Sn 0.293, Zr 0.614; Mn5Si3: Fe 0.012, Sn 0.387, Zr 0.601; ?: Fe 0.664, Sn 0.002, Zr 0.334_ | unspecified | [1] Lafaye 2020 | Table 6, p. 8, row 2; `ORC-UFXP7NLVTC` |  |
| Phase composition |  | 1623.15 | W5Si3; _W5Si3: Fe 0.092, Sn 0.301, Zr 0.607_ | unspecified | [1] Lafaye 2020 | Table 6, p. 8, row 1; `ORC-PEDOZ3MFJW` |  |

### Mixing / partial (25)

Table: Mixing / partial, Fe–Sn–Zr system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Enthalpy of mixing; _printed: ΔHmix_ | 2.34 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 10; `ORC-4TW5PNOZHE` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 15.07 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 7; `ORC-B3SCSW4KNN` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 5.12 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 22; `ORC-B3XXG7NQRU` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 9.47 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 23; `ORC-E3CPLXLQS7` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 4.5 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 9; `ORC-IRP2XICJ3C` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 1.81 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 25; `ORC-NQDJNRX5N7` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 12.81 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 8; `ORC-SOACHA625O` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 7.71 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 6; `ORC-SSGFRO32HN` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 8.19 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 24; `ORC-TIWIPECBDQ` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 2.6 kJ/mol-atom |  | bcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 21; `ORC-UNV2JRH5RL` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 2.51 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 16; `ORC-A6O63W4UCO` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 3.08 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 20; `ORC-BLMVG2U74F` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 7.75 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 18; `ORC-CY4UO27EHM` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 1.91 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 5; `ORC-MO6Y3N7QIA` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 5.02 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 1; `ORC-ONPZCH4VSA` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 5.94 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 19; `ORC-TALGYHXX67` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 11.88 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 2; `ORC-TNZR7JRSJB` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 8.11 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 4; `ORC-VHWBL3X4S3` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 14.02 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 3; `ORC-Y5ZK3DUKA6` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 5.06 kJ/mol-atom |  | fcc | model | [1] Lafaye 2020 | Table 3, p. 5, row 17; `ORC-ZUYA6TLZHS` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 5.05 kJ/mol-atom |  | hcp | model | [1] Lafaye 2020 | Table 3, p. 5, row 11; `ORC-E3AEM4SHD2` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 9.76 kJ/mol-atom |  | hcp | model | [1] Lafaye 2020 | Table 3, p. 5, row 13; `ORC-E5GM6SCGVL` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 4.21 kJ/mol-atom |  | hcp | model | [1] Lafaye 2020 | Table 3, p. 5, row 14; `ORC-FXTHU26PSE` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 11.26 kJ/mol-atom |  | hcp | model | [1] Lafaye 2020 | Table 3, p. 5, row 12; `ORC-JQJPYVBUFH` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | 1.52 kJ/mol-atom |  | hcp | model | [1] Lafaye 2020 | Table 3, p. 5, row 15; `ORC-MUDJFRNS24` |  |

## Sources

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

1. Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020). [doi:10.1016/j.jallcom.2019.153200](https://doi.org/10.1016/j.jallcom.2019.153200)

## 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/).