# Y–Zr system

> Y–Zr system: 10 accepted literature values (invariant reaction 9, activity / EMF / Gibbs energy 1) and 3 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

10 accepted literature values from 2 paper(s) (experimental 6, model 1, unspecified 3); 3 calculated phase diagram(s). 44 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: [JSON](https://data.orchid-project.org/literature/systems/Y-ZR.json) · [CSV](https://data.orchid-project.org/systems/Y-ZR.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#Y-ZR) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#Y-ZR/YZr-09He.json) · [phases (4)](https://data.orchid-project.org/phases/pages/Y-ZR.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/Y-ZR.html) · [Markdown](https://data.orchid-project.org/systems/Y-ZR.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 6 |
| model | 1 |
| unspecified | 3 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 9 |
| activity / EMF / Gibbs energy | 1 |

## Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Table: Assessments with a calculated phase diagram

| TDB file | Assessment | SHA-256 | Links |
|---|---|---|---|
| YZr-09He.tdb | X.C. He, H.S. Liu, J. Alloys Compd., 475, 245-51(2009). [doi:10.1016/j.jallcom.2008.07.144](https://doi.org/10.1016/j.jallcom.2008.07.144) | `91a0a0fad9c17ef4ee93417021d7fbc20d1b2a7a6d6b1eb0e434ed50a571dec5` | [viewer](https://orchid-project.org/phase-diagrams/#Y-ZR/YZr-09He.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/YZr-09He.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/YZr-09He.json) |
| YZr-10Bu.tdb | M.J. Bu, P.S. Wang, H.H. Xu, S.H. Liu, C.S. Shu, Y. Du, F.S. Pan, A.T. Tang, J. Min. Metall. B, 46, 181-92(2010). [doi:10.2298/JMMB1002181B](https://doi.org/10.2298/JMMB1002181B) | `9ed09585bcfb5315b537bae985be7e3298b63f716e6617f885b1bb05337e63c4` | [viewer](https://orchid-project.org/phase-diagrams/#Y-ZR/YZr-10Bu.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/YZr-10Bu.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/YZr-10Bu.json) |
| YZr-97Fla-LB.tdb | H. Flandorfer, J. Groebner, A. Stamou, N. Hassiotis, A. Saccone, P. Rogl, R. Wouters, H. Seifert, D. Maccio, R. Ferro, G. Haidemenopoulus, L. Delaey, G. Effenberg, Z. Metallkd., 88, 529-38(1997). [doi:10.3139/ijmr-1997-0099](https://doi.org/10.3139/ijmr-1997-0099) | `67e490b92eec3d7f045018270663a398fc72387fee753ca0f7c3d7c571f9dd31` | [viewer](https://orchid-project.org/phase-diagrams/#Y-ZR/YZr-97Fla-LB.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/YZr-97Fla-LB.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/YZr-97Fla-LB.json) |

Table: Calculated three-phase invariants (model, mole fraction of the second component)

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| YZr-09He.tdb | 1661.26 | BCC_A2#2 (x(Zr) 0.13985) + LIQUID (x(Zr) 0.39552) + BCC_A2 (x(Zr) 0.96359) |
| YZr-09He.tdb | 1442.88 | HCP_A3 (x(Zr) 0.01776) + BCC_A2 (x(Zr) 0.10523) + BCC_A2#2 (x(Zr) 0.97748) |
| YZr-09He.tdb | 1134.94 | HCP_A3#2 (x(Zr) 0.00565) + BCC_A2 (x(Zr) 0.99262) + HCP_A3 (x(Zr) 0.99435) |
| YZr-10Bu.tdb | 1755.42 | BCC_A2 (x(Zr) 0.00455) + HCP_A3 (x(Zr) 0.00538) + LIQUID (x(Zr) 0.02259) |
| YZr-10Bu.tdb | 1589.25 | HCP_A3 (x(Zr) 0.02486) + LIQUID (x(Zr) 0.43657) + BCC_A2 (x(Zr) 0.98449) |
| YZr-10Bu.tdb | 1150.52 | HCP_A3#2 (x(Zr) 0.00567) + HCP_A3 (x(Zr) 0.99433) + BCC_A2 (x(Zr) 0.99878) |
| YZr-97Fla-LB.tdb | 1660.9 | BCC_A2#2 (x(Zr) 0.14129) + LIQUID (x(Zr) 0.40411) + BCC_A2 (x(Zr) 0.96464) |
| YZr-97Fla-LB.tdb | 1462.28 | HCP_A3 (x(Zr) 0.0172) + BCC_A2 (x(Zr) 0.09721) + BCC_A2#2 (x(Zr) 0.97977) |
| YZr-97Fla-LB.tdb | 1140.42 | HCP_A3#2 (x(Zr) 0.0054) + HCP_A3 (x(Zr) 0.9946) + BCC_A2 (x(Zr) 0.99512) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/Y/Y-ZR.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/Y/Y-ZR.json) · [CALPHAD hull YZr-09He](https://data.orchid-project.org/hulls/calphad-sgte/Y/Y-ZR--YZr-09He.json) · [CALPHAD hull YZr-97Fla-LB](https://data.orchid-project.org/hulls/calphad-sgte/Y/Y-ZR--YZr-97Fla-LB.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Y–Zr system (9)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1763.15 | (βY) + L = (αY) |  | experimental | [1] Bu 2010; _cites Love 1960_ | Table 6, p. 9, row 1; `ORC-JXUF2LTWWA` |  |
| 1754.15 | (βY) + L = (αY) |  | unspecified | [1] Bu 2010 | Table 6, p. 9, row 2; `ORC-F2RXZRYY5K` |  |
| 1598.15 | eutectic: L = (βZr) + (αY) |  | experimental | [1] Bu 2010; _cites Love 1960_ | p. 4; `ORC-IEEAMIDFTE` | “The eutectic reaction L = (βZr) + (αY) was fixed at 1325 °C with a composition of ~50 at.% Zr for the liquid phase.” |
| 1598.15 | L = (βZr) + (αY) |  | experimental | [1] Bu 2010; _cites Love 1960_ | Table 6, p. 9, row 3; `ORC-ZJYJJBKUEP` |  |
| 1586.15 | L = (βZr) + (αY) |  | unspecified | [1] Bu 2010 | Table 6, p. 9, row 5; `ORC-PCXH56LWQ3.40cf53` |  |
| 1586.15 | L = (βZr) + (αY) |  | experimental | [1] Bu 2010 | Table 6, p. 9, row 4; `ORC-PCXH56LWQ3.53c9e6` |  |
| 1160.15 | (βZr) + (αY) = (αZr) |  | unspecified | [1] Bu 2010 | Table 6, p. 9, row 8; `ORC-VZISG4EQ6I` |  |
| 1159.15 | (βZr) + (αY) = (αZr) |  | experimental | [1] Bu 2010 | Table 6, p. 9, row 7; `ORC-JU4J4MAVAQ` |  |
| 1153.15 | (βZr) + (αY) = (αZr) |  | experimental | [1] Bu 2010; _cites Lundin 1962_ | Table 6, p. 9, row 6; `ORC-ORBTZQFQ6U` |  |

## Other properties

### Activity / EMF / Gibbs energy (1)

Table: Activity / EMF / Gibbs energy, Y–Zr system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Vapour pressure; _printed: p(H2)_ | 423 Pa | 1173.15 | d-YHx + b-Zr | model | [2] Peng 2020 | p. 8; `ORC-BWG7CEKI2Z` | “Taking zirconium alloy with 20 at% Y as an example, according to the thermodynamic calculation results from the database, the d-YHx (x 1⁄4 0.57) hydride phase starts to form under a hydrogen pressure of 423 Pa at 900 C, but zirconium still exists in the form of b-Zr solid solution with a fairly low H/Zr ratio of 0.09, far lower than the solubility limits of hydrogen in b-Zr.” |

## Sources

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

1. M.J. Bu, P.S. Wang, H.H. Xu, S.H. Liu, C.S. Sha, Y. Du et al., Experimental investigation and thermodynamic modeling of the Zr-Y system, J min metall B Metall 46, 181-192 (2010). [doi:10.2298/jmmb1002181b](https://doi.org/10.2298/jmmb1002181b)
2. Jiaqing Peng, Ming Wu, Fu Du, Fengli Yang, Jianyun Shen, Lijun Wang et al., Thermodynamic modelling of Y–H and Y–Zr–H system aided by first-principles and its application in bulk hydride moderator fabrication, Journal of Nuclear Materials 531, 152035 (2020). [doi:10.1016/j.jnucmat.2020.152035](https://doi.org/10.1016/j.jnucmat.2020.152035)

## 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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/10.5281/zenodo.23735859
- R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). https://doi.org/10.5281/zenodo.23735891
- 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_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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/).