# Y system

> Y system: 56 accepted literature values (crystal structure 32, invariant reaction 11, phase transition 11, formation 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/Y.html · Markdown: https://data.orchid-project.org/systems/Y.md

56 accepted literature values from 12 paper(s) (experimental 20, model 20, DFT 4, unspecified 12); 0 calculated phase diagram(s).

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

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 20 |
| model | 20 |
| DFT | 4 |
| unspecified | 12 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 11 |
| phase transition | 11 |
| formation | 2 |
| crystal structure | 32 |

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Y system (11)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1795.15 | Liq ↔ βY | Liq: Y 1 | model | [1] Kardellass 2014 | Table 7, p. 8, row 53; `ORC-AWWCQ5HCLZ` |  |
| 1795.15 | Liq ↔ βY | Liq: Y 1; βY: Y 1 | experimental | [1] Kardellass 2014; _cites Gschneider 1961_ | Table 7, p. 8, row 52; `ORC-RVHCP3GGTB` |  |
| 1793.15 | Liq ↔ βY | Liq: Y 1; βY: Y 1 | experimental | [1] Kardellass 2014; _cites Gschneider 1961_ | Table 7, p. 8, row 51; `ORC-MVM265K4QA` |  |
| 1758.15 | L + βY \<-> αY | L: Y 0.9994; βY: Y 0.983; αY: Y 0.997 | unspecified | [2] Chan 2010; _cites Massalski 1990_ | Table 4, p. 7, row 5; `ORC-IIGOKZPESW` |  |
| 1758.15 | L + βY \<-> αY | L: Y 0.9994; βY: Y 0.9821; αY: Y 0.998 | model | [2] Chan 2010 | Table 4, p. 7, row 6; `ORC-X7IT3HR23I` |  |
| 1756 | peritectic: βY → αY+L | βY: Y 0.9974; αY: Y 0.9826; L: Y 0.9973 | model | [3] Fan 2021; _cites Saenko 2017_ [doi](https://doi.org/10.1007/s11669-017-0574-3) | Table 2, p. 4, row 42; `ORC-DLW4KSF2Y2` |  |
| 1752 | polymorphic: hcp-A3 \<=> bcc-A2 | hcp-A3: Y 1; bcc-A2: Y 1 | model | [4] (ed.) 1998 | Table I, p. 200, row 7; `ORC-MMEGNQHNYF` |  |
| 1751.15 | polymorphic: βY ↔ αY | αY: Y 1 | experimental | [5] Wang 2009; _cites Gschneidner 1983_ [doi](https://doi.org/10.1007/bf02868085) | Table 3, p. 3, row 4; `ORC-D2HVWTLBJK` |  |
| 1751.15 | polymorphic: βY ↔ αY | αY: Y 1 | model | [5] Wang 2009 | Table 3, p. 3, row 5; `ORC-VB5PJ3EXQQ` |  |
| 1751 | β-Y -> α-Y | α-Y: Y 1 | model | [6] Golumbfskie 2006 | Table 2, p. 2, row 33; `ORC-75ZZF635C5` |  |
| 1751 | β-Y -> α-Y | α-Y: Y 1 | experimental | [6] Golumbfskie 2006; _cites Gschneidner 1986_ [doi](https://doi.org/10.1016/s0168-1273%2886%2908004-2) | Table 2, p. 2, row 34; `ORC-IVI7JV7FDT` |  |

## 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, Y system (2)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Y (hcp) |  | 0 kJ/mol-atom | 0 | unspecified |  |  | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-VAL33AMFPO.0574f8` |  |
| hcp |  | 0 kJ/mol (basis unstated) | 0 | unspecified |  |  | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-VAL33AMFPO.6a06be` |  |

## Other properties

### Phase transition (11)

Table: Phase transition, Y system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 1733.15 K | 1733.15 | polymorphic: βY \<-> αY; _βY: Y 1_ | experimental | [5] Wang 2009; _cites Beaudry 1963_ | Table 5, p. 5, row 13; `ORC-4DBDJ4YQ4D` |  |
| Phase transition | 1751.15 K | 1751.15 | polymorphic: βY -> αY; _βY: Y 1_ | experimental | [8] Wang 2010; _cites Spedding 1973_ [doi](https://doi.org/10.1016/0022-5088%2873%2990126-4) | Table 5, p. 4, row 6; `ORC-7X4ZWA6TNE` |  |
| Phase transition | 1751.15 K | 1751.15 | polymorphic: βY -> αY; _βY: Y 1_ | model | [8] Wang 2010 | Table 5, p. 4, row 8; `ORC-USBRMJPMXE` |  |
| Phase transition | 1751.15 K | 1751.15 | polymorphic: βY -> αY; _βY: Y 1_ | experimental | [8] Wang 2010; _cites Gschneidner 1983_ [doi](https://doi.org/10.1007/bf02880324) | Table 5, p. 4, row 7; `ORC-XWGW6HM6RJ` |  |
| Phase transition | 1751.15 K | 1751.15 | polymorphic: βY \<-> αY; _βY: Y 1_ | unspecified | [5] Wang 2009; _cites Beaudry 1978_ | Table 5, p. 5, row 14; `ORC-FH37GQWJZT` |  |
| Phase transition | 1751.15 K | 1751.15 | polymorphic: βY \<-> αY; _βY: Y 1_ | model | [5] Wang 2009 | Table 5, p. 5, row 15; `ORC-WL7FRGH3OC` |  |
| Phase transition | 1753.15 K | 1753.15 | polymorphic: βY -> αY; _βY: Y 1_ | experimental | [8] Wang 2010; _cites Markova 1964_ | Table 5, p. 4, row 5; `ORC-GNMQYIAQPR` |  |
| Phase transition | 1788.15 K | 1788.15 | congruent melting: L -> βY; _L: Y 1_ | experimental | [8] Wang 2010; _cites Markova 1964_ | Table 5, p. 4, row 1; `ORC-CSBRA325TS` |  |
| Phase transition | 1795.15 K | 1795.15 | congruent melting: L -> βY; _L: Y 1_ | experimental | [8] Wang 2010; _cites Spedding 1973_ [doi](https://doi.org/10.1016/0022-5088%2873%2990126-4) | Table 5, p. 4, row 2; `ORC-FTVCLXQ3BM` |  |
| Phase transition | 1795.15 K | 1795.15 | congruent melting: L -> βY; _L: Y 1_ | model | [8] Wang 2010 | Table 5, p. 4, row 4; `ORC-JMXD7XSHQN` |  |
| Phase transition | 1795.15 K | 1795.15 | congruent melting: L -> βY; _L: Y 1_ | experimental | [8] Wang 2010; _cites Gschneidner 1983_ [doi](https://doi.org/10.1007/bf02880324) | Table 5, p. 4, row 3; `ORC-UFDZASLYX6` |  |

### Crystal structure (32)

Table: Crystal structure, Y system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 3.654 Å |  | Y; _alloy: Y 1_ | model | [9] Zacherl 2010; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 3, row 5; `ORC-ODGGU7ISE4.0059f1` |  |
| Lattice a | 3.656 Å |  | Y; _alloy: Y 1_ | DFT | [9] Zacherl 2010 | Table 1, p. 3, row 6; `ORC-UK3ZPG4YI4.752b56` |  |
| Lattice a; _printed: a_ | 3.6631 Å | 0 | hcp; _alloy: Y 1_ | unspecified | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-GFWJF7KB22.2dbb7c` |  |
| Lattice a; _printed: a_ | 3.6636 Å | 0 | hcp; _alloy: Y 1_ | unspecified | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-GFWJF7KB22.3afb4e` |  |
| Lattice a | 3.656 Å |  | αY; _alloy: Y 1_ | model | [3] Fan 2021; _cites Zacherl 2010_ [doi](https://doi.org/10.1016/j.intermet.2010.08.032) | Table 1, p. 3, row 8; `ORC-K3OFMVKNUQ.a30606` |  |
| Lattice a | 3.659 Å | 0 | αY; _alloy: Y 1_ | DFT | [3] Fan 2021 | Table 1, p. 3, row 6; `ORC-WVY3RIZMLW.e6d6ba` |  |
| Lattice a | 3.645 Å | 298.15 | (αY); _alloy: Y 1_ | experimental | [10] Tang 2012; _cites Hanak 1961_ [doi](https://doi.org/10.1016/0022-5088%2861%2990003-0) | Table 4, p. 5, row 16; `ORC-AWM4KBUMRK.5ee7b7` |  |
| Lattice a | 4.122 Å | 298.15 | (βY); _alloy: Y 1_ | experimental | [10] Tang 2012; _cites Kaul 1976_ [doi](https://doi.org/10.1016/0022-5088%2876%2990124-7) | Table 4, p. 5, row 15; `ORC-YXGTPVPZIL` |  |
| Lattice a | 3.65 Å | 298.15 | Y; _alloy: Y 1_ | experimental | [9] Zacherl 2010; _cites Kittel 2005_ | Table 1, p. 3, row 4; `ORC-JXZIK76OTW.bcc2f1` |  |
| Lattice a | 3.6636 not_printed | 298.15 | α-Y; _alloy: Y 1_ | experimental | [7] Peng 2020; _cites Beaudry 1975_ [doi](https://doi.org/10.1007/bf02913827) | Table 1, p. 3, row 1; `ORC-LODEO4Y43V.b2cd48` |  |
| Lattice a | 3.6474 Å | 298.15 | αY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 4; `ORC-B5DBJRJXSU.300579` |  |
| Lattice a | 3.652 Å | 298.15 | αY; _alloy: Y 1_ | experimental | [3] Fan 2021; _cites Evans 1960_ [doi](https://doi.org/10.1016/0022-3115%2860%2990055-6) | Table 1, p. 3, row 7; `ORC-SQ754TUKMU.61e390` |  |
| Lattice a | 4.04 Å | 298.15 | βY; _alloy: Y 1_ | unspecified | [12] Vasslliev 1993; _cites Gschneidner 1986_ | Table 1, p. 1, row 3; `ORC-DEWUBWBDMI` |  |
| Lattice a | 4.07 Å | 298.15 | βY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 5; `ORC-STNOR3LBWH.f6aa1d` |  |
| Lattice a | 4.11 Å | 1500 | βY; _alloy: Y 1_ | unspecified | [12] Vasslliev 1993; _cites Gschneidner 1986_ | Table 1, p. 1, row 2; `ORC-YQAGJSDNHS` |  |
| Lattice a | 3.6482 Å | 1751.15 (\<) | αY; _alloy: Y 1_ | unspecified | [12] Vasslliev 1993; _cites Gschneidner 1986_ | Table 1, p. 1, row 1; `ORC-675Z7FMIU5.d427f7` |  |
| Lattice b | 3.6474 Å | 298.15 | αY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 4; `ORC-B5DBJRJXSU.92632d` |  |
| Lattice b | 4.07 Å | 298.15 | βY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 5; `ORC-STNOR3LBWH.f91fad` |  |
| Lattice c | 5.649 Å |  | Y; _alloy: Y 1_ | model | [9] Zacherl 2010; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 3, row 5; `ORC-ODGGU7ISE4.aeb81f` |  |
| Lattice c | 5.679 Å |  | Y; _alloy: Y 1_ | DFT | [9] Zacherl 2010 | Table 1, p. 3, row 6; `ORC-UK3ZPG4YI4.a39773` |  |
| Lattice c; _printed: c_ | 5.79 Å | 0 | hcp; _alloy: Y 1_ | unspecified | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-GFWJF7KB22.30111b` |  |
| Lattice c; _printed: c_ | 5.8147 Å | 0 | hcp; _alloy: Y 1_ | unspecified | [7] Peng 2020 | Table 4, p. 5, row 4; `ORC-GFWJF7KB22.4af6bc` |  |
| Lattice c | 5.679 Å |  | αY; _alloy: Y 1_ | model | [3] Fan 2021; _cites Zacherl 2010_ [doi](https://doi.org/10.1016/j.intermet.2010.08.032) | Table 1, p. 3, row 8; `ORC-K3OFMVKNUQ.987303` |  |
| Lattice c | 5.678 Å | 0 | αY; _alloy: Y 1_ | DFT | [3] Fan 2021 | Table 1, p. 3, row 6; `ORC-WVY3RIZMLW.8b49cd` |  |
| Lattice c | 5.73 Å | 298.15 | (αY); _alloy: Y 1_ | experimental | [10] Tang 2012; _cites Hanak 1961_ [doi](https://doi.org/10.1016/0022-5088%2861%2990003-0) | Table 4, p. 5, row 16; `ORC-AWM4KBUMRK.7060d5` |  |
| Lattice c | 5.73 Å | 298.15 | Y; _alloy: Y 1_ | experimental | [9] Zacherl 2010; _cites Kittel 2005_ | Table 1, p. 3, row 4; `ORC-JXZIK76OTW.ebf20b` |  |
| Lattice c | 5.79 not_printed | 298.15 | α-Y; _alloy: Y 1_ | experimental | [7] Peng 2020; _cites Beaudry 1975_ [doi](https://doi.org/10.1007/bf02913827) | Table 1, p. 3, row 1; `ORC-LODEO4Y43V.26004d` |  |
| Lattice c | 5.7306 Å | 298.15 | αY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 4; `ORC-B5DBJRJXSU.822d56` |  |
| Lattice c | 5.711 Å | 298.15 | αY; _alloy: Y 1_ | experimental | [3] Fan 2021; _cites Evans 1960_ [doi](https://doi.org/10.1016/0022-3115%2860%2990055-6) | Table 1, p. 3, row 7; `ORC-SQ754TUKMU.366a4b` |  |
| Lattice c | 4.07 Å | 298.15 | βY; _alloy: Y 1_ | model | [11] Hu 2018; _cites Villars 1997_ | Table 1, p. 2, row 5; `ORC-STNOR3LBWH.fd0a64` |  |
| Lattice c | 5.7318 Å | 1751.15 (\<) | αY; _alloy: Y 1_ | unspecified | [12] Vasslliev 1993; _cites Gschneidner 1986_ | Table 1, p. 1, row 1; `ORC-675Z7FMIU5.287104` |  |
| Molar volume; _printed: V0_ | 65.8922 Å3 |  | hcp; _alloy: Y 1_ | model | [7] Peng 2020 | Table 4, p. 4, row 4; `ORC-F4HPGXI5YK` |  |

## Sources

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

1. S. Kardellass, C. Servant, N. Selhaoui, A. Iddaoudi, M. Ait Amar, L. Bouirden, A thermodynamic assessment of the iron–yttrium system, Journal of Alloys and Compounds 583, 598-606 (2014). [doi:10.1016/j.jallcom.2013.07.010](https://doi.org/10.1016/j.jallcom.2013.07.010)
2. Wren Chan, Michael C. Gao, Ömer N. Doğan, Paul King, Thermodynamic Assessment of V-Rare Earth Systems, J. Phase Equilib. Diffus. 31, 425-432 (2010). [doi:10.1007/s11669-010-9779-4](https://doi.org/10.1007/s11669-010-9779-4)
3. Ling Fan, Chen Shen, Kun Hu, Huashan Liu, Hongbin Zhang, DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System, J. Phase Equilib. Diffus. 42, 348-362 (2021). [doi:10.1007/s11669-021-00887-9](https://doi.org/10.1007/s11669-021-00887-9)
4. I. Ansara, A. T. Dinsdale, M. H. Rand (eds.), COST 507: Thermochemical database for light metal alloys, Volume 2, EUR 18499 EN, Office for Official Publications of the European Communities, Luxembourg (1998), ISBN 92-828-3902-8.
5. S.L. Wang, C.P. Wang, X.J. Liu, K. Ishida, Thermodynamic assessments of the Ag–Y and Sc–Y systems, Journal of Alloys and Compounds 476, 187-192 (2009). [doi:10.1016/j.jallcom.2008.09.053](https://doi.org/10.1016/j.jallcom.2008.09.053)
6. William Golumbfskie, Zi-Kui Liu, CALPHAD/first-principles re-modeling of the Co–Y binary system, Journal of Alloys and Compounds 407, 193-200 (2006). [doi:10.1016/j.jallcom.2005.06.037](https://doi.org/10.1016/j.jallcom.2005.06.037)
7. 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)
8. S.L. Wang, C.P. Wang, X.J. Liu, A.T. Tang, F.S. Pan, K. Ishida, Thermodynamic assessments of the Ag–Er and Er–Y systems, Journal of Alloys and Compounds 490, 145-149 (2010). [doi:10.1016/j.jallcom.2009.10.039](https://doi.org/10.1016/j.jallcom.2009.10.039)
9. C. Zacherl, J. Saal, Y. Wang, Z.K. Liu, First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system, Intermetallics 18, 2412-2418 (2010). [doi:10.1016/j.intermet.2010.08.032](https://doi.org/10.1016/j.intermet.2010.08.032)
10. Cai Tang, Biao Hu, Yong Du, Dongdong Zhao, Peng Zhou, Feng Zheng et al., Thermodynamic modeling of the Hf–Sn and Sn–Y systems, Calphad 39, 91-96 (2012). [doi:10.1016/j.calphad.2012.09.003](https://doi.org/10.1016/j.calphad.2012.09.003)
11. J.L. Hu, H. Bo, L.B. Liu, Z.P. Jin, Thermodynamic study of the Al-Sc-Y system, Thermochimica Acta 661, 147-159 (2018). [doi:10.1016/j.tca.2018.01.018](https://doi.org/10.1016/j.tca.2018.01.018)
12. V. Vasslliev, M. Gambino, J. P. Bros, G. Borzone, G. Cacciamani, R. Ferro, Thermodynamic investigation and optimization of the Y-Pb alloy system, JPE 14, 142-149 (1993). [doi:10.1007/bf02667801](https://doi.org/10.1007/bf02667801)

## 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/).