# B–Zr system

> B–Zr system: 45 accepted literature values (invariant reaction 30, formation 12, phase transition 3) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

45 accepted literature values from 4 paper(s) (experimental 13, model 28, DFT 4); 0 calculated phase diagram(s). 2 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/B-ZR.json) · [CSV](https://data.orchid-project.org/systems/B-ZR.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#B-ZR) · [phases (10)](https://data.orchid-project.org/phases/pages/B-ZR.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/B-ZR.html) · [Markdown](https://data.orchid-project.org/systems/B-ZR.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 13 |
| model | 28 |
| DFT | 4 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 30 |
| phase transition | 3 |
| formation | 12 |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/B/B-ZR.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/B/B-ZR.json) · [CALPHAD hull ZrB-08Tok](https://data.orchid-project.org/hulls/calphad-sgte/B/B-ZR--ZrB-08Tok.json) · [CALPHAD hull ZrB-09Che](https://data.orchid-project.org/hulls/calphad-sgte/B/B-ZR--ZrB-09Che.json) · [CALPHAD hull ZrB-11Cac](https://data.orchid-project.org/hulls/calphad-sgte/B/B-ZR--ZrB-11Cac.json) · [CALPHAD hull ZrB-98Dus-LB](https://data.orchid-project.org/hulls/calphad-sgte/B/B-ZR--ZrB-98Dus-LB.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the B–Zr system (30)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 3518 | congruent melting: L -> ZrB2 | L: Zr 0.66; ZrB2: B 0.666667, Zr 0.333333 | experimental | [1] Chen 2009; _cites Rudy 1966_ | Table 4, p. 5, row 4; `ORC-QQ3V3J6CL4` |  |
| 3506 | congruent melting: L -> ZrB2 | L: Zr 0.666; ZrB2: B 0.666667, Zr 0.333333 | model | [1] Chen 2009 | Table 4, p. 5, row 6; `ORC-OP4ZKVKVJQ` |  |
| 3500 | congruent melting: L -> ZrB2 | L: B 0.666667, Zr 0.333333; ZrB2: B 0.666667, Zr 0.333333 | experimental | [1] Chen 2009; _cites Portnoi 1970_ | Table 4, p. 5, row 5; `ORC-QLQNANO5FL` |  |
| 2523 | peritectic: L + ZrB2 -> ZrB12 | L: Zr 0.91; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923 | experimental | [1] Chen 2009; _cites Rudy 1966_ | Table 4, p. 5, row 7; `ORC-MC5VDGO5ID` |  |
| 2362.15 | peritectic: L + ZrB2 -> ZrB12 | L: B 0.938; ZrB2: B 0.675; ZrB12: B 0.923 | model | [2] Cacciamani 2011 | Table 4, p. 6, row 2; `ORC-EXG3Y5NLDY` |  |
| 2310.15 | peritectic: L + ZrB2 = ZrB12 | L: B 0.939; ZrB2: B 0.666667; ZrB12: B 0.923077 | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 5; `ORC-D4Y36LSD3E` |  |
| 2310 | peritectic: L + ZrB2 -> ZrB12 | L: Zr 0.939; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923 | model | [1] Chen 2009 | Table 4, p. 5, row 9; `ORC-5GDVFZBS3I` |  |
| 2309.15 | peritectic: L + ZrB2 = ZrB12 | L: B 0.94; ZrB2: B 0.666667; ZrB12: B 0.923077 | model | [3] Pan 2019 | Table 2, p. 4, row 6; `ORC-EGVQRFUQZD` |  |
| 2303 | peritectic: L + ZrB2 -> ZrB12 | L: Zr 0.92; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923 | experimental | [1] Chen 2009; _cites Portnoi 1970_ | Table 4, p. 5, row 8; `ORC-GZOPLGR3EE` |  |
| 2299.15 | eutectic: L -> B + ZrB12 | L: B 0.967; B: B 1; ZrB12: B 0.923 | model | [2] Cacciamani 2011 | Table 4, p. 6, row 3; `ORC-L2S5RQCDM5` |  |
| 2282.15 | eutectic: L = ZrB12 + (βB) | L: B 0.9573; ZrB12: B 0.923077 | model | [3] Pan 2019 | Table 2, p. 4, row 8; `ORC-JZT5B7RZA6` |  |
| 2282.15 | eutectic: L = ZrB12 + (βB) | L: B 0.957; ZrB12: B 0.923077 | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 7; `ORC-NCDIP6MS76` |  |
| 2282 | eutectic: L -> ZrB12+β-B | L: Zr 0.957; ZrB12: B 0.923077, Zr 0.076923 | model | [1] Chen 2009 | Table 4, p. 5, row 12; `ORC-SXS4M5VZT3` |  |
| 2273 | eutectic: L -> ZrB12+β-B | L: Zr 0.98; ZrB12: B 0.923077, Zr 0.076923 | experimental | [1] Chen 2009; _cites Rudy 1966_ | Table 4, p. 5, row 10; `ORC-LAPVNTOV5S` |  |
| 2248 | eutectic: L -> ZrB12+β-B | L: Zr 0.96; ZrB12: B 0.923077, Zr 0.076923 | experimental | [1] Chen 2009; _cites Portnoi 1970_ | Table 4, p. 5, row 11; `ORC-I4QLKDY5JU` |  |
| 1988.15 | eutectoid: ZrB12 = ZrB2 + β-B | ZrB12: B 0.923077; ZrB2: B 0.666667 | model | [3] Pan 2019 | Table 2, p. 4, row 10; `ORC-LWF4TFLDCN` |  |
| 1984.15 | eutectoid: ZrB12 = ZrB2 + β-B | ZrB12: B 0.923077; ZrB2: B 0.666667 | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 9; `ORC-27MC4KHUA3` |  |
| 1984 | eutectoid: ZrB12 -> ZrB2+β-B | ZrB12: B 0.923077, Zr 0.076923; ZrB2: B 0.666667, Zr 0.333333 | model | [1] Chen 2009 | Table 4, p. 5, row 14; `ORC-ELKX7DERJG` |  |
| 1983 | eutectoid: ZrB12 -> ZrB2+β-B | ZrB12: B 0.923077, Zr 0.076923; ZrB2: B 0.666667, Zr 0.333333 | experimental | [1] Chen 2009; _cites Rudy 1966_ | Table 4, p. 5, row 13; `ORC-R5YBUEJXSI` |  |
| 1963.15 | eutectic: L -> ZrB2 + bcc-Zr | L: B 0.135; ZrB2: B 0.667; bcc-Zr: B 0.01 | model | [2] Cacciamani 2011 | Table 4, p. 6, row 4; `ORC-ES72W6D3CA` |  |
| 1953 | eutectic: L -> ZrB2 + bcc-Zr | L: Zr 0.14; ZrB2: B 0.666667, Zr 0.333333 | experimental | [1] Chen 2009; _cites Portnoi 1970_ | Table 4, p. 5, row 2; `ORC-DDGL642WE7` |  |
| 1934.15 | eutectic: L = ZrB2 + (βZr) | L: B 0.124; ZrB2: B 0.666667 | model | [3] Pan 2019 | Table 2, p. 4, row 2; `ORC-THKUQ555JI` |  |
| 1934.15 | eutectic: L = ZrB2 + (βZr) | L: B 0.1242; ZrB2: B 0.666667 | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 1; `ORC-WEZB6IMLIZ` |  |
| 1934 | eutectic: L -> ZrB2 + bcc-Zr | L: Zr 0.1242; ZrB2: B 0.666667, Zr 0.333333 | model | [1] Chen 2009 | Table 4, p. 5, row 3; `ORC-XWHL5NNDR4` |  |
| 1933 | eutectic: L -> ZrB2 + bcc-Zr | L: Zr 0.12; ZrB2: B 0.666667, Zr 0.333333 | experimental | [1] Chen 2009; _cites Rudy 1966_ | Table 4, p. 5, row 1; `ORC-QW5HTJUKZS` |  |
| 1523.15 | peritectoid: ZrB2 + (βZr) = ZrB | ZrB2: B 0.666667; ZrB: B 0.5 | model | [3] Pan 2019 | Table 2, p. 4, row 12; `ORC-CXMMNQETPF` |  |
| 1523.15 | peritectoid: ZrB2 + (βZr) = ZrB | ZrB2: B 0.666667; ZrB: B 0.5 | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 11; `ORC-H6NFQRGYZZ` |  |
| 1523 | peritectoid: ZrB2+bcc-Zr -> ZrB | ZrB2: B 0.666667, Zr 0.333333; ZrB: B 0.5, Zr 0.5 | experimental | [1] Chen 2009; _cites Glaser 1953_ | Table 4, p. 5, row 16; `ORC-D2TYECO73U` |  |
| 1523 | peritectoid: ZrB2+bcc-Zr -> ZrB | ZrB2: B 0.666667, Zr 0.333333; ZrB: B 0.5, Zr 0.5 | model | [1] Chen 2009 | Table 4, p. 5, row 17; `ORC-RA76WNIBNI` |  |
| 1461.15 | peritectoid: ZrB2 + bcc-Zr -> ZrB | ZrB2: B 0.667; bcc-Zr: B 0.001; ZrB: B 0.5 | model | [2] Cacciamani 2011 | Table 4, p. 6, row 5; `ORC-IOWUQU5JLT` |  |

## 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, B–Zr system (12)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| ZrB(FeB-type) |  | -79.3 unknown |  | model |  |  | [4] Tokunaga 2008; _cites Rogl 1988_ [doi](https://doi.org/10.1016/0364-5916%2888%2990021-1) | Table 2, p. 5, row 4; `ORC-P2FQDJPH36` |  |
| ZrB(FeB-type) |  | -72.6 unknown |  | model |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 3; `ORC-3DTVJ5FZEQ` |  |
| ZrB(FeB-type) |  | -67.1 unknown | 0 | DFT |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 2; `ORC-Y5UAPVIRWF` |  |
| ZrB(NaCl-type) |  | -39.6 unknown | 0 | DFT |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 1; `ORC-DEBUJA77QP` |  |
| ZrB12 |  | -24.1 unknown | 0 | DFT |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 10; `ORC-ZTB43ZGUFK` |  |
| ZrB12 |  | -22.5 unknown |  | model |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 11; `ORC-K3OWYJ7RPL` |  |
| ZrB2 |  | -108.9 unknown ± 2.1 | 298.15 | experimental |  |  | [4] Tokunaga 2008; _cites Johnson 1967_ [doi](https://doi.org/10.1021/je60032a044) | Table 2, p. 5, row 8; `ORC-R52FC6BRDW` |  |
| ZrB2 |  | -107.7 unknown ± 1.7 | 298.15 | experimental |  |  | [4] Tokunaga 2008; _cites Huber 1964_ [doi](https://doi.org/10.1021/j100792a052) | Table 2, p. 5, row 7; `ORC-BMYSVI23Y7` |  |
| ZrB2 |  | -107.368 kJ/mol (basis unstated) | 298.15 | model |  |  | [3] Pan 2019 | p. 8; `ORC-NM7F4TBT3C` | “The calculated enthalpy of formation of solid phases at 298 K is shown in Fig. 4 and the enthalpy of formation for ZrB2 was optimized to be - 107,368 J/mol, in accordance with the experimental values.\[19,20\]” |
| ZrB2 |  | -100.6 unknown |  | model |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 6; `ORC-422UP665PU` |  |
| ZrB2 |  | -100.3 unknown | 0 | DFT |  |  | [4] Tokunaga 2008 | Table 2, p. 5, row 5; `ORC-O4FGAPFJR3` |  |
| ZrB2 |  | -93 unknown | 298.15 | experimental |  |  | [4] Tokunaga 2008; _cites Kirpichev 1979_ | Table 2, p. 5, row 9; `ORC-OJNP5U5XDT` |  |

## Other properties

### Phase transition (3)

Table: Phase transition, B–Zr system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 3503.15 K | 3503.15 | congruent melting: L = ZrB2; _L: B 0.6667; ZrB2: B 0.666667_ | model | [3] Pan 2019 | Table 2, p. 4, row 4; `ORC-E6ACX7XAEI` |  |
| Phase transition | 3506.15 K | 3506.15 | congruent melting: L = ZrB2; _L: B 0.666; ZrB2: B 0.666667_ | model | [3] Pan 2019; _cites Chen 2009_ [doi](https://doi.org/10.1016/j.jallcom.2008.01.061) | Table 2, p. 4, row 3; `ORC-OAPN7TEPX4` |  |
| Phase transition | 3516.15 K | 3516.15 | congruent melting: L -> ZrB2; _L: B 0.667; ZrB2: B 0.667_ | model | [2] Cacciamani 2011 | Table 4, p. 6, row 1; `ORC-BXCT3RWJVU` |  |

## Sources

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

1. H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009). [doi:10.1016/j.jallcom.2008.01.061](https://doi.org/10.1016/j.jallcom.2008.01.061)
2. G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011). [doi:10.1016/j.calphad.2011.10.003](https://doi.org/10.1016/j.calphad.2011.10.003)
3. Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019). [doi:10.1007/s11669-019-00728-w](https://doi.org/10.1007/s11669-019-00728-w)
4. Tatsuya Tokunaga, Ken Terashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Phase Equilibria in the Fe-Zr-B System, Mater. Trans. 49, 2534-2540 (2008). [doi:10.2320/matertrans.mb200809](https://doi.org/10.2320/matertrans.mb200809)

## 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-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); 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); 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_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/).