# Zr–O system

> Zr–O system: 0 accepted literature values (none) and 6 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

0 accepted literature values from 0 paper(s); 6 calculated phase diagram(s).

Data: [interactive phase diagram](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-01Lia-LB.json) · [Markdown](https://data.orchid-project.org/systems/ZR-O.md)

## 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 |
|---|---|---|---|
| ZrO-01Lia-LB.tdb | P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) | `6186bf8ce3a9c3fe210f748397f72f0483dcef599f8290960986d150f24c4884` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-01Lia-LB.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-01Lia-LB.json) |
| ZrO-02Arr.tdb | R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) | `7c8790ce3e67d37dccac94579acf4767052ae94a701e70bed96815804accc866` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-02Arr.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-02Arr.json) |
| ZrO-04Che.tdb | M. Chen, B. Hallstedt, L.J. Gauckler, Solid State Ionics, 170, 255-74(2004). [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) | `4011828e6dc89604e5d422067db8f32a3b1a4408adfb39c28e0ad097313f7152` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-04Che.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-04Che.json) |
| ZrO-04Wan.tdb | C. Wang, M. Zinkevich, F. Aldinger, Calphad, 28, 281-92(2004). [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) | `b2c2da28b0434ca0e2b914bd0da297304a8ab1f3de76fd0b96a37255dbd36470` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-04Wan.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-04Wan.json) |
| ZrO-23Jia.tdb | Y. Jiang, Y. He, W. Zheng, J. Zhang, D. Zhang, X. Lu, J. Nucl. Mater., 574, 154180(2023). [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) | `46c69c633d1f2a3d9e27bf33245a859706a1b699c771400741d5a0fc47d142fc` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-23Jia.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-23Jia.json) |
| ZrO-98Che.tdb | P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) | `96718081b90169291fb30c563956cdc4abf990dc9b5ba73f1711f476c89e4351` | [viewer](https://orchid-project.org/phase-diagrams/#ZR-O/ZrO-98Che.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZrO-98Che.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| ZrO-01Lia-LB.tdb | 2935.91 | ZRO2_C1 (x(O) 0.66667) + ION (x(O) 0.66999) + GAS (x(O) 0.99998) |
| ZrO-01Lia-LB.tdb | 2625.94 | ZRO2_C1 (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-01Lia-LB.tdb | 2354.84 | HCP_3ORD (x(O) 0.32055) + ION (x(O) 0.40207) + ZRO2_C1 (x(O) 0.61362) |
| ZrO-01Lia-LB.tdb | 2241.01 | ION (x(O) 0.08927) + BCC_A2 (x(O) 0.11818) + HCP_3ORD (x(O) 0.19413) |
| ZrO-01Lia-LB.tdb | 1783.37 | HCP_3ORD (x(O) 0.31356) + ZRO2_C1 (x(O) 0.63853) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-01Lia-LB.tdb | 1478 | HCP_3ORD (x(O) 0.30325) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-01Lia-LB.tdb | 1478 | ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-02Arr.tdb | 2718.64 | ZRO2_C1 (x(O) 0.66667) + ION (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-02Arr.tdb | 2594.32 | ZRO2_C1 (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-02Arr.tdb | 2240.45 | HCP_A3 (x(O) 0.29719) + ION (x(O) 0.39894) + ZRO2_C1 (x(O) 0.62437) |
| ZrO-02Arr.tdb | 2178.24 | BCC_A2 (x(O) 0.10277) + ION (x(O) 0.10751) + HCP_A3 (x(O) 0.21182) |
| ZrO-02Arr.tdb | 1726.09 | HCP_A3 (x(O) 0.29518) + ZRO2_C1 (x(O) 0.63289) + ZRO2_TETR (x(O) 0.66452) |
| ZrO-02Arr.tdb | 1503.73 | ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-02Arr.tdb | 1465.32 | HCP_A3 (x(O) 0.29203) + ZRO2_TETR (x(O) 0.66528) + ZRO2_MONO (x(O) 0.66664) |
| ZrO-02Arr.tdb | 646.66 | HCP_A3 (x(O) 0.27629) + ZR2O (x(O) 0.33333) + ZRO2_MONO (x(O) 0.66667) |
| ZrO-02Arr.tdb | 544.52 | ZR3O (x(O) 0.25) + HCP_A3 (x(O) 0.26461) + ZR2O (x(O) 0.33333) |
| ZrO-02Arr.tdb | 337.14 | ZR6O (x(O) 0.14286) + HCP_A3 (x(O) 0.22067) + ZR3O (x(O) 0.25) |
| ZrO-04Che.tdb | 2983.63 | FLUORITE_C1 (x(O) 0.66665) + ION (x(O) 0.66667) + GAS (x(O) 0.99994) |
| ZrO-04Che.tdb | 2255.73 | ION (x(O) 0.09922) + BCC_A2 (x(O) 0.10649) + HCP_A3 (x(O) 0.19119) |
| ZrO-04Wan.tdb | 2986.18 | FLUORITE_C1 (x(O) 0.66659) + ION (x(O) 0.66667) + GAS (x(O) 0.99995) |
| ZrO-04Wan.tdb | 2344.79 | HCP_A3 (x(O) 0.31017) + ION (x(O) 0.40136) + FLUORITE_C1 (x(O) 0.6167) |
| ZrO-04Wan.tdb | 2240.95 | ION (x(O) 0.09888) + BCC_A2 (x(O) 0.09949) + HCP_A3 (x(O) 0.19018) |
| ZrO-23Jia.tdb | 2964.83 | ZRO2_C1 (x(O) 0.66667) + LIQUID (x(O) 0.66941) + GAS (x(O) 0.99996) |
| ZrO-23Jia.tdb | 2650.1 | ZRO2_TETR (x(O) 0.66667) + ZRO2_C1 (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-23Jia.tdb | 2384.22 | HCP_A3 (x(O) 0.30942) + LIQUID (x(O) 0.36242) + ZRO2_C1 (x(O) 0.60342) |
| ZrO-23Jia.tdb | 2240.73 | LIQUID (x(O) 0.09153) + BCC_A2 (x(O) 0.0919) + HCP_A3 (x(O) 0.16005) |
| ZrO-23Jia.tdb | 1692.89 | HCP_A3 (x(O) 0.3156) + ZRO2_C1 (x(O) 0.62834) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-23Jia.tdb | 1477.99 | ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1) |
| ZrO-23Jia.tdb | 1477.99 | HCP_A3 (x(O) 0.30838) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-98Che.tdb | 2978.18 | LIQUID (x(O) 0.6694) + ZRO2_C1 (x(O) 0.67026) + GAS (x(O) 0.99996) |
| ZrO-98Che.tdb | 2606.43 | ZRO2_TETR (x(O) 0.66667) + ZRO2_C1 (x(O) 0.66885) + GAS (x(O) 1) |
| ZrO-98Che.tdb | 2369.33 | HCP_A3 (x(O) 0.31557) + LIQUID (x(O) 0.39698) + ZRO2_C1 (x(O) 0.61826) |
| ZrO-98Che.tdb | 2240.73 | LIQUID (x(O) 0.09153) + BCC_A2 (x(O) 0.0919) + HCP_A3 (x(O) 0.16005) |
| ZrO-98Che.tdb | 1755.75 | HCP_A3 (x(O) 0.31764) + ZRO2_C1 (x(O) 0.63739) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-98Che.tdb | 1477.99 | HCP_A3 (x(O) 0.30838) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) |
| ZrO-98Che.tdb | 1477.99 | ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1) |

## Please cite

- 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 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 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; 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).

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_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_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/).