# Ba–Ni system

> Ba–Ni system: 37 accepted literature values (mixing / partial 23, crystal structure 14) and 1 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/BA-NI.html · Markdown: https://data.orchid-project.org/systems/BA-NI.md

37 accepted literature values from 1 paper(s) (DFT 37); 1 calculated phase diagram(s). 4 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/BA-NI.json) · [CSV](https://data.orchid-project.org/systems/BA-NI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#BA-NI) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#BA-NI/BaNi-07Sha.json) · [phases (4)](https://data.orchid-project.org/phases/pages/BA-NI.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/BA-NI.html) · [Markdown](https://data.orchid-project.org/systems/BA-NI.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| DFT | 37 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| mixing / partial | 23 |
| crystal structure | 14 |

## 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 |
|---|---|---|---|
| BaNi-07Sha.tdb | S. Shang, Z.-J. Liu, Z.-K. Liu, J. Alloys Compd., 430, 188-93(2007). [doi:10.1016/j.jallcom.2006.03.096](https://doi.org/10.1016/j.jallcom.2006.03.096) | `21285447bde5f7eebd6add2ca02b3fb757e553af3ee63af4970c9ea06f666420` | [viewer](https://orchid-project.org/phase-diagrams/#BA-NI/BaNi-07Sha.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BaNi-07Sha.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BaNi-07Sha.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| BaNi-07Sha.tdb | 1727.96 | LIQUID#2 (x(Ni) 0.16436) + LIQUID (x(Ni) 0.9998) + FCC_A1 (x(Ni) 1) |
| BaNi-07Sha.tdb | 1727.96 | LIQUID#2 (x(Ni) 0.16436) + LIQUID (x(Ni) 0.9998) + FCC_A1 (x(Ni) 1) |
| BaNi-07Sha.tdb | 1000 | BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0) + FCC_A1 (x(Ni) 1) |
| BaNi-07Sha.tdb | 873 | BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0.06503) + FCC_A1 (x(Ni) 1) |
| BaNi-07Sha.tdb | 873 | BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0.06492) + FCC_A1 (x(Ni) 1) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/BA/BA-NI.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/BA/BA-NI.json)

## Other properties

### Mixing / partial (23)

Table: Mixing / partial, Ba–Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Enthalpy of mixing; _printed: ΔH (M)_ | 0 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 1_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 5; `ORC-G4QVM4W6AB.7c0a25` |  |
| Enthalpy of mixing; _printed: ΔH_ | 78.346 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 3; `ORC-I44HFOPM46.2ba6b1` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 79.098 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 3; `ORC-I44HFOPM46.5f0900` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 0 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 1; `ORC-IIJ4V34L6P.81dd16` |  |
| Enthalpy of mixing; _printed: ΔH_ | 81.035 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 4; `ORC-KEHMMH4T6C.11f51e` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 81.903 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 4; `ORC-KEHMMH4T6C.7486aa` |  |
| Enthalpy of mixing; _printed: ΔH_ | 54.31 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 2; `ORC-TO6YIED2S2.d4daf1` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 54.661 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 2; `ORC-TO6YIED2S2.e6ec00` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 55.202 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 7; `ORC-5GQ7BZSDFQ.bfde22` |  |
| Enthalpy of mixing; _printed: ΔH_ | 53.844 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 7; `ORC-5GQ7BZSDFQ.c7cf73` |  |
| Enthalpy of mixing; _printed: ΔH_ | 80.449 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 8; `ORC-ANJEG7LNTQ.429eb7` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 82.78 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 8; `ORC-ANJEG7LNTQ.912809` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 86.634 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 9; `ORC-AYEWBNTCDN.29934f` |  |
| Enthalpy of mixing; _printed: ΔH_ | 83.289 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 9; `ORC-AYEWBNTCDN.cc1be0` |  |
| Enthalpy of mixing; _printed: ΔH (M)_ | 0 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 1_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 10; `ORC-PO4TTZV7AB.301c1d` |  |
| Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ni 0_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 6; `ORC-S3LQJ2KXUK.d99ed1` |  |
| Enthalpy of mixing; _printed: ΔHa (M)_ | 54.928 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 16; `ORC-4VPIWTATG6` |  |
| Enthalpy of mixing; _printed: ΔHa (M)_ | 85.008 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 18; `ORC-JV7EAA3V4H` |  |
| Enthalpy of mixing; _printed: ΔH a (M)_ | 54.928 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 12; `ORC-MZPKF53LLB` |  |
| Enthalpy of mixing; _printed: ΔH a (M)_ | 85.008 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 14; `ORC-N2UFCDNUJU` |  |
| Enthalpy of mixing; _printed: ΔH a (M)_ | 0 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 11; `ORC-OGYNRH65TR` |  |
| Enthalpy of mixing; _printed: ΔH a (M)_ | 81.83 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 13; `ORC-Q3GJJ2PM5K` |  |
| Enthalpy of mixing; _printed: ΔHa (M)_ | 81.83 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 17; `ORC-X33E6ODLR4` |  |

### Crystal structure (14)

Table: Crystal structure, Ba–Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a; _printed: a_ | 4.418 Å | 0 | Bcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 2; `ORC-4LQURMHMZ7.16b654` |  |
| Lattice a; _printed: a (M)_ | 4.423 Å | 0 | Bcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 2; `ORC-4LQURMHMZ7.a2843c` |  |
| Lattice a; _printed: a_ | 3.774 Å | 0 | Bcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 3; `ORC-56V3W75GJ6.cb990e` |  |
| Lattice a; _printed: a (M)_ | 3.776 Å | 0 | Bcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 3; `ORC-56V3W75GJ6.e2a6e1` |  |
| Lattice a; _printed: a (M)_ | 4.999 Å | 0 | Bcc; _alloy: Ni 0_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 1; `ORC-FBLTITUR2W.1af261` |  |
| Lattice a; _printed: a (M)_ | 3.303 Å | 0 | Bcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 4; `ORC-PQIE3CC4PI.05c202` |  |
| Lattice a; _printed: a_ | 3.3 Å | 0 | Bcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 4; `ORC-PQIE3CC4PI.7c44f5` |  |
| Lattice a; _printed: a (M)_ | 4.158 Å | 0 | Fcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 9; `ORC-4N5EVDDNT7.a0ae37` |  |
| Lattice a; _printed: a_ | 4.154 Å | 0 | Fcc; _alloy: Ni 0.75_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 9; `ORC-4N5EVDDNT7.d035a6` |  |
| Lattice a; _printed: a (M)_ | 4.735 Å | 0 | Fcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 8; `ORC-AFVL4J525T.5a517f` |  |
| Lattice a; _printed: a_ | 4.732 Å | 0 | Fcc; _alloy: Ni 0.5_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 8; `ORC-AFVL4J525T.666829` |  |
| Lattice a; _printed: a_ | 6.316 Å | 0 | Fcc; _alloy: Ni 0_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 6; `ORC-JOU6O3YWFH.1d0289` |  |
| Lattice a; _printed: a_ | 5.548 Å | 0 | Fcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 7; `ORC-W7BTLMYIKI.0aaf6f` |  |
| Lattice a; _printed: a (M)_ | 5.551 Å | 0 | Fcc; _alloy: Ni 0.25_ | DFT | [1] Shang 2007 | Table 1, p. 2, row 7; `ORC-W7BTLMYIKI.b7252f` |  |

## Sources

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

1. Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu, Thermodynamic modeling of the Ba–Ni–Ti system, Journal of Alloys and Compounds 430, 188-193 (2007). [doi:10.1016/j.jallcom.2006.03.096](https://doi.org/10.1016/j.jallcom.2006.03.096)

## 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/).