# Ba system > Ba system: 22 accepted literature values (crystal structure 19, mixing / partial 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/BA.html · Markdown: https://data.orchid-project.org/systems/BA.md 22 accepted literature values from 6 paper(s) (experimental 7, DFT 13, unspecified 2); 0 calculated phase diagram(s). Data: [JSON](https://data.orchid-project.org/literature/systems/BA.json) · [CSV](https://data.orchid-project.org/systems/BA.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#BA) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/BA.html) · [Markdown](https://data.orchid-project.org/systems/BA.md) Table: Accepted values by evidence class | Evidence class | Values | |---|---:| | experimental | 7 | | DFT | 13 | | unspecified | 2 | Table: Accepted values by property group | Property group | Values | |---|---:| | mixing / partial | 3 | | crystal structure | 19 | ## Other properties ### Mixing / partial (3) Table: Mixing / partial, Ba system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 16; `ORC-RIAAFE4Z6F` | | | Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 21; `ORC-JFLLJLLIJE` | | | Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 26; `ORC-CHPMSHGULC` | | ### Crystal structure (19) Table: Crystal structure, Ba system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Lattice a | 5.012 Å | 0 | (Ba); _alloy: Ba 1_ | DFT | [2] Li 2013 | Table 1, p. 2, row 13; `ORC-KWJPOTICYW` | | | Lattice a | 4.991 Å | 0 | (Ba); _(Ba): Ba 1_ | DFT | [3] Benhafid 2019 | Table 1, p. 2, row 12; `ORC-PXR653NUKJ.c26402` | | | Lattice a; _printed: a_ | 4.999 Å | 0 | Bcc; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 16; `ORC-XZB5TUT3XV` | | | Lattice a; _printed: a_ | 6.316 Å | 0 | Fcc; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 21; `ORC-V3XV6XGL3Y` | | | Lattice a; _printed: a_ | 4.448 Å | 0 | Hcp; _alloy: Ba 1_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 26; `ORC-QCLR4BIFAS` | | | Lattice a | 5.013 Å | 298.15 | (Ba); _(Ba): Ba 1_ | experimental | [3] Benhafid 2019; _cites Hirst 1956_ [doi](https://doi.org/10.1021/j150537a011) | Table 1, p. 2, row 11; `ORC-PYJOZCXBIV.dea7be` | | | Lattice a | 5.021 Å | 298.15 | (Ba); _alloy: Ba 1_ | experimental | [2] Li 2013; _cites Bruzzone 1966_ | Table 1, p. 2, row 12; `ORC-RYTLPCURVF` | | | Lattice a | 0.5023 not_printed | 298.15 | (βCa, Ba); _(βCa, Ba): Ba 1_ | unspecified | [4] Alcock 1986; _cites ref. 1_ | Table 1, p. 2, row 4; `ORC-XA64SQ3LNS` | | | Lattice a | 4.35 Å | 298.15 | Bcc-Ba | experimental | [5] Liu 2019; _cites Evers 1992_ [doi](https://doi.org/10.1016/0925-8388%2892%2990586-x) | Table 1, p. 4, row 1; `ORC-2FWUWERKCR.848d52` | | | Lattice a | 4.36 Å | 298.15 | Bcc-Ba | DFT | [5] Liu 2019 | Table 1, p. 4, row 2; `ORC-ZD7LB4IZLP.57c668` | | | Lattice a | 5.023 Å | 298.15 | bcc (Ba); _bcc (Ba): _ | unspecified | [6] Smith 1988; _cites ref. 1_ | Table I, p. 2, row 5; `ORC-XFX2YY7U4O` | | | Lattice b | 4.991 Å | 0 | (Ba); _(Ba): Ba 1_ | DFT | [3] Benhafid 2019 | Table 1, p. 2, row 12; `ORC-PXR653NUKJ.7b5439` | | | Lattice b | 5.013 Å | 298.15 | (Ba); _(Ba): Ba 1_ | experimental | [3] Benhafid 2019; _cites Hirst 1956_ [doi](https://doi.org/10.1021/j150537a011) | Table 1, p. 2, row 11; `ORC-PYJOZCXBIV.df6926` | | | Lattice b | 4.35 Å | 298.15 | Bcc-Ba | experimental | [5] Liu 2019; _cites Evers 1992_ [doi](https://doi.org/10.1016/0925-8388%2892%2990586-x) | Table 1, p. 4, row 1; `ORC-2FWUWERKCR.60dc9f` | | | Lattice b | 4.36 Å | 298.15 | Bcc-Ba | DFT | [5] Liu 2019 | Table 1, p. 4, row 2; `ORC-ZD7LB4IZLP.ea07ce` | | | Lattice c | 4.35 Å | 298.15 | Bcc-Ba | experimental | [5] Liu 2019; _cites Evers 1992_ [doi](https://doi.org/10.1016/0925-8388%2892%2990586-x) | Table 1, p. 4, row 1; `ORC-2FWUWERKCR.9674a5` | | | Lattice c | 4.36 Å | 298.15 | Bcc-Ba | DFT | [5] Liu 2019 | Table 1, p. 4, row 2; `ORC-ZD7LB4IZLP.c21c10` | | | Molar volume; _printed: V0_ | 62.875 Å3/atom | | Ba | experimental | [5] Liu 2019; _cites Evers 1992_ [doi](https://doi.org/10.1016/0925-8388%2892%2990586-x) | Table 2, p. 4, row 2; `ORC-F2TI5GPVK3.008acf` | | | Molar volume; _printed: V0_ | 62.522 Å3/atom | 0 | Ba | DFT | [5] Liu 2019 | Table 2, p. 4, row 1; `ORC-RJNENUUHTK.7e994d` | | ## 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) 2. Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013). [doi:10.1016/j.calphad.2013.09.002](https://doi.org/10.1016/j.calphad.2013.09.002) 3. R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur, Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations, J. Phase Equilib. Diffus. 40, 195-205 (2019). [doi:10.1007/s11669-019-00714-2](https://doi.org/10.1007/s11669-019-00714-2) 4. C. B. Alcock, V. P. Itkin, The Ba−Ca (Barium-Calcium) system, Bulletin of Alloy Phase Diagrams 7, 338-340 (1986). [doi:10.1007/bf02873004](https://doi.org/10.1007/bf02873004) 5. Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019). [doi:10.1016/j.jallcom.2018.08.324](https://doi.org/10.1016/j.jallcom.2018.08.324) 6. J. F. Smith, K. J. Lee, The Ca−V (Calcium-Vanadium), Sr−V (strontium-Vandadium), and Ba−V (Barium-Vanadium) systems, Bulletin of Alloy Phase Diagrams 9, 466-469 (1988). [doi:10.1007/bf02881868](https://doi.org/10.1007/bf02881868) ## 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=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).