Ba system

22 accepted literature values from 6 paper(s) (experimental 7, DFT 13, unspecified 2); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	7
DFT	13
unspecified	2

Accepted values by property group
Property group	Values
mixing / partial	3
crystal structure	19

Other properties

Mixing / partial (3)

Mixing / partial, Ba system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Bcc alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 16 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Fcc alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 21 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Hcp alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 26 report

Crystal structure (19)

Crystal structure, Ba system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.012 Å	0	(Ba) alloy: Ba 1	DFT	[2] Li 2013	Table 1, p. 2, row 13 report
Lattice a	4.991 Å	0	(Ba) (Ba): Ba 1	DFT	[3] Benhafid 2019	Table 1, p. 2, row 12 report
Lattice a printed: a	4.999 Å	0	Bcc alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 16 report
Lattice a printed: a	6.316 Å	0	Fcc alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 21 report
Lattice a printed: a	4.448 Å	0	Hcp alloy: Ba 1	DFT	[1] Shang 2007	Table 2, p. 2, row 26 report
Lattice a	5.013 Å	298.15	(Ba) (Ba): Ba 1	experimental	[3] Benhafid 2019 cites Hirst 1956 doi	Table 1, p. 2, row 11 report
Lattice a	5.021 Å	298.15	(Ba) alloy: Ba 1	experimental	[2] Li 2013 cites Bruzzone 1966	Table 1, p. 2, row 12 report
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 report
Lattice a	4.35 Å	298.15	Bcc-Ba	experimental	[5] Liu 2019 cites Evers 1992 doi	Table 1, p. 4, row 1 report
Lattice a	4.36 Å	298.15	Bcc-Ba	DFT	[5] Liu 2019	Table 1, p. 4, row 2 report
Lattice a	5.023 Å	298.15	bcc (Ba) bcc (Ba):	unspecified	[6] Smith 1988 cites ref. 1	Table I, p. 2, row 5 report
Lattice b	4.991 Å	0	(Ba) (Ba): Ba 1	DFT	[3] Benhafid 2019	Table 1, p. 2, row 12 report
Lattice b	5.013 Å	298.15	(Ba) (Ba): Ba 1	experimental	[3] Benhafid 2019 cites Hirst 1956 doi	Table 1, p. 2, row 11 report
Lattice b	4.35 Å	298.15	Bcc-Ba	experimental	[5] Liu 2019 cites Evers 1992 doi	Table 1, p. 4, row 1 report
Lattice b	4.36 Å	298.15	Bcc-Ba	DFT	[5] Liu 2019	Table 1, p. 4, row 2 report
Lattice c	4.35 Å	298.15	Bcc-Ba	experimental	[5] Liu 2019 cites Evers 1992 doi	Table 1, p. 4, row 1 report
Lattice c	4.36 Å	298.15	Bcc-Ba	DFT	[5] Liu 2019	Table 1, p. 4, row 2 report
Molar volume printed: V0	62.875 Å3/atom		Ba	experimental	[5] Liu 2019 cites Evers 1992 doi	Table 2, p. 4, row 2 report
Molar volume printed: V0	62.522 Å3/atom	0	Ba	DFT	[5] Liu 2019	Table 2, p. 4, row 1 report

Sources

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

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
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
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
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
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
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

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). doi: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). doi: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.

@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}
}