Ba–Bi system

65 accepted literature values from 1 paper(s) (experimental 29, model 8, DFT 28); 1 calculated phase diagram(s). 5 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	29
model	8
DFT	28

Accepted values by property group
Property group	Values
invariant reaction	9
phase transition	3
activity / EMF / Gibbs energy	2
crystal structure	51

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.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
BaBi-19Liu.tdb	J. Liu, P.-W. Guan, C.N. Marker, N.D. Smith, N. Orabona, S.-L. Shang, H. Kim, Z.-K. Liu, J. Alloys Compd., 771, 281-89(2019). doi:10.1016/j.jallcom.2018.08.324	`3c64df6c937285192a70f8c238e7ab0ce90fc7ad140d3816f7273e56dcd395e1`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BaBi-19Liu.tdb	1017.89	BA4BI3_D73 (x(Bi) 0.42857) + BA11BI10 (x(Bi) 0.47619) + LIQUID (x(Bi) 0.50361)
BaBi-19Liu.tdb	997.97	LIQUID (x(Bi) 0.34454) + BA5BI3_D88 (x(Bi) 0.375) + BA4BI3_D73 (x(Bi) 0.42857)
BaBi-19Liu.tdb	997.97	LIQUID (x(Bi) 0.34476) + BA5BI3_D88 (x(Bi) 0.375) + BA4BI3_D73 (x(Bi) 0.42857)
BaBi-19Liu.tdb	897.83	BCC_A2 (x(Bi) 0) + LIQUID (x(Bi) 0.14748) + BA5BI3_D88 (x(Bi) 0.375)
BaBi-19Liu.tdb	897.83	BCC_A2 (x(Bi) 0) + LIQUID (x(Bi) 0.14719) + BA5BI3_D88 (x(Bi) 0.375)
BaBi-19Liu.tdb	832.92	BA11BI10 (x(Bi) 0.47619) + LIQUID (x(Bi) 0.64683) + BABI3 (x(Bi) 0.75)
BaBi-19Liu.tdb	800	BCC_A2 (x(Bi) 0) + BA2BI (x(Bi) 0.33333) + BA5BI3_D88 (x(Bi) 0.375)
BaBi-19Liu.tdb	535.97	BABI3 (x(Bi) 0.75) + LIQUID (x(Bi) 0.96551) + RHOMBOHEDRAL_A7 (x(Bi) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ba–Bi system (9)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1014	peritectic: liquid + Ba4Bi3 -> Ba11Bi10	Ba4Bi3: Bi 0.428571; Ba11Bi10: Bi 0.47619	model	[1] Liu 2019	Table 3, p. 5, row 7 report
994	peritectic: liquid + Ba4Bi3 -> Ba5Bi3	Ba4Bi3: Bi 0.428571; Ba5Bi3: Bi 0.375	model	[1] Liu 2019	Table 3, p. 5, row 10 report
897	eutectic: liquid -> Ba5Bi3 + Bcc	Ba5Bi3: Bi 0.375	model	[1] Liu 2019	Table 3, p. 5, row 11 report
846	eutectic: liquid -> BaBi3 + Ba11Bi10	BaBi3: Bi 0.75; Ba11Bi10: Bi 0.47619	experimental	[1] Liu 2019 cites Lichtenstein 2017 doi	Table 3, p. 5, row 4 report
833	eutectic: liquid -> BaBi3 + Ba11Bi10	BaBi3: Bi 0.75; Ba11Bi10: Bi 0.47619	model	[1] Liu 2019	Table 3, p. 5, row 5 report
799	peritectoid: Ba5Bi3 + Bcc -> Ba2Bi	Ba5Bi3: Bi 0.375; Ba2Bi: Bi 0.333333	model	[1] Liu 2019	Table 3, p. 5, row 12 report
537	eutectic: liquid -> Rhom_A7(Bi) + BaBi3	BaBi3: Bi 0.75	experimental	[1] Liu 2019 cites Lichtenstein 2017 doi	Table 3, p. 5, row 1 report
536	eutectic: liquid -> Rhom_A7(Bi) + BaBi3	BaBi3: Bi 0.75	model	[1] Liu 2019	Table 3, p. 5, row 3 report
535	eutectic: liquid -> Rhom_A7(Bi) + BaBi3	BaBi3: Bi 0.75	experimental	[1] Liu 2019 cites Okamoto 1990	Table 3, p. 5, row 2 report

Other properties

Phase transition (3)

Phase transition, Ba–Bi system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	902 K	902	congruent melting: liquid -> BaBi3 L: Bi 0.75; BaBi3: Bi 0.75	model	[1] Liu 2019	Table 3, p. 5, row 6 report
Phase transition	1067 K	1067	congruent melting: liquid -> Ba4Bi3 L: Bi 0.428571; Ba4Bi3: Bi 0.428571	experimental	[1] Liu 2019 cites Lichtenstein 2017 doi	Table 3, p. 5, row 8 report
Phase transition	1081 K	1081	congruent melting: liquid -> Ba4Bi3 L: Bi 0.428571; Ba4Bi3: Bi 0.428571	model	[1] Liu 2019	Table 3, p. 5, row 9 report

Activity / EMF / Gibbs energy (2)

Activity / EMF / Gibbs energy, Ba–Bi system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Activity printed: activity	0 unspecified	773		experimental	[1] Liu 2019 cites Lichtenstein 2017 doi	p. 1 report	This notion was further elucidated by Lichtenstein et al. [3] who performed electromotive force (EMF) measurements on the Ba-Bi system, determining the activity of Ba in Bi to be as low as 1015 at xBa 1⁄4 0.05 and 773 K, whereas the activity of Li in Bi is only about 106 at xLi 1⁄4 0.05 [4].
Activity printed: activity	0 unspecified	773		experimental	[1] Liu 2019 cites Lichtenstein 2017 doi	p. 2 report	At 773 K, the activity values of Ba were found to be as low as 6.6 1016 at xBa 1⁄4 0.05, increased linearly as a function of xBa in the liquid phase, remained constant in two-phase regions, and approached unity with xBa 0.80.

Crystal structure (51)

Crystal structure, Ba–Bi system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	13.23 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	experimental	[1] Liu 2019 cites Derrien 2002 doi	Table 1, p. 4, row 7 report
Lattice a	13.47 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	DFT	[1] Liu 2019	Table 1, p. 4, row 8 report
Lattice a	5.26 Å	298.15	Ba2Bi alloy: Bi 0.333333	experimental	[1] Liu 2019 cites Brauer 1961 doi	Table 1, p. 4, row 13 report
Lattice a	5.38 Å	298.15	Ba2Bi alloy: Bi 0.333333	DFT	[1] Liu 2019	Table 1, p. 4, row 14 report
Lattice a	4.82 Å	298.15	Ba2Bi3 alloy: Bi 0.6	experimental	[1] Liu 2019 cites Okamoto 1990	Table 1, p. 4, row 15 report
Lattice a	4.87 Å	298.15	Ba2Bi3 alloy: Bi 0.6	DFT	[1] Liu 2019	Table 1, p. 4, row 16 report
Lattice a	6.61 Å	298.15	Ba3Bi2 alloy: Bi 0.4	DFT	[1] Liu 2019	Table 1, p. 4, row 17 report
Lattice a	10.55 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	experimental	[1] Liu 2019 cites Bin 2003	Table 1, p. 4, row 9 report
Lattice a	10.74 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	DFT	[1] Liu 2019	Table 1, p. 4, row 10 report
Lattice a	10.31 Å	298.15	Ba5Bi3 alloy: Bi 0.375	DFT	[1] Liu 2019	Table 1, p. 4, row 12 report
Lattice a	10.13 Å	298.15	Ba5Bi3 alloy: Bi 0.375	experimental	[1] Liu 2019 cites Calvert 1991	Table 1, p. 4, row 11 report
Lattice a	5.17 Å	298.15	BaBi3 alloy: Bi 0.75	DFT	[1] Liu 2019	Table 1, p. 4, row 6 report
Lattice a	5.18 Å	298.15	BaBi3 alloy: Bi 0.75	experimental	[1] Liu 2019 cites Zhuravlev 1970	Table 1, p. 4, row 5 report
Lattice b	13.23 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	experimental	[1] Liu 2019 cites Derrien 2002 doi	Table 1, p. 4, row 7 report
Lattice b	13.47 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	DFT	[1] Liu 2019	Table 1, p. 4, row 8 report
Lattice b	5.26 Å	298.15	Ba2Bi alloy: Bi 0.333333	experimental	[1] Liu 2019 cites Brauer 1961 doi	Table 1, p. 4, row 13 report
Lattice b	5.38 Å	298.15	Ba2Bi alloy: Bi 0.333333	DFT	[1] Liu 2019	Table 1, p. 4, row 14 report
Lattice b	7.99 Å	298.15	Ba2Bi3 alloy: Bi 0.6	experimental	[1] Liu 2019 cites Okamoto 1990	Table 1, p. 4, row 15 report
Lattice b	7.97 Å	298.15	Ba2Bi3 alloy: Bi 0.6	DFT	[1] Liu 2019	Table 1, p. 4, row 16 report
Lattice b	6.61 Å	298.15	Ba3Bi2 alloy: Bi 0.4	DFT	[1] Liu 2019	Table 1, p. 4, row 17 report
Lattice b	10.55 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	experimental	[1] Liu 2019 cites Bin 2003	Table 1, p. 4, row 9 report
Lattice b	10.74 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	DFT	[1] Liu 2019	Table 1, p. 4, row 10 report
Lattice b	10.31 Å	298.15	Ba5Bi3 alloy: Bi 0.375	DFT	[1] Liu 2019	Table 1, p. 4, row 12 report
Lattice b	10.13 Å	298.15	Ba5Bi3 alloy: Bi 0.375	experimental	[1] Liu 2019 cites Calvert 1991	Table 1, p. 4, row 11 report
Lattice b	5.17 Å	298.15	BaBi3 alloy: Bi 0.75	DFT	[1] Liu 2019	Table 1, p. 4, row 6 report
Lattice b	5.18 Å	298.15	BaBi3 alloy: Bi 0.75	experimental	[1] Liu 2019 cites Zhuravlev 1970	Table 1, p. 4, row 5 report
Lattice c	19.36 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	experimental	[1] Liu 2019 cites Derrien 2002 doi	Table 1, p. 4, row 7 report
Lattice c	19.36 Å	298.15	Ba11Bi10 alloy: Bi 0.47619	DFT	[1] Liu 2019	Table 1, p. 4, row 8 report
Lattice c	18.7 Å	298.15	Ba2Bi alloy: Bi 0.333333	experimental	[1] Liu 2019 cites Brauer 1961 doi	Table 1, p. 4, row 13 report
Lattice c	19.34 Å	298.15	Ba2Bi alloy: Bi 0.333333	DFT	[1] Liu 2019	Table 1, p. 4, row 14 report
Lattice c	9.98 Å	298.15	Ba2Bi3 alloy: Bi 0.6	experimental	[1] Liu 2019 cites Okamoto 1990	Table 1, p. 4, row 15 report
Lattice c	10.31 Å	298.15	Ba2Bi3 alloy: Bi 0.6	DFT	[1] Liu 2019	Table 1, p. 4, row 16 report
Lattice c	6.61 Å	298.15	Ba3Bi2 alloy: Bi 0.4	DFT	[1] Liu 2019	Table 1, p. 4, row 17 report
Lattice c	10.55 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	experimental	[1] Liu 2019 cites Bin 2003	Table 1, p. 4, row 9 report
Lattice c	10.74 Å	298.15	Ba4Bi3 alloy: Bi 0.428571	DFT	[1] Liu 2019	Table 1, p. 4, row 10 report
Lattice c	8.01 Å	298.15	Ba5Bi3 alloy: Bi 0.375	DFT	[1] Liu 2019	Table 1, p. 4, row 12 report
Lattice c	7.79 Å	298.15	Ba5Bi3 alloy: Bi 0.375	experimental	[1] Liu 2019 cites Calvert 1991	Table 1, p. 4, row 11 report
Lattice c	5.17 Å	298.15	BaBi3 alloy: Bi 0.75	DFT	[1] Liu 2019	Table 1, p. 4, row 6 report
Lattice c	5.16 Å	298.15	BaBi3 alloy: Bi 0.75	experimental	[1] Liu 2019 cites Zhuravlev 1970	Table 1, p. 4, row 5 report
Molar volume printed: V0	40.345 Å3/atom		Ba11Bi10 alloy: Bi 0.47619	experimental	[1] Liu 2019 cites Derrien 2002 doi	Table 2, p. 4, row 12 report
Molar volume printed: V0	42.541 Å3/atom	0	Ba11Bi10 alloy: Bi 0.47619	DFT	[1] Liu 2019	Table 2, p. 4, row 11 report
Molar volume printed: V0	46.117 Å3/atom	0	Ba2Bi alloy: Bi 0.333333	DFT	[1] Liu 2019	Table 2, p. 4, row 5 report
Molar volume printed: V0	43.164 Å3/atom		Ba2Bi alloy: Bi 0.333333	experimental	[1] Liu 2019 cites Martinez-Ripoll 1974 doi	Table 2, p. 4, row 6 report
Molar volume printed: V0	39.909 Å3/atom	0	Ba2Bi3 alloy: Bi 0.6	DFT	[1] Liu 2019	Table 2, p. 4, row 16 report
Molar volume printed: V0	57.096 Å3/atom	0	Ba3Bi2 alloy: Bi 0.4	DFT	[1] Liu 2019	Table 2, p. 4, row 15 report
Molar volume printed: V0	41.937 Å3/atom		Ba4Bi3 alloy: Bi 0.428571	experimental	[1] Liu 2019 cites Bin 2003	Table 2, p. 4, row 8 report
Molar volume printed: V0	44.03 Å3/atom	0	Ba4Bi3 alloy: Bi 0.428571	DFT	[1] Liu 2019	Table 2, p. 4, row 7 report
Molar volume printed: V0	45.922 Å3/atom	0	Ba5Bi3 alloy: Bi 0.375	DFT	[1] Liu 2019	Table 2, p. 4, row 9 report
Molar volume printed: V0	43.24 Å3/atom		Ba5Bi3 alloy: Bi 0.375	experimental	[1] Liu 2019 cites Eisenmann 1975 doi	Table 2, p. 4, row 10 report
Molar volume printed: V0	34.779 Å3/atom	0	BaBi3 alloy: Bi 0.75	DFT	[1] Liu 2019	Table 2, p. 4, row 13 report
Molar volume printed: V0	34.748 Å3/atom		BaBi3 alloy: Bi 0.75	experimental	[1] Liu 2019 cites Zhuravlev 1970	Table 2, p. 4, row 14 report

Sources

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

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

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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi: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). doi: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). 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_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}
}