Bi–Li system

29 accepted literature values from 1 paper(s) (experimental 19, model 10); 1 calculated phase diagram(s). 1 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 (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	19
model	10

Accepted values by property group
Property group	Values
invariant reaction	13
phase transition	4
formation	12

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
BiLi-13Liu.tdb	Y. Liu, Z. Kang, J. Wang, Thermochim. Acta, 558, 53-60(2013). doi:10.1016/j.tca.2013.01.029	`15b3439c7d98d6a9ed48d06ea0d9e86e501638e2a84d00eb91869b534411c7cd`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BiLi-13Liu.tdb	519.22	RHOMBOHEDRAL_A7 (x(Li) 0) + LIQUID (x(Li) 0.14242) + BILI_L10 (x(Li) 0.5)
BiLi-13Liu.tdb	453.07	BILI3_D03 (x(Li) 0.75) + LIQUID (x(Li) 0.99907) + BCC_A2 (x(Li) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Bi–Li system (13)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1432	congruent melting: liq <-> BiLi	liq: Bi 0.5, Li 0.5; BiLi: Bi 0.5, Li 0.5	model	[1] Liu 2013	Table 3, p. 5, row 9 report
1418	congruent melting: liq <-> BiLi	liq: Bi 0.5, Li 0.5; BiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Grube 1934	Table 3, p. 5, row 10 report
693	liq + BiLi3 <-> βBiLi	BiLi3: Bi 0.25, Li 0.75; βBiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Weppner 1978 doi	Table 3, p. 5, row 8 report
688	liq + BiLi3 <-> βBiLi	liq: Li 0.36; BiLi3: Bi 0.25, Li 0.75; βBiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Grube 1934	Table 3, p. 5, row 7 report
688	peritectic		experimental	[1] Liu 2013 cites Grube 1934	p. 2 report	From both thermal analysis and electrical resistivity measurement, Gruber et al. [8] identified two invariant reactions at 688 and 673 K, respectively, which were related with the peritectic melting of BiLi and the allotropic transformation of BiLi, respectively.
688	liq + BiLi3 <-> βBiLi	liq: Li 0.36; BiLi3: Bi 0.25, Li 0.75; βBiLi: Bi 0.5, Li 0.5	model	[1] Liu 2013	Table 3, p. 5, row 6 report
673	liq + BiLi3 <-> αBiLi	liq: Li 0.37; BiLi3: Bi 0.25, Li 0.75; αBiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Grube 1934	Table 3, p. 5, row 4 report
673	liq + BiLi3 <-> αBiLi	BiLi3: Bi 0.25, Li 0.75; αBiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Weppner 1978 doi	Table 3, p. 5, row 5 report
672.3	liq + BiLi3 <-> αBiLi	liq: Li 0.35; BiLi3: Bi 0.25, Li 0.75; αBiLi: Bi 0.5, Li 0.5	model	[1] Liu 2013	Table 3, p. 5, row 3 report
519.2	liq <-> Bi + αBiLi	liq: Li 0.14; αBiLi: Bi 0.5, Li 0.5	model	[1] Liu 2013	Table 3, p. 5, row 1 report
516	liq <-> Bi + αBiLi	liq: Li 0.14; αBiLi: Bi 0.5, Li 0.5	experimental	[1] Liu 2013 cites Grube 1934	Table 3, p. 5, row 2 report
453.1	liq <-> BiLi3 + Li	liq: Li 0.999; BiLi3: Bi 0.25, Li 0.75	model	[1] Liu 2013	Table 3, p. 5, row 11 report
448	liq <-> BiLi3 + Li	liq: Li 0.99; BiLi3: Bi 0.25, Li 0.75	experimental	[1] Liu 2013 cites Grube 1934	Table 3, p. 5, row 12 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Bi–Li system (7)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
BiLi	BiLi	-48.55 kJ/mol-atom		model	-36.049 (mp-aaaabhww)	-37.398 (oqmd-28740)	[1] Liu 2013	Table 2, p. 5, row 1 report
BiLi	BiLi	-46.3 kJ/mol-atom	298.15	experimental	-36.049 (mp-aaaabhww)	-37.398 (oqmd-28740)	[1] Liu 2013 cites Weppner 1978 doi	Table 2, p. 5, row 2 report
BiLi	BiLi	-35.5 kJ/mol-atom	298.15	experimental	-36.049 (mp-aaaabhww)	-37.398 (oqmd-28740)	[1] Liu 2013 cites Sommer 1982	Table 2, p. 5, row 3 report
BiLi3	BiLi3	-70.75 kJ/mol-atom	298.15	experimental	-51.091 (mp-aaaabije)	-52.899 (oqmd-10938)	[1] Liu 2013 cites Foster 1964 doi	Table 2, p. 5, row 6 report
BiLi3	BiLi3	-67.575 kJ/mol-atom		model	-51.091 (mp-aaaabije)	-52.899 (oqmd-10938)	[1] Liu 2013	Table 2, p. 5, row 4 report
BiLi3	BiLi3	-63.85 kJ/mol-atom	298.15	experimental	-51.091 (mp-aaaabije)	-52.899 (oqmd-10938)	[1] Liu 2013 cites Weppner 1978 doi	Table 2, p. 5, row 5 report
BiLi3	BiLi3	-62.825 kJ/mol-atom	298.15	experimental	-51.091 (mp-aaaabije)	-52.899 (oqmd-10938)	[1] Liu 2013 cites Seith 1937	Table 2, p. 5, row 7 report

Other properties

Phase transition (4)

Phase transition, Bi–Li system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	673 K	673	polymorphic	experimental	[1] Liu 2013	p. 1 report	BiLi has an allotropic transformation around 673 K.
Phase transition	673 K	673	polymorphic	experimental	[1] Liu 2013 cites Grube 1934	p. 2 report	From both thermal analysis and electrical resistivity measurement, Gruber et al. [8] identified two invariant reactions at 688 and 673 K, respectively, which were related with the peritectic melting of BiLi and the allotropic transformation of BiLi, respectively.
Phase transition	688 K	688	BiLi + BiLi3 + liquid	experimental	[1] Liu 2013	p. 1 report	In addition, BiLi melts incongruently, with the formation of Bi-Li melts and BiLi3 when the temperature is raised above 688 K.
Phase transition	1418 K	1418	congruent melting	model	[1] Liu 2013 cites Sangster 1991 doi	p. 1 report	BiLi3 melts congruently around 1418 K, and the liquidus around BiLi3 shows a certain degree of steepness, indicating the presence of short-range ordering for the melts around such a composition.

Formation (5)

Formation, Bi–Li system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: Entropies of formation	-15.55 J/mol-atom/K		BiLi alloy: Li 0.5	model	[1] Liu 2013	Table 2, p. 5, row 1 report
Entropy of formation printed: Entropies of formation	-18.175 J/mol-atom/K		BiLi3 alloy: Li 0.75	model	[1] Liu 2013	Table 2, p. 5, row 4 report
Entropy of formation printed: Entropies of formation	-12.25 J/mol-atom/K	298.15	BiLi alloy: Li 0.5	experimental	[1] Liu 2013 cites Weppner 1978 doi	Table 2, p. 5, row 2 report
Entropy of formation printed: Entropies of formation	-22.5 J/mol-atom/K	298.15	BiLi3 alloy: Li 0.75	experimental	[1] Liu 2013 cites Foster 1964 doi	Table 2, p. 5, row 6 report
Entropy of formation printed: Entropies of formation	-14.725 J/mol-atom/K	298.15	BiLi3 alloy: Li 0.75	experimental	[1] Liu 2013 cites Weppner 1978 doi	Table 2, p. 5, row 5 report

Sources

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

Yajun Liu, Zhitao Kang, Jiang Wang, Thermodynamic basis and related phase equilibria for Bi–Li and Bi–Na binary systems, Thermochimica Acta 558, 53-60 (2013). doi:10.1016/j.tca.2013.01.029

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}
}