Li–Pb system

70 accepted literature values from 1 paper(s) (experimental 34, DFT 36); 1 calculated phase diagram(s). 3 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	34
DFT	36

Accepted values by property group
Property group	Values
invariant reaction	19
phase transition	4
formation	16
crystal structure	30
other property	1

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
LiPb-16Zho.tdb	C. Zhou, C. Guo, C. Li, Z. Du, J. Nucl. Mater., 477, 95-101(2016). doi:10.1016/j.jnucmat.2016.04.061	`d85ea4e948ee390a8288413c0816602fef5f4dba4a594d2afd7762551a9b96e9`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
LiPb-16Zho.tdb	931.06	LI7PB2 (x(Pb) 0.22222) + LI3PB_D03 (x(Pb) 0.25) + LIQUID (x(Pb) 0.28332)
LiPb-16Zho.tdb	921.06	LIQUID (x(Pb) 0.17888) + LI4PB (x(Pb) 0.2) + LI7PB2 (x(Pb) 0.20816)
LiPb-16Zho.tdb	915.02	LI3PB_D03 (x(Pb) 0.25) + LI5PB2 (x(Pb) 0.28571) + LIQUID (x(Pb) 0.29612)
LiPb-16Zho.tdb	915.02	LI3PB_D03 (x(Pb) 0.25) + LI5PB2 (x(Pb) 0.28571) + LIQUID (x(Pb) 0.29601)
LiPb-16Zho.tdb	735.9	LI5PB2 (x(Pb) 0.28571) + LIQUID (x(Pb) 0.41561) + LIPB_B2 (x(Pb) 0.46061)
LiPb-16Zho.tdb	735.9	LI5PB2 (x(Pb) 0.28571) + LIQUID (x(Pb) 0.41585) + LIPB_B2 (x(Pb) 0.46069)
LiPb-16Zho.tdb	507.54	LIPB_B2 (x(Pb) 0.50937) + LIQUID (x(Pb) 0.83855) + FCC_A1 (x(Pb) 0.96783)
LiPb-16Zho.tdb	487.34	LIPB_B2 (x(Pb) 0.50863) + LIPB_ALPHA (x(Pb) 0.5114) + FCC_A1 (x(Pb) 0.96957)
LiPb-16Zho.tdb	459.01	LI5PB2 (x(Pb) 0.28571) + LIPB_B2 (x(Pb) 0.46975) + LIPB_ALPHA (x(Pb) 0.47855)
LiPb-16Zho.tdb	459.01	LI5PB2 (x(Pb) 0.28571) + LIPB_B2 (x(Pb) 0.46958) + LIPB_ALPHA (x(Pb) 0.47841)
LiPb-16Zho.tdb	449.29	BCC_A2 (x(Pb) 0) + LIQUID (x(Pb) 0.00159) + LI4PB (x(Pb) 0.2)
LiPb-16Zho.tdb	449.29	BCC_A2 (x(Pb) 0) + LIQUID (x(Pb) 0.00158) + LI4PB (x(Pb) 0.2)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Li–Pb system (19)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
931	Li7Pb2 + liq. -> Li3Pb	Li7Pb2: Pb 0.231; liq.: Pb 0.279; Li3Pb: Pb 0.25	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 8 report
931	Li7Pb2 + liq. -> Li3Pb	Li7Pb2: Pb 0.2223; liq.: Pb 0.2834; Li3Pb: Pb 0.25	DFT	[1] Zhou 2016	Table 6, p. 5, row 7 report
921	liq. + Li7Pb2 -> Li4Pb	liq.: Pb 0.1789; Li7Pb2: Pb 0.2082; Li4Pb: Pb 0.2	DFT	[1] Zhou 2016	Table 6, p. 5, row 3 report
921	liq. + Li7Pb2 -> Li4Pb	liq.: Pb 0.17; Li7Pb2: Pb 0.208; Li4Pb: Pb 0.2	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 4 report
915	Li3Pb + liq. -> Li5Pb2	Li3Pb: Pb 0.25; liq.: Pb 0.3; Li5Pb2: Pb 0.287	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 10 report
915	Li3Pb + liq. -> Li5Pb2	Li3Pb: Pb 0.25; liq.: Pb 0.2961; Li5Pb2: Pb 0.2857	DFT	[1] Zhou 2016	Table 6, p. 5, row 9 report
737	eutectic: liq. -> Li5Pb2 + βLiPb	liq.: Pb 0.38; Li5Pb2: Pb 0.286; βLiPb: Pb 0.46	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 12 report
736	eutectic: liq. -> Li5Pb2 + βLiPb	liq.: Pb 0.4158; Li5Pb2: Pb 0.2857; βLiPb: Pb 0.4607	DFT	[1] Zhou 2016	Table 6, p. 5, row 11 report
509	eutectic: liq. -> βLiPb + fcc	liq.: Pb 0.836; βLiPb: Pb 0.5	experimental	[1] Zhou 2016 cites Pogodin 1947	Table 6, p. 5, row 22 report
508	eutectic: liq. -> βLiPb + fcc	liq.: Pb 0.843; βLiPb: Pb 0.5; fcc: Pb 0.966	experimental	[1] Zhou 2016 cites Hubberstey 1992	Table 6, p. 5, row 23 report
508	eutectic: liq. -> βLiPb + fcc	liq.: Pb 0.8386; βLiPb: Pb 0.5094; fcc: Pb 0.9678	DFT	[1] Zhou 2016	Table 6, p. 5, row 19 report
508	eutectic: liq. -> βLiPb + fcc	liq.: Pb 0.83; βLiPb: Pb 0.5; fcc: Pb 0.968	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 21 report
504	eutectic: liq. -> βLiPb + fcc	liq.: Pb 0.837; βLiPb: Pb 0.5; fcc: Pb 0.977	experimental	[1] Zhou 2016 cites Czochralski 1927 doi	Table 6, p. 5, row 20 report
487	fcc + βLiPb -> αLiPb	fcc: Pb 0.9696; βLiPb: Pb 0.5086; αLiPb: Pb 0.5114	DFT	[1] Zhou 2016	Table 6, p. 5, row 15 report
487	fcc + βLiPb -> αLiPb	fcc: Pb 0.98; βLiPb: Pb 0.5; αLiPb: Pb 0.506	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 16 report
459	βLiPb -> Li5Pb2 + αLiPb	βLiPb: Pb 0.4746; Li5Pb2: Pb 0.2857; αLiPb: Pb 0.4807	DFT	[1] Zhou 2016	Table 6, p. 5, row 13 report
459	βLiPb -> Li5Pb2 + αLiPb	βLiPb: Pb 0.467; Li5Pb2: Pb 0.286; αLiPb: Pb 0.475	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 14 report
450	eutectic: liq. -> bcc + Li4Pb	liq.: Pb 0.01; bcc: Pb 0; Li4Pb: Pb 0.2	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 2 report
449	eutectic: liq. -> bcc + Li4Pb	liq.: Pb 0.0016; bcc: Pb 0; Li4Pb: Pb 0.2	DFT	[1] Zhou 2016	Table 6, p. 5, row 1 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, Li–Pb system (16)
Phase	Value	T (K)	Class	Source	Location
Li10Pb3	-22 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 6 report
Li3Pb	-37.02 kJ/mol-atom ± 0.75	298.15	DFT	[1] Zhou 2016 cites Kalyanaraman 1982	Table 2, p. 2, row 8 report
Li3Pb	-34.56 kJ/mol-atom ± 2.07	298.15	DFT	[1] Zhou 2016 cites Seith 1937	Table 2, p. 2, row 7 report
Li3Pb	-31.61 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 9 report
Li4Pb	-34.06 kJ/mol-atom ± 2.04	298.15	DFT	[1] Zhou 2016 cites Seith 1937	Table 2, p. 2, row 1 report
Li4Pb	-26.81 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 2 report
Li5Pb2	-33.34 kJ/mol-atom ± 2	298.15	DFT	[1] Zhou 2016 cites Seith 1937	Table 2, p. 2, row 11 report
Li5Pb2	-31 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 12 report
Li7Pb2	-35.14 kJ/mol-atom ± 2.11	298.15	DFT	[1] Zhou 2016 cites Seith 1937	Table 2, p. 2, row 3 report
Li7Pb2	-33.48 kJ/mol-atom ± 0.5	298.15	DFT	[1] Zhou 2016 cites Kalyanaraman 1982	Table 2, p. 2, row 4 report
Li7Pb2	-31.03 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 5 report
Li8Pb3	-22.28 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 10 report
αLiPb	-30.3 kJ/mol-atom ± 1.82	298.15	DFT	[1] Zhou 2016 cites Seith 1937	Table 2, p. 2, row 13 report
αLiPb	-26.44 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 15 report
αLiPb	-24.25 kJ/mol-atom ± 0.55	298.15	DFT	[1] Zhou 2016 cites Kalyanaraman 1982	Table 2, p. 2, row 14 report
βLiPb	-1.08 kJ/mol-atom	0	DFT	[1] Zhou 2016	Table 2, p. 2, row 16 report

Other properties

Phase transition (4)

Phase transition, Li–Pb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	755 K	755	liq. -> βLiPb liq.: Pb 0.4833; βLiPb: Pb 0.4833	DFT	[1] Zhou 2016	Table 6, p. 5, row 17 report
Phase transition	755 K	755	liq. -> βLiPb liq.: Pb 0.5; βLiPb: Pb 0.5	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 18 report
Phase transition	999 K	999	liq. -> Li7Pb2 liq.: Pb 0.222; Li7Pb2: Pb 0.222222	experimental	[1] Zhou 2016 cites Grube 1934 doi	Table 6, p. 5, row 6 report
Phase transition	999 K	999	liq. -> Li7Pb2 liq.: Pb 0.2212; Li7Pb2: Pb 0.2212	DFT	[1] Zhou 2016	Table 6, p. 5, row 5 report

Crystal structure (30)

Crystal structure, Li–Pb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	10.08 Å	298.15	Li10Pb3 alloy: Pb 0.230769	experimental	[1] Zhou 2016 cites Rollier 1939	Table 1, p. 2, row 5 report
Lattice a	20.08 Å	298.15	Li22Pb5 alloy: Pb 0.185185	experimental	[1] Zhou 2016 cites Zalkin 1958 doi	Table 1, p. 2, row 2 report
Lattice a	6.687 Å	298.15	Li3Pb alloy: Pb 0.25	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 6 report
Lattice a	3.34 Å	298.15	Li4Pb alloy: Pb 0.2	experimental	[1] Zhou 2016 cites Zalkin 1958 doi	Table 1, p. 2, row 3 report
Lattice a	4.751 Å	298.15	Li7Pb2 alloy: Pb 0.222222	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 4 report
Lattice a	8.24 Å	298.15	Li8Pb3 alloy: Pb 0.272727	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 7 report
Lattice a	3.542 Å	298.15	αLiPb alloy: Pb 0.5	experimental	[1] Zhou 2016 cites Zalkin 1957 doi	Table 1, p. 2, row 8 report
Lattice a	3.563 Å	298.15	βLiPb alloy: Pb 0.5	experimental	[1] Zhou 2016 cites Zalkin 1957 doi	Table 1, p. 2, row 9 report
Lattice b	4.757 Å	298.15	Li8Pb3 alloy: Pb 0.272727	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 7 report
Lattice c	8.589 Å	298.15	Li7Pb2 alloy: Pb 0.222222	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 4 report
Lattice c	11.03 Å	298.15	Li8Pb3 alloy: Pb 0.272727	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 7 report
Molar volume printed: V0	19.91 Å3/atom	0	Li10Pb3 alloy: Pb 0.230769	DFT	[1] Zhou 2016	Table 4, p. 4, row 7 report
Molar volume printed: V0	19.7 Å3/atom		Li10Pb3 alloy: Pb 0.230769	experimental	[1] Zhou 2016 cites Rollier 1939	Table 4, p. 4, row 8 report
Molar volume printed: V0	18.78 Å3/atom	0	Li3Pb alloy: Pb 0.25	DFT	[1] Zhou 2016	Table 4, p. 4, row 9 report
Molar volume printed: V0	18.69 Å3/atom		Li3Pb alloy: Pb 0.25	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 4, p. 4, row 10 report
Molar volume printed: V0	18.6 Å3/atom	0	Li4Pb alloy: Pb 0.2	DFT	[1] Zhou 2016	Table 4, p. 4, row 3 report
Molar volume printed: V0	18.74 Å3/atom		Li4Pb alloy: Pb 0.2	experimental	[1] Zhou 2016 cites Zalkin 1958 doi	Table 4, p. 4, row 4 report
Molar volume printed: V0	19.54 Å3/atom	0	Li5Pb2 alloy: Pb 0.285714	DFT	[1] Zhou 2016	Table 4, p. 4, row 13 report
Molar volume printed: V0	18.7 Å3/atom	0	Li7Pb2 alloy: Pb 0.222222	DFT	[1] Zhou 2016	Table 4, p. 4, row 5 report
Molar volume printed: V0	18.65 Å3/atom		Li7Pb2 alloy: Pb 0.222222	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 4, p. 4, row 6 report
Molar volume printed: V0	20.39 Å3/atom	0	Li8Pb3 alloy: Pb 0.272727	DFT	[1] Zhou 2016	Table 4, p. 4, row 11 report
Molar volume printed: V0	19.03 Å3/atom		Li8Pb3 alloy: Pb 0.272727	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 4, p. 4, row 12 report
Molar volume printed: V0	22.18 Å3/atom		αLiPb alloy: Pb 0.5	experimental	[1] Zhou 2016 cites Zalkin 1957 doi	Table 4, p. 4, row 15 report
Molar volume printed: V0	22.8 Å3/atom	0	αLiPb alloy: Pb 0.5	DFT	[1] Zhou 2016	Table 4, p. 4, row 14 report
Molar volume printed: V0	22.62 Å3/atom		βLiPb alloy: Pb 0.5	experimental	[1] Zhou 2016 cites Zalkin 1957 doi	Table 4, p. 4, row 17 report
Molar volume printed: V0	24.48 Å3/atom	0	βLiPb alloy: Pb 0.5	DFT	[1] Zhou 2016	Table 4, p. 4, row 16 report
lattice unspecified angle	104.5 deg	298.15	Li8Pb3 alloy: Pb 0.272727	experimental	[1] Zhou 2016 cites Zalkin 1956 doi	Table 1, p. 2, row 7 report
lattice unspecified angle	89.5 deg	298.15	αLiPb alloy: Pb 0.5	experimental	[1] Zhou 2016 cites Zalkin 1957 doi	Table 1, p. 2, row 8 report
volume printed: V0	18.6 Å3/atom	0	Li4Pb (Li22Pb5) alloy: Pb 0.2	DFT	[1] Zhou 2016	Table 4, p. 4, row 3 report
volume printed: V0	18.74 Å3/atom		Li4Pb (Li22Pb5) alloy: Pb 0.2	experimental	[1] Zhou 2016 cites Zalkin 1958 doi	Table 4, p. 4, row 4 report

Other property (1)

Other property, Li–Pb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
bulk modulus printed: B0	22.88 GPa	0	Li4Pb (Li22Pb5) alloy: Pb 0.2	DFT	[1] Zhou 2016	Table 4, p. 4, row 3 report

Sources

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

Chenyang Zhou, Cuiping Guo, Changrong Li, Zhenmin Du, Thermodynamic optimization of the Li–Pb system aided by first-principles calculations, Journal of Nuclear Materials 477, 95-101 (2016). doi:10.1016/j.jnucmat.2016.04.061

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}
}