Pb–Te system

41 accepted literature values from 4 paper(s) (experimental 17, model 12, DFT 12); 5 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 (7) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	17
model	12
DFT	12

Accepted values by property group
Property group	Values
invariant reaction	12
phase transition	7
formation	22

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
PbTe-09Gie.tdb	W. Gierlotka, J. Lapsa, D. Jendrzejczyk-Handzlik, J. Alloys Compd., 479, 152-56(2009). doi:10.1016/j.jallcom.2008.12.083	`1d05106b6376c8f0518d08cd839cb130cbe42eee8d0581a278be2e06a8caaebe`	viewer · TDB · JSON
PbTe-09Liu.tdb	Y. Liu, L. Zhang, D. Yu, J. Electron. Mater., 38, 2033-45(2009). doi:10.1007/s11664-009-0875-3	`edccadcbcc684b2ccf2987be877f25a86d8a589b6baadd46eb6cc09603d971d7`	viewer · TDB · JSON
PbTe-10Gie.tdb	W. Gierlotka, J. Lapsa, K. Fitzner, J. Phase Equilib. Diffus., 31, 509-17(2010). doi:10.1007/s11669-010-9791-8	`ffb7d7dfb04a30b6275e887df22917c9ee4304354d89528bb8f39555904a5ef7`	viewer · TDB · JSON
PbTe-15Baj.tdb	S. Bajaj, G.S. Pomrehn, J.W. Doak, W. Gierlotka, H.-J. Wu, S.-W. Chen, C. Wolverton, W.A. Goddard, G.J. Snyder, Acta Mater., 92, 72-80(2015). doi:10.1016/j.actamat.2015.03.034	`e1bad0890740970fccdf61400eb9f401868fe63e11aaf03b51fafb6ba4fd9675`	viewer · TDB · JSON
PbTe-86Kat.tdb	U. Kattner, H.L. Lukas, G. Petzow, Calphad, 10, 103-16(1986). doi:10.1016/0364-5916(86)90015-5	`c309772d299befd6ebe5c7ec98f85ee6598d06cbe6d33b578b1772d0c2e4dfb1`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
PbTe-09Gie.tdb	689.29	PBTE_B1 (x(Te) 0.5001) + ION (x(Te) 0.89736) + HEXAGONAL_A8 (x(Te) 1)
PbTe-09Gie.tdb	600.06	FCC_A1 (x(Te) 0) + ION (x(Te) 8.700e-4) + PBTE_B1 (x(Te) 0.5)
PbTe-09Liu.tdb	686.83	PBTE_B1 (x(Te) 0.5) + LIQUID (x(Te) 0.88898) + HEXAGONAL_A8 (x(Te) 1)
PbTe-09Liu.tdb	599.8	FCC_A1 (x(Te) 0) + LIQUID (x(Te) 0.00131) + PBTE_B1 (x(Te) 0.5)
PbTe-10Gie.tdb	702.56	PBTE_B1 (x(Te) 0.5) + LIQUID (x(Te) 0.93064) + HEXAGONAL_A8 (x(Te) 1)
PbTe-10Gie.tdb	600.2	FCC_A1 (x(Te) 0) + LIQUID (x(Te) 6.600e-4) + PBTE_B1 (x(Te) 0.5)
PbTe-15Baj.tdb	690.98	PBTE_B1 (x(Te) 0.50007) + LIQUID (x(Te) 0.90978) + HEXAGONAL_A8 (x(Te) 1)
PbTe-15Baj.tdb	600.36	FCC_A1 (x(Te) 0) + LIQUID (x(Te) 4.000e-4) + PBTE_B1 (x(Te) 0.5)
PbTe-86Kat.tdb	689.06	PBTE_B1 (x(Te) 0.50004) + LIQUID (x(Te) 0.89278) + HEXAGONAL_A8 (x(Te) 1)
PbTe-86Kat.tdb	600.02	FCC_A1 (x(Te) 0) + LIQUID (x(Te) 9.500e-4) + PBTE_B1 (x(Te) 0.5)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull PbTe-09Gie · CALPHAD hull PbTe-09Liu · CALPHAD hull PbTe-10Gie · CALPHAD hull PbTe-86Kat

Invariant reactions (literature)

Invariant reactions reported in the literature for the Pb–Te system (12)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
689.3	eutectic: L -> PbTe + HEXAGONAL_A8	L: Te 0.8974; PbTe: Te 0.5; HEXAGONAL_A8: Te 1	model	[1] Gierlotka 2009	Table 3, p. 4, row 3 report
689.29	eutectic: Te-rich eutectic	L: Te 0.8926; PbTe: Te 0.5; (Te): Te 1	model	[2] Kattner 1986	Table 5, p. 11, row 3 report
686.6	liq <-> hex + PbTe	L: Te 0.89; hex: Te 1; PbTe: Te 0.5	model	[3] Liu 2009	Table V, p. 9, row 8 report
686	liq <-> hex + PbTe	L: Te 0.893; hex: Te 1; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Moniri 1978	Table V, p. 9, row 11 report
685	liq <-> hex + PbTe	L: Te 0.837; hex: Te 1; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Kimura 1915	Table V, p. 9, row 9 report
684	liq <-> hex + PbTe	L: Te 0.8913; hex: Te 1; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Ngai 1987 doi	Table V, p. 9, row 12 report
673	liq <-> hex + PbTe	L: Te 0.852; hex: Te 1; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Fay 1902	Table V, p. 9, row 13 report
651	liq <-> hex + PbTe	L: Te 0.82; hex: Te 1; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Lugscheider 1965 doi	Table V, p. 9, row 10 report
600.1	eutectic: L -> PbTe + FCC_A1	L: Te 8.735e-4; PbTe: Te 0.5; FCC_A1: Te 0	model	[1] Gierlotka 2009	Table 3, p. 4, row 1 report
600.06	eutectic: Pb-rich eutectic	L: Te 0.001; (Pb): Te 1.000e-4; PbTe: Te 0.5	model	[2] Kattner 1986	Table 5, p. 11, row 2 report
599.8	liq <-> Pb + PbTe	L: Te 0.04; Pb: Te 0; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Greenwood 1939	Table V, p. 9, row 2 report
599.8	liq <-> Pb + PbTe	L: Te 0.00132; Pb: Te 0; PbTe: Te 0.5	model	[3] Liu 2009	Table V, p. 9, 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, Pb–Te system (10)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
PbTe		-47.2 kJ/mol (basis unstated)	737	experimental			[1] Gierlotka 2009 cites Castanet 1972	Table 4, p. 5, row 5 report
PbTe	PbTe	-36.05 kJ/mol-atom	298.15	experimental	-39.148 (mp-aaaabdej)	-39.511 (oqmd-1856648)	[3] Liu 2009 cites Castanet 1972	Table IV, p. 9, row 3 report
PbTe	PbTe	-35.15 kJ/mol-atom	298.15	experimental	-39.148 (mp-aaaabdej)	-39.511 (oqmd-1856648)	[3] Liu 2009 cites McAteer 1936 doi	Table IV, p. 9, row 1 report
PbTe		-35.146 kJ/mol (basis unstated)	298.15	experimental			[1] Gierlotka 2009 cites Hirayama 1964 doi	Table 4, p. 5, row 2 report
PbTe	PbTe	-34.4 kJ/mol-atom	298.15	model	-39.148 (mp-aaaabdej)	-39.511 (oqmd-1856648)	[3] Liu 2009	Table IV, p. 9, row 4 report
PbTe	PbTe	-34.3 kJ/mol-atom	298.15	experimental	-39.148 (mp-aaaabdej)	-39.511 (oqmd-1856648)	[3] Liu 2009 cites Robinson 1966	Table IV, p. 9, row 2 report
PbTe		-34.267 kJ/mol (basis unstated)	273	experimental			[1] Gierlotka 2009 cites Robinson 1966	Table 4, p. 5, row 4 report
PbTe		-32.532 kJ/mol (basis unstated)	298.15	model			[1] Gierlotka 2009	Table 4, p. 5, row 1 report
PbTe		-32.532 kJ/mol (basis unstated)	298.15	model			[1] Gierlotka 2009	p. 5 report	Calculated enthalpy of formation of PbTe intermetallic compound at 298 K is equal -32532 J/mol which shows very good agreement with the values reported in the literature.
PbTe		-23.809 kJ/mol (basis unstated)	295	experimental			[1] Gierlotka 2009 cites Fabre 1887	Table 4, p. 5, row 3 report

Other properties

Phase transition (7)

Phase transition, Pb–Te system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	1177 K	1177	liq <-> PbTe L: Te 0.5; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Kimura 1915	Table V, p. 9, row 4 report
Phase transition	1187 K	1187	liq <-> PbTe L: Te 0.5; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Lugscheider 1965 doi	Table V, p. 9, row 5 report
Phase transition	1190 K	1190	liq <-> PbTe L: Te 0.5; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Fay 1902	Table V, p. 9, row 7 report
Phase transition	1192 K	1192	liq <-> PbTe L: Te 0.5; PbTe: Te 0.5	model	[3] Liu 2009	Table V, p. 9, row 3 report
Phase transition	1195 K	1195	L -> PbTe L: Te 0.5; PbTe: Te 0.5	model	[1] Gierlotka 2009	Table 3, p. 4, row 2 report
Phase transition	1195.89 K	1195.89	congruent melting: Congruent melting point of PbTe PbTe: Te 0.5001	model	[2] Kattner 1986	Table 5, p. 11, row 1 report
Phase transition	1197 K	1197	liq <-> PbTe L: Te 0.5; PbTe: Te 0.5	experimental	[3] Liu 2009 cites Miller 1966	Table V, p. 9, row 6 report

Formation (12)

Formation, Pb–Te system
Property	Value	T (K)	Phases / composition	Class	Source	Location
defect formation energy printed: ΔHd,q	2.71 eV/defect	300	PbTe alloy: Te 1	DFT	[4] Bajaj 2015	Table 1, p. 6, row 5 report
defect formation energy printed: ΔHd,q	0.35 eV/defect	300	PbTe alloy: Te 0.5	DFT	[4] Bajaj 2015	Table 1, p. 6, row 7 report
defect formation energy printed: ΔHd,q	0.72 eV/defect	300	PbTe alloy: Te 0.5	DFT	[4] Bajaj 2015	Table 1, p. 6, row 1 report
defect formation energy printed: ΔHd,q	1.32 eV/defect	300	PbTe alloy: Te 0.5	DFT	[4] Bajaj 2015	Table 1, p. 6, row 9 report
defect formation energy printed: ΔHd,q	1.49 eV/defect	300	PbTe alloy: Te 0	DFT	[4] Bajaj 2015	Table 1, p. 6, row 4 report
defect formation energy printed: ΔHd,q	2.04 eV/defect	300	PbTe alloy: Te 0	DFT	[4] Bajaj 2015	Table 1, p. 6, row 10 report
defect formation energy printed: ΔHd,q	3.29 eV/defect	300	PbTe alloy: Te 0	DFT	[4] Bajaj 2015	Table 1, p. 6, row 12 report
defect formation energy printed: ΔHd,q	0.95 eV/defect	300	PbTe alloy: Te 0.5	DFT	[4] Bajaj 2015	Table 1, p. 6, row 2 report
defect formation energy printed: ΔHd,q	3.73 eV/defect	300	PbTe alloy: Te 1	DFT	[4] Bajaj 2015	Table 1, p. 6, row 6 report
defect formation energy printed: ΔHd,q	0.87 eV/defect	300	PbTe alloy: Te 1	DFT	[4] Bajaj 2015	Table 1, p. 6, row 8 report
defect formation energy printed: ΔHd,q	1.44 eV/defect	300	PbTe alloy: Te 0	DFT	[4] Bajaj 2015	Table 1, p. 6, row 3 report
defect formation energy printed: ΔHd,q	2.78 eV/defect	300	PbTe alloy: Te 1	DFT	[4] Bajaj 2015	Table 1, p. 6, row 11 report

Sources

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

Wojciech Gierlotka, Joanna Łapsa, Dominika Jendrzejczyk-Handzlik, Thermodynamic description of the Pb–Te system using ionic liquid model, Journal of Alloys and Compounds 479, 152-156 (2009). doi:10.1016/j.jallcom.2008.12.083
U. Kattner, H.L. Lukas, G. Petzow, Optimization and calculation of the PB — TE system, Calphad 10, 103-116 (1986). doi:10.1016/0364-5916(86)90015-5
Yajun Liu, Lijun Zhang, Di Yu, Thermodynamic Descriptions for the Cd-Te, Pb-Te, Cd-Pb and Cd-Pb-Te Systems, Journal of Elec Materi 38, 2033-2045 (2009). doi:10.1007/s11664-009-0875-3
Saurabh Bajaj, Gregory S. Pomrehn, Jeff W. Doak, Wojciech Gierlotka, Hsin-jay Wu, Sinn-Wen Chen et al., Ab initio study of intrinsic point defects in PbTe: an insight into phase stability, Acta Materialia 92, 72-80 (2015). doi:10.1016/j.actamat.2015.03.034

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}
}