Li–Pb phases

10 phases (tier A 5, tier C 4, liquid 1); 9 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: interactive registry · full JSON · Li–Pb system page · Markdown · field reference

Phases of the Li–Pb system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:li-pb:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–456.29 K, x(Pb) 0–0	2	1
FCC_A1 phase:li-pb:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2175.61 K, x(Pb) 0.96783–1	7	1
HCP_A3 phase:li-pb:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LI3PB_D03 phase:li-pb:li3pb-d03	BiF3 · D0_3 · cF16 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–931.06 K, x(Pb) 0.25–0.25	6	1
LI4PB phase:li-pb:li4pb	Li17Pb4 · cF420 · F-43m (216)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–921.06 K, x(Pb) 0.2–0.2	9	1
LI5PB2 phase:li-pb:li5pb2	Li8Pb3 · hR11 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–915.02 K, x(Pb) 0.28571–0.28571	9	1
LI7PB2 phase:li-pb:li7pb2	Li7Pb2 · hP9 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–998.56 K, x(Pb) 0.20816–0.22222	13	1
LIPB_ALPHA phase:li-pb:lipb-alpha	alpha-LiPb · hR2 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–487.34 K, x(Pb) 0.47841–0.5114	6	1
LIPB_B2 phase:li-pb:lipb-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 459.01–755.28 K, x(Pb) 0.46061–0.50937	15	1
LIQUID phase:li-pb:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 449.29–2500 K, x(Pb) 0–1	19	1

BCC_A2 (Li–Pb)

Id: phase:li-pb:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–456.29 K, x(Pb) 0–0
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:bcc-a2
paper: paper:10.1016/j.jnucmat.2016.04.061:bcc
tdb: tdb:LiPb-16Zho.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: BCC_A2, type code %B, sha256 d85ea4e948ee390a…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : LI% PB : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase

FCC_A1 (Li–Pb)

Id: phase:li-pb:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–2175.61 K, x(Pb) 0.96783–1
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:fcc-a1
paper: paper:10.1016/j.jnucmat.2016.04.061:fcc
tdb: tdb:LiPb-16Zho.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: FCC_A1, type code %A, sha256 d85ea4e948ee390a…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : LI PB% : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1515/ijmr-1927-191-1239 J. Czochralski, E. Rassow, Z. Metallkd 19 (1927) 111e112.
cited as the source of values for this phase

HCP_A3 (Li–Pb)

Id: phase:li-pb:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:li-pb:hcp-a3
tdb: tdb:LiPb-16Zho.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: HCP_A3, type code %A, sha256 d85ea4e948ee390a…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : LI PB : VA: !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase

LI3PB_D03 (Li–Pb)

Id: phase:li-pb:li3pb-d03; status assigned
Structure: BiF3 · D0_3 · cF16 · Fm-3m (225); type st:d0-3-bif3-cf16; tier A: standard phase name; confidence high
Stoichiometry: Li 0.7500, Pb 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–931.06 K, x(Pb) 0.25–0.25
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:li3pb-d03
paper: paper:10.1016/j.jnucmat.2016.04.061:Li3Pb
tdb: tdb:LiPb-16Zho.tdb:LI3PB_D03

TDB models of LI3PB_D03 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LI3PB_D03, type code %, sha256 d85ea4e948ee390a…

54: PHASE LI3PB_D03 % 2 3 1 !
55: CONST LI3PB_D03 : LI : PB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1021/j150536a022 Allan Zalkin, William J. Ramsey, Intermetallic Compounds between Lithium and Lead. I. The Structures of Li3Pb and Li7Pb2., J. Phys. Chem. 60, 234-236 (1956).
cited as the source of values for this phase

LI4PB (Li–Pb)

Id: phase:li-pb:li4pb; status assigned
Structure: Li17Pb4 · cF420 · F-43m (216); type st:li17pb4-cf420; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Li 0.8000, Pb 0.2000
Stability: stable in 1 of 1 calculated diagram(s): 300–921.06 K, x(Pb) 0.2–0.2
Literature: 9 values (9 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:li4pb
paper: paper:10.1016/j.jnucmat.2016.04.061:Li4Pb
tdb: tdb:LiPb-16Zho.tdb:LI4PB

TDB models of LI4PB (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LI4PB, type code %, sha256 d85ea4e948ee390a…

44: PHASE LI4PB % 2 4 1 !
45: CONST LI4PB : LI : PB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1021/j150564a013 A. Zalkin, W. J. Ramsey, Intermetallic Compounds between Lithium and Lead. IV. The Crystal Structure of Li22 Pb5, J. Phys. Chem. 62, 689-693 (1958).
cited as the source of values for this phase

LI5PB2 (Li–Pb)

Id: phase:li-pb:li5pb2; status assigned
Structure: Li8Pb3 · hR11 · R-3m (166); type st:li8pb3-hr11; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Li 0.7143, Pb 0.2857
Stability: stable in 1 of 1 calculated diagram(s): 300–915.02 K, x(Pb) 0.28571–0.28571
Literature: 9 values (9 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:li5pb2
paper: paper:10.1016/j.jnucmat.2016.04.061:Li5Pb2
tdb: tdb:LiPb-16Zho.tdb:LI5PB2

TDB models of LI5PB2 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LI5PB2, type code %, sha256 d85ea4e948ee390a…

59: PHASE LI5PB2 % 2 5 2 !
60: CONST LI5PB2 : LI : PB : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase

LI7PB2 (Li–Pb)

Id: phase:li-pb:li7pb2; status assigned
Structure: Li7Pb2 · hP9 · P-3m1 (164); type st:li7pb2-hp9; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 1 of 1 calculated diagram(s): 300–998.56 K, x(Pb) 0.20816–0.22222
Literature: 13 values (13 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:li7pb2
paper: paper:10.1016/j.jnucmat.2016.04.061:Li7Pb2
tdb: tdb:LiPb-16Zho.tdb:LI7PB2

TDB models of LI7PB2 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LI7PB2, type code %, sha256 d85ea4e948ee390a…

49: PHASE LI7PB2 % 2 7 2 !
50: CONST LI7PB2 : LI : LI PB% : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1021/j150536a022 Allan Zalkin, William J. Ramsey, Intermetallic Compounds between Lithium and Lead. I. The Structures of Li3Pb and Li7Pb2., J. Phys. Chem. 60, 234-236 (1956).
cited as the source of values for this phase

LIPB_ALPHA (Li–Pb)

Id: phase:li-pb:lipb-alpha; status assigned
Structure: alpha-LiPb · hR2 · R-3m (166); type st:alpha-lipb-hr2; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 1 of 1 calculated diagram(s): 300–487.34 K, x(Pb) 0.47841–0.5114
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:lipb-alpha
paper: paper:10.1016/j.jnucmat.2016.04.061:αLiPb
tdb: tdb:LiPb-16Zho.tdb:LIPB_ALPHA

TDB models of LIPB_ALPHA (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LIPB_ALPHA, type code %, sha256 d85ea4e948ee390a…

64: PHASE LIPB_ALPHA % 2 1 1 !
65: CONST LIPB_ALPHA : LI% PB : LI PB% : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1021/j150556a034 Allan Zalkin, William J. Ramsey, Intermetallic Compounds between Lithium and Lead. III. The β1-β Transition in LiPb, J. Phys. Chem. 61, 1413-1415 (1957).
cited as the source of values for this phase

LIPB_B2 (Li–Pb)

Id: phase:li-pb:lipb-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in LiPb-16Zho.tdb also describes the disordered state
Stability: stable in 1 of 1 calculated diagram(s): 459.01–755.28 K, x(Pb) 0.46061–0.50937
Literature: 15 values (15 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:lipb-b2
paper: paper:10.1016/j.jnucmat.2016.04.061:βLiPb
tdb: tdb:LiPb-16Zho.tdb:LIPB_B2

TDB models of LIPB_B2 (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LIPB_B2, type code %, sha256 d85ea4e948ee390a…

69: PHASE LIPB_B2 % 2 1 1 !
70: CONST LIPB_B2 : LI% PB : LI PB% : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1021/j150556a034 Allan Zalkin, William J. Ramsey, Intermetallic Compounds between Lithium and Lead. III. The β1-β Transition in LiPb, J. Phys. Chem. 61, 1413-1415 (1957).
cited as the source of values for this phase
doi:10.1515/ijmr-1927-191-1239 J. Czochralski, E. Rassow, Z. Metallkd 19 (1927) 111e112.
cited as the source of values for this phase

LIQUID (Li–Pb)

Id: phase:li-pb:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 449.29–2500 K, x(Pb) 0–1
Literature: 19 values (19 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-pb:liquid
paper: paper:10.1016/j.jnucmat.2016.04.061:liq.
tdb: tdb:LiPb-16Zho.tdb:LIQUID

TDB models of LIQUID (1): PHASE and CONSTITUENT statements as written

LiPb-16Zho.tdb: LIQUID, type code %, sha256 d85ea4e948ee390a…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : LI LI4PB PB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2016.04.061 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).
assessment that models this phase; reports values for this phase
doi:10.1002/bbpc.193400038 G. Grube, H. Klaiber, Z. Elektrochem. 40 (1934) 745e754.
cited as the source of values for this phase
doi:10.1515/ijmr-1927-191-1239 J. Czochralski, E. Rassow, Z. Metallkd 19 (1927) 111e112.
cited as the source of values for this phase

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735970
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 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); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). 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_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  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}
}