Bi–Li phases

8 phases (tier A 6, liquid 1, needs_review 1); 6 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 · Bi–Li system page · Markdown · field reference

Phases of the Bi–Li system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:bi-li:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–544.55 K, x(Li) 0–0	2	1
BCC_A2 phase:bi-li:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–454.6 K, x(Li) 1–1	2	1
BILI_HT phase:bi-li:bili		needs_review	stable in 1 of 1 calculated diagram(s): 680–680 K, x(Li) 0.5–0.5	3	1
BILI_L10 phase:bi-li:bili-l10	AuCu · L1_0 · tP4 · P4/mmm (123)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–670 K, x(Li) 0.5–0.5	5	1
BILI3_D03 phase:bi-li:bili3-d03	BiF3 · D0_3 · cF16 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1431.82 K, x(Li) 0.75–0.75	8	1
FCC_A1 phase:bi-li:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
HCP_A3 phase:bi-li:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LIQUID phase:bi-li:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 453.07–2500 K, x(Li) 0–1	14	1

RHOMBOHEDRAL_A7 (Bi–Li)

Id: phase:bi-li:a7-rhombohedral; status assigned
Structure: alpha-As · A7 · hR2 · R-3m (166); type st:a7-alpha-as-hr2; tier A: standard phase name; confidence high
Stoichiometry: Bi 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–544.55 K, x(Li) 0–0
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-li:a7-rhombohedral, corpus:phase:bi-li:rhombohedral-a7
paper: paper:10.1016/j.tca.2013.01.029:Bi
tdb: tdb:BiLi-13Liu.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (1): PHASE and CONSTITUENT statements as written

BiLi-13Liu.tdb: RHOMBOHEDRAL_A7, type code %, sha256 15b3439c7d98d6a9…

45: PHASE RHOMBOHEDRAL_A7 % 1 1 !
46: CONST RHOMBOHEDRAL_A7 : BI : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase

BCC_A2 (Bi–Li)

Id: phase:bi-li: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): 300–454.6 K, x(Li) 1–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-li:bcc-a2
paper: paper:10.1016/j.tca.2013.01.029:Li
tdb: tdb:BiLi-13Liu.tdb:BCC_A2

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

BiLi-13Liu.tdb: BCC_A2, type code %B, sha256 15b3439c7d98d6a9…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : BI LI% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase

BILI_HT (Bi–Li)

Id: phase:bi-li:bili; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_row_incomplete
Candidate (dft_mp): P4/mmm (123) — on-hull MP LiBi at x(LI)=0.5000
Candidate (dft_oqmd): P4/mmm (123) — on-hull OQMD Bi1 Li1 at x(LI)=0.5000
Candidate (literature_printed): (BiLi) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (BiLi) — Hallstedt 2025 mmc2 row for BILI_HT: BiLi (high T)
Stoichiometry: Bi 0.5000, Li 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 680–680 K, x(Li) 0.5–0.5
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-li:bili, corpus:phase:bi-li:bili-ht
paper: paper:10.1016/j.tca.2013.01.029:βBiLi
tdb: tdb:BiLi-13Liu.tdb:BILI_HT

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

BiLi-13Liu.tdb: BILI_HT, type code %, sha256 15b3439c7d98d6a9…

55: PHASE BILI_HT % 2 1 1 !
56: CONST BILI_HT : BI : LI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase
doi:10.1149/1.2131401 W. Weppner, R. A. Huggins, Thermodynamic Properties of the Intermetallic Systems Lithium‐Antimony and Lithium‐Bismuth, J. Electrochem. Soc. 125, 7-14 (1978).
cited as the source of values for this phase

BILI_L10 (Bi–Li)

Id: phase:bi-li:bili-l10; status assigned
Structure: AuCu · L1_0 · tP4 · P4/mmm (123); type st:l1-0-aucu-tp4; tier A: standard phase name; confidence high
Stoichiometry: Bi 0.5000, Li 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–670 K, x(Li) 0.5–0.5
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-li:bili-l10
paper: paper:10.1016/j.tca.2013.01.029:αBiLi
tdb: tdb:BiLi-13Liu.tdb:BILI_L10

TDB models of BILI_L10 (1): PHASE and CONSTITUENT statements as written

BiLi-13Liu.tdb: BILI_L10, type code %, sha256 15b3439c7d98d6a9…

50: PHASE BILI_L10 % 2 1 1 !
51: CONST BILI_L10 : BI : LI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase
doi:10.1149/1.2131401 W. Weppner, R. A. Huggins, Thermodynamic Properties of the Intermetallic Systems Lithium‐Antimony and Lithium‐Bismuth, J. Electrochem. Soc. 125, 7-14 (1978).
cited as the source of values for this phase

BILI3_D03 (Bi–Li)

Id: phase:bi-li:bili3-d03; status assigned
Structure: BiF3 · D0_3 · cF16 · Fm-3m (225); type st:d0-3-bif3-cf16; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaabije and oqmd-10938, space group 225
Stoichiometry: Bi 0.2500, Li 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1431.82 K, x(Li) 0.75–0.75
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:bi-li:bili3-d03
mp: mp:mp-aaaabije
oqmd: oqmd:oqmd-10938
paper: paper:10.1016/j.tca.2013.01.029:BiLi3
tdb: tdb:BiLi-13Liu.tdb:BILI3_D03

TDB models of BILI3_D03 (1): PHASE and CONSTITUENT statements as written

BiLi-13Liu.tdb: BILI3_D03, type code %, sha256 15b3439c7d98d6a9…

60: PHASE BILI3_D03 % 2 1 3 !
61: CONST BILI3_D03 : BI : LI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase
doi:10.1149/1.2131401 W. Weppner, R. A. Huggins, Thermodynamic Properties of the Intermetallic Systems Lithium‐Antimony and Lithium‐Bismuth, J. Electrochem. Soc. 125, 7-14 (1978).
cited as the source of values for this phase

FCC_A1 (Bi–Li)

Id: phase:bi-li:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; 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:bi-li:fcc-a1
tdb: tdb:BiLi-13Liu.tdb:FCC_A1

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

BiLi-13Liu.tdb: FCC_A1, type code %A, sha256 15b3439c7d98d6a9…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : BI LI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase

HCP_A3 (Bi–Li)

Id: phase:bi-li: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:bi-li:hcp-a3
tdb: tdb:BiLi-13Liu.tdb:HCP_A3

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

BiLi-13Liu.tdb: HCP_A3, type code %A, sha256 15b3439c7d98d6a9…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : BI LI : VA: !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase

LIQUID (Bi–Li)

Id: phase:bi-li:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 453.07–2500 K, x(Li) 0–1
Literature: 14 values (14 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-li:liquid
paper: paper:10.1016/j.tca.2013.01.029:liq, paper:10.1016/j.tca.2013.01.029:liquid
tdb: tdb:BiLi-13Liu.tdb:LIQUID

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

BiLi-13Liu.tdb: LIQUID, type code %, sha256 15b3439c7d98d6a9…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : BI BILI3 LI : !

Example references (3 of 3; assessments first):

doi:10.1016/j.tca.2013.01.029 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).
assessment that models this phase; reports values for this phase
doi:10.1149/1.2131401 W. Weppner, R. A. Huggins, Thermodynamic Properties of the Intermetallic Systems Lithium‐Antimony and Lithium‐Bismuth, J. Electrochem. Soc. 125, 7-14 (1978).
cited as the source of values for this phase
doi:10.1007/bf02645966 J. Sangster, A.D. Pelton, The Bi–Li (bismuth–lithium) system, J. Phase Equilib. 12 (1991) 447–450.
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}
}