Ca–Li phases

5 phases (tier A 4, liquid 1); 4 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 · Ca–Li system page · Markdown · field reference

Phases of the Ca–Li system (5)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:ca-li:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1124 K, x(Li) 0–1	4	1
CALI2_C14 phase:ca-li:cali2-c14	MgZn2 · C14 · hP12 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–515.52 K, x(Li) 0.66667–0.66667	4	1
FCC_A1 phase:ca-li:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–719.03 K, x(Li) 0–0.09611	4	1
HCP_A3 phase:ca-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:ca-li:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 418.05–2500 K, x(Li) 0–1	6	1

BCC_A2 (Ca–Li)

Id: phase:ca-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): 300–1124 K, x(Li) 0–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ca-li:bcc-a2
paper: paper:10.1016/s0040-6031(01)00842-5:(Li), paper:10.1016/s0040-6031(01)00842-5:βCa
tdb: tdb:CaLi-02Gro-LB.tdb:BCC_A2

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

CaLi-02Gro-LB.tdb: BCC_A2, type code %B, sha256 91ea24f374ce086f…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : CA% LI% : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/S0040-6031(01)00842-5 J. Groebner, R. Schmid-Fetzer, A. Pisch, C. Colinet, V.V. Pavlyuk, G.S. Dmytriv, D.G. Kevorkov, O.I. Bodak, Thermochim. Acta, 389, 85-94(2002).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02873196 C. W. Bale, A. D. Pelton, The Ca−Li (Calcium-Lithium) system, JPE 8, 125-127 (1987).
cited as the source of values for this phase

CALI2_C14 (Ca–Li)

Id: phase:ca-li:cali2-c14; status assigned
Structure: MgZn2 · C14 · hP12 · P6_3/mmc (194); type st:c14-mgzn2-hp12; tier A: standard phase name; confidence high
Stoichiometry: Ca 0.3333, Li 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–515.52 K, x(Li) 0.66667–0.66667
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ca-li:cali2-c14
paper: paper:10.1016/s0040-6031(01)00842-5:CaLi2
tdb: tdb:CaLi-02Gro-LB.tdb:CALI2_C14

TDB models of CALI2_C14 (1): PHASE and CONSTITUENT statements as written

CaLi-02Gro-LB.tdb: CALI2_C14, type code %, sha256 91ea24f374ce086f…

41: PHASE CALI2_C14 % 2 1 2 !
42: CONST CALI2_C14 : CA : LI : !

Example references (2 of 2; assessments first):

doi:10.1016/S0040-6031(01)00842-5 J. Groebner, R. Schmid-Fetzer, A. Pisch, C. Colinet, V.V. Pavlyuk, G.S. Dmytriv, D.G. Kevorkov, O.I. Bodak, Thermochim. Acta, 389, 85-94(2002).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02873196 C. W. Bale, A. D. Pelton, The Ca−Li (Calcium-Lithium) system, JPE 8, 125-127 (1987).
cited as the source of values for this phase

FCC_A1 (Ca–Li)

Id: phase:ca-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: stable in 1 of 1 calculated diagram(s): 300–719.03 K, x(Li) 0–0.09611
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ca-li:fcc-a1
paper: paper:10.1016/s0040-6031(01)00842-5:αCa
tdb: tdb:CaLi-02Gro-LB.tdb:FCC_A1

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

CaLi-02Gro-LB.tdb: FCC_A1, type code %A, sha256 91ea24f374ce086f…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : CA% LI : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/S0040-6031(01)00842-5 J. Groebner, R. Schmid-Fetzer, A. Pisch, C. Colinet, V.V. Pavlyuk, G.S. Dmytriv, D.G. Kevorkov, O.I. Bodak, Thermochim. Acta, 389, 85-94(2002).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02873196 C. W. Bale, A. D. Pelton, The Ca−Li (Calcium-Lithium) system, JPE 8, 125-127 (1987).
cited as the source of values for this phase

HCP_A3 (Ca–Li)

Id: phase:ca-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:ca-li:hcp-a3
tdb: tdb:CaLi-02Gro-LB.tdb:HCP_A3

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

CaLi-02Gro-LB.tdb: HCP_A3, type code %A, sha256 91ea24f374ce086f…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : CA LI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0040-6031(01)00842-5 J. Groebner, R. Schmid-Fetzer, A. Pisch, C. Colinet, V.V. Pavlyuk, G.S. Dmytriv, D.G. Kevorkov, O.I. Bodak, Thermochim. Acta, 389, 85-94(2002).
assessment that models this phase

LIQUID (Ca–Li)

Id: phase:ca-li:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 418.05–2500 K, x(Li) 0–1
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ca-li:liquid
paper: paper:10.1016/s0040-6031(01)00842-5:Liquid, paper:10.1016/s0040-6031(01)00842-5:liquid
tdb: tdb:CaLi-02Gro-LB.tdb:LIQUID

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

CaLi-02Gro-LB.tdb: LIQUID, type code %, sha256 91ea24f374ce086f…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : CA LI : !

Example references (2 of 2; assessments first):

doi:10.1016/S0040-6031(01)00842-5 J. Groebner, R. Schmid-Fetzer, A. Pisch, C. Colinet, V.V. Pavlyuk, G.S. Dmytriv, D.G. Kevorkov, O.I. Bodak, Thermochim. Acta, 389, 85-94(2002).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02873196 C. W. Bale, A. D. Pelton, The Ca−Li (Calcium-Lithium) system, JPE 8, 125-127 (1987).
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}
}