C–Li phases

10 phases (tier A 5, tier C 3, liquid 1, gas 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 · C–Li system page · Markdown · field reference

Phases of the C–Li system (10)
Phase	Structure	Basis	Stability (calculated)	TDB models
DIAMOND_A4 phase:c-li:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
GRAPHITE_A9 phase:c-li:a9-graphite	C (graphite) · A9 · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–3999.5 K, x(C) 1–1	2
BCC_A2 phase:c-li:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–3999.85 K, x(C) 0–0	2
FCC_A1 phase:c-li:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
GAS phase:c-li:gas	gas	gas	stable in 2 of 2 calculated diagram(s): 1611.4–4000 K, x(C) 0–1	2
HCP_A3 phase:c-li:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
LI2C2_ALPHA phase:c-li:li2c2-alpha	Rb2O2 · oI8 · Immm (71)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–725.35 K, x(C) 0.5–0.5	2
LI2C2_C1 phase:c-li:li2c2-c1	CaF2 · C1 · cF12 · Fm-3m (225)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 725–1322.36 K, x(C) 0.5–0.5	2
LIC6 phase:c-li:lic6	LiC6 · hP7 · P6/mmm (191)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	not stable in 2 calculated diagram(s)	2
LIQUID phase:c-li:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 453.6–3999.85 K, x(C) 0–0.50176	2

DIAMOND_A4 (C–Li)

Id: phase:c-li:a4-diamond; status assigned
Structure: C (diamond) · A4 · cF8 · Fd-3m (227); type st:a4-c-diamond-cf8; tier A: standard phase name; confidence high
Stoichiometry: C 1.0000
Stability: not stable in 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:a4-diamond
tdb: tdb:LiC-13Koz.tdb:DIAMOND_A4, tdb:LiC-17Lia.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: DIAMOND_A4, type code %, sha256 2e16ee01fc9080d4…

52: PHASE DIAMOND_A4 % 1 1 !
53: CONST DIAMOND_A4 : C : !

LiC-17Lia.tdb: DIAMOND_A4, type code %, sha256 8b41b4fd50a770cf…

58: PHASE DIAMOND_A4 % 1 1 !
59: CONST DIAMOND_A4 : C : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

GRAPHITE_A9 (C–Li)

Id: phase:c-li:a9-graphite; status assigned
Structure: C (graphite) · A9 · hP4 · P6_3/mmc (194); type st:a9-c-graphite-hp4; tier A: standard phase name; confidence high
Stoichiometry: C 1.0000
Stability: stable in 2 of 2 calculated diagram(s): 300–3999.5 K, x(C) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:a9-graphite
tdb: tdb:LiC-13Koz.tdb:GRAPHITE_A9, tdb:LiC-17Lia.tdb:GRAPHITE_A9

TDB models of GRAPHITE_A9 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: GRAPHITE_A9, type code %, sha256 2e16ee01fc9080d4…

57: PHASE GRAPHITE_A9 % 1 1 !
58: CONST GRAPHITE_A9 : C : !

LiC-17Lia.tdb: GRAPHITE_A9, type code %, sha256 8b41b4fd50a770cf…

63: PHASE GRAPHITE_A9 % 1 1 !
64: CONST GRAPHITE_A9 : C : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

BCC_A2 (C–Li)

Id: phase:c-li:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Li 1.0000
Stability: stable in 2 of 2 calculated diagram(s): 300–3999.85 K, x(C) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:bcc-a2
tdb: tdb:LiC-13Koz.tdb:BCC_A2, tdb:LiC-17Lia.tdb:BCC_A2

TDB models of BCC_A2 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: BCC_A2, type code %B, sha256 2e16ee01fc9080d4…

42: PHASE BCC_A2 %B 2 1 3 !
43: CONST BCC_A2 : LI : VA : !

LiC-17Lia.tdb: BCC_A2, type code %B, sha256 8b41b4fd50a770cf…

48: PHASE BCC_A2 %B 2 1 3 !
49: CONST BCC_A2 : LI : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

FCC_A1 (C–Li)

Id: phase:c-li:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Li 1.0000
Stability: not stable in 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:fcc-a1
tdb: tdb:LiC-13Koz.tdb:FCC_A1, tdb:LiC-17Lia.tdb:FCC_A1

TDB models of FCC_A1 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: FCC_A1, type code %A, sha256 2e16ee01fc9080d4…

37: PHASE FCC_A1 %A 2 1 1 !
38: CONST FCC_A1 : LI : VA : !

LiC-17Lia.tdb: FCC_A1, type code %A, sha256 8b41b4fd50a770cf…

43: PHASE FCC_A1 %A 2 1 1 !
44: CONST FCC_A1 : LI : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

GAS (C–Li)

Id: phase:c-li:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 1611.4–4000 K, x(C) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:gas
tdb: tdb:LiC-13Koz.tdb:GAS, tdb:LiC-17Lia.tdb:GAS

TDB models of GAS (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: GAS, type code %, sha256 2e16ee01fc9080d4…

75: PHASE GAS:G % 1 1 !
76: CONST GAS:G : C C2 C3 C4 C5 C60 LI LI2 : !

LiC-17Lia.tdb: GAS, type code %, sha256 8b41b4fd50a770cf…

81: PHASE GAS:G % 1 1 !
82: CONST GAS:G : C C2 C3 C4 C5 C60 LI LI2 : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

HCP_A3 (C–Li)

Id: phase:c-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
Stoichiometry: Li 1.0000
Stability: not stable in 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:hcp-a3
tdb: tdb:LiC-13Koz.tdb:HCP_A3, tdb:LiC-17Lia.tdb:HCP_A3

TDB models of HCP_A3 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: HCP_A3, type code %, sha256 2e16ee01fc9080d4…

47: PHASE HCP_A3 % 2 1 0.5 !
48: CONST HCP_A3 : LI : VA : !

LiC-17Lia.tdb: HCP_A3, type code %, sha256 8b41b4fd50a770cf…

53: PHASE HCP_A3 % 2 1 0.5 !
54: CONST HCP_A3 : LI : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

LI2C2_ALPHA (C–Li)

Id: phase:c-li:li2c2-alpha; status assigned
Structure: Rb2O2 · oI8 · Immm (71); type st:rb2o2-oi8; 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, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: C 0.5000, Li 0.5000
Stability: stable in 2 of 2 calculated diagram(s): 300–725.35 K, x(C) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:li2c2-alpha
tdb: tdb:LiC-13Koz.tdb:LI2C2_ALPHA, tdb:LiC-17Lia.tdb:LI2C2_ALPHA

TDB models of LI2C2_ALPHA (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: LI2C2_ALPHA, type code %, sha256 2e16ee01fc9080d4…

62: PHASE LI2C2_ALPHA % 2 1 1 !
63: CONST LI2C2_ALPHA : LI : C : !

LiC-17Lia.tdb: LI2C2_ALPHA, type code %, sha256 8b41b4fd50a770cf…

68: PHASE LI2C2_ALPHA % 2 1 1 !
69: CONST LI2C2_ALPHA : LI : C : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

LI2C2_C1 (C–Li)

Id: phase:c-li:li2c2-c1; status assigned
Structure: CaF2 · C1 · cF12 · Fm-3m (225); type st:c1-caf2-cf12; 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, polymorph_family:other phases of this system have the same composition, structure_token_is_also_a_formula); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: C 0.5000, Li 0.5000
Stability: stable in 2 of 2 calculated diagram(s): 725–1322.36 K, x(C) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:li2c2-c1
tdb: tdb:LiC-13Koz.tdb:LI2C2_C1, tdb:LiC-17Lia.tdb:LI2C2_C1

TDB models of LI2C2_C1 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: LI2C2_C1, type code %, sha256 2e16ee01fc9080d4…

67: PHASE LI2C2_C1 % 2 1 1 !
68: CONST LI2C2_C1 : LI : C : !

LiC-17Lia.tdb: LI2C2_C1, type code %, sha256 8b41b4fd50a770cf…

73: PHASE LI2C2_C1 % 2 1 1 !
74: CONST LI2C2_C1 : LI : C : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

LIC6 (C–Li)

Id: phase:c-li:lic6; status assigned
Structure: LiC6 · hP7 · P6/mmm (191); type st:lic6-hp7; 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: C 0.8571, Li 0.1429
Stability: not stable in 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:lic6
tdb: tdb:LiC-13Koz.tdb:LIC6, tdb:LiC-17Lia.tdb:LIC6

TDB models of LIC6 (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: LIC6, type code %, sha256 2e16ee01fc9080d4…

72: PHASE LIC6 % 2 1 6 !
73: CONST LIC6 : LI : C : !

LiC-17Lia.tdb: LIC6, type code %, sha256 8b41b4fd50a770cf…

78: PHASE LIC6 % 2 1 6 !
79: CONST LIC6 : LI : C : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models this phase

LIQUID (C–Li)

Id: phase:c-li:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 453.6–3999.85 K, x(C) 0–0.50176
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:c-li:liquid
tdb: tdb:LiC-13Koz.tdb:LIQUID, tdb:LiC-17Lia.tdb:LIQUID

TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written

LiC-13Koz.tdb: LIQUID, type code %, sha256 2e16ee01fc9080d4…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : C LI : !

LiC-17Lia.tdb: LIQUID, type code %, sha256 8b41b4fd50a770cf…

38: PHASE LIQUID:L % 1 1 !
39: CONST LIQUID:L : C LI LI2C2 : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.271 Song-Mao Liang, Martin Drüe, Artem Kozlov, Markus Rettenmayr, Rainer Schmid-Fetzer, Key experiments and challenging thermodynamic modeling of the Li-Si-C system, Journal of Alloys and Compounds 698, 743-753 (2017).
assessment that models this phase
doi:10.3139/146.110960 A. Kozlov, M. Seyring, M. Drue, M. Rettenmayr, R. Schmid-Fetzer, Int. J. Mater. Res., 104, 1066-78(2013).
assessment that models 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}
}