Li–Sb phases

8 phases (tier A 6, tier C 1, liquid 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 · Li–Sb system page · Markdown · field reference

Phases of the Li–Sb system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:li-sb:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–903.78 K, x(Sb) 1–1	7	2
BCC_A2 phase:li-sb:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–453.6 K, x(Sb) 0–0	4	2
FCC_A1 phase:li-sb:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
HCP_A3 phase:li-sb:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
LI2SB phase:li-sb:li2sb	GaMg2 · hP18 · P-62c (190)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–864.15 K, x(Sb) 0.33333–0.33333	26	2
LI3SB_D018 phase:li-sb:li3sb-d018	Na3As · D0_18 · hP8 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1580.27 K, x(Sb) 0.25–0.25	7	2
LI3SB_D03 phase:li-sb:li3sb-d03	BiF3 · D0_3 · cF16 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1160.49 K, x(Sb) 0.25–0.25	7	1
LIQUID phase:li-sb:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 441.35–2500 K, x(Sb) 0–1	172	2

RHOMBOHEDRAL_A7 (Li–Sb)

Id: phase:li-sb: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: Sb 1.0000
Stability: stable in 2 of 2 calculated diagram(s): 300–903.78 K, x(Sb) 1–1
Literature: 7 values (7 accepted) from 2 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:li-sb:a7-rhombohedral, corpus:phase:li-sb:rhombohedral-a7
paper: paper:10.1016/j.calphad.2017.01.005:(Sb), paper:10.1016/j.jallcom.2016.12.399:(Sb)
tdb: tdb:LiSb-17Li.tdb:RHOMBOHEDRAL_A7, tdb:LiSb-17Zha.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (2): PHASE and CONSTITUENT statements as written

LiSb-17Li.tdb: RHOMBOHEDRAL_A7, type code %, sha256 3680314cebef8591…

47: PHASE RHOMBOHEDRAL_A7 % 1 1 !
48: CONST RHOMBOHEDRAL_A7 : SB : !

LiSb-17Zha.tdb: RHOMBOHEDRAL_A7, type code %, sha256 69f9831503080727…

49: PHASE RHOMBOHEDRAL_A7 % 1 1 !
50: CONST RHOMBOHEDRAL_A7 : SB : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase; reports values for this phase

BCC_A2 (Li–Sb)

Id: phase:li-sb: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 2 of 2 calculated diagram(s): 300–453.6 K, x(Sb) 0–0
Literature: 4 values (4 accepted) from 2 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:li-sb:bcc-a2
paper: paper:10.1016/j.calphad.2017.01.005:(Li), paper:10.1016/j.jallcom.2016.12.399:(Li)
tdb: tdb:LiSb-17Li.tdb:BCC_A2, tdb:LiSb-17Zha.tdb:BCC_A2

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

LiSb-17Li.tdb: BCC_A2, type code %B, sha256 3680314cebef8591…

37: PHASE BCC_A2 %B 2 1 3 !
38: CONST BCC_A2 : LI% SB : VA : !

LiSb-17Zha.tdb: BCC_A2, type code %B, sha256 69f9831503080727…

39: PHASE BCC_A2 %B 2 1 3 !
40: CONST BCC_A2 : LI% SB : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase; reports values for this phase

FCC_A1 (Li–Sb)

Id: phase:li-sb: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 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-sb:fcc-a1
tdb: tdb:LiSb-17Li.tdb:FCC_A1, tdb:LiSb-17Zha.tdb:FCC_A1

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

LiSb-17Li.tdb: FCC_A1, type code %A, sha256 3680314cebef8591…

32: PHASE FCC_A1 %A 2 1 1 !
33: CONST FCC_A1 : LI SB : VA : !

LiSb-17Zha.tdb: FCC_A1, type code %A, sha256 69f9831503080727…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : LI SB : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase

HCP_A3 (Li–Sb)

Id: phase:li-sb: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 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-sb:hcp-a3
tdb: tdb:LiSb-17Li.tdb:HCP_A3, tdb:LiSb-17Zha.tdb:HCP_A3

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

LiSb-17Li.tdb: HCP_A3, type code %A, sha256 3680314cebef8591…

42: PHASE HCP_A3 %A 2 1 0.5 !
43: CONST HCP_A3 : LI SB : VA : !

LiSb-17Zha.tdb: HCP_A3, type code %A, sha256 69f9831503080727…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : LI SB : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase

LI2SB (Li–Sb)

Id: phase:li-sb:li2sb; status assigned
Structure: GaMg2 · hP18 · P-62c (190); type st:gamg2-hp18; 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 (mp_oqmd_space_groups_differ, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Li 0.6667, Sb 0.3333
Stability: stable in 2 of 2 calculated diagram(s): 300–864.15 K, x(Sb) 0.33333–0.33333
Literature: 26 values (26 accepted) from 2 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:li-sb:li2sb
paper: paper:10.1016/j.calphad.2017.01.005:Li2Sb, paper:10.1016/j.jallcom.2016.12.399:Li2Sb
tdb: tdb:LiSb-17Li.tdb:LI2SB, tdb:LiSb-17Zha.tdb:LI2SB

TDB models of LI2SB (2): PHASE and CONSTITUENT statements as written

LiSb-17Li.tdb: LI2SB, type code %, sha256 3680314cebef8591…

57: PHASE LI2SB % 2 2 1 !
58: CONST LI2SB : LI : SB : !

LiSb-17Zha.tdb: LI2SB, type code %, sha256 69f9831503080727…

64: PHASE LI2SB % 2 2 1 !
65: CONST LI2SB : LI : SB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2016.02.235 Sylwia Terlicka, Adam Dębski, Przemyslaw Fima, Enthalpy of formation of Li2Sb and Li3Sb and mixing enthalpy of liquid Li–Sb alloys, Journal of Alloys and Compounds 673, 272-277 (2016).
cited as the source of values for this phase

LI3SB_D018 (Li–Sb)

Id: phase:li-sb:li3sb-d018; status assigned
Structure: Na3As · D0_18 · hP8 · P6_3/mmc (194); type st:d0-18-na3as-hp8; tier A: standard phase name; confidence high
Stoichiometry: Li 0.7500, Sb 0.2500
Stability: stable in 2 of 2 calculated diagram(s): 300–1580.27 K, x(Sb) 0.25–0.25
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:li-sb:li3sb-d018
paper: paper:10.1016/j.jallcom.2016.12.399:Li3Sb
tdb: tdb:LiSb-17Li.tdb:LI3SB_D018, tdb:LiSb-17Zha.tdb:LI3SB_D018

TDB models of LI3SB_D018 (2): PHASE and CONSTITUENT statements as written

LiSb-17Li.tdb: LI3SB_D018, type code %, sha256 3680314cebef8591…

52: PHASE LI3SB_D018 % 2 3 1 !
53: CONST LI3SB_D018 : LI : SB : !

LiSb-17Zha.tdb: LI3SB_D018, type code %, sha256 69f9831503080727…

59: PHASE LI3SB_D018 % 2 3 1 !
60: CONST LI3SB_D018 : LI : SB : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase

LI3SB_D03 (Li–Sb)

Id: phase:li-sb:li3sb-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, Sb 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1160.49 K, x(Sb) 0.25–0.25
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:li-sb:li3sb-d03
paper: paper:10.1016/j.calphad.2017.01.005:αLi3Sb
tdb: tdb:LiSb-17Zha.tdb:LI3SB_D03

TDB models of LI3SB_D03 (1): PHASE and CONSTITUENT statements as written

LiSb-17Zha.tdb: LI3SB_D03, type code %, sha256 69f9831503080727…

54: PHASE LI3SB_D03 % 2 3 1 !
55: CONST LI3SB_D03 : LI : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase; reports values for this phase

LIQUID (Li–Sb)

Id: phase:li-sb:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 441.35–2500 K, x(Sb) 0–1
Literature: 172 values (172 accepted) from 2 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:li-sb:liquid
paper: paper:10.1016/j.calphad.2017.01.005:Liquid, paper:10.1016/j.jallcom.2016.12.399:L, paper:10.1016/j.jallcom.2016.12.399:liquid
tdb: tdb:LiSb-17Li.tdb:LIQUID, tdb:LiSb-17Zha.tdb:LIQUID

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

LiSb-17Li.tdb: LIQUID, type code %, sha256 3680314cebef8591…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : LI LI3SB SB : !

LiSb-17Zha.tdb: LIQUID, type code %, sha256 69f9831503080727…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : LI LI3SB SB : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2016.12.399 D. Li, A. Beutl, H. Flandorfer, D.M. Cupid, The Li-Sb phase diagram part II: Calorimetry and thermodynamic assessment, Journal of Alloys and Compounds 701, 186-199 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.01.005 Fan Zhang, Shuhong Liu, Jianchuan Wang, Yong Du, Lixian Sun, Experimental investigation and thermodynamic assessment of the Li-Sb system, Calphad 57, 28-36 (2017).
assessment that models this phase; reports 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}
}