K–Sb phases

9 phases (tier A 5, tier B 2, tier C 1, liquid 1); 7 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 · K–Sb system page · Markdown · field reference

Phases of the K–Sb system (9)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:k-sb:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–903.78 K, x(Sb) 1–1	3	1
BCC_A2 phase:k-sb:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–336.53 K, x(Sb) 0–0	2	1
FCC_A1 phase:k-sb: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:k-sb:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
K3SB_D018 phase:k-sb:k3sb-d018	Na3As · D0_18 · hP8 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1112.34 K, x(Sb) 0.25–0.25	6	1
K5SB4 phase:k-sb:k5sb4	Bi4K5 · mC18 · C2/m (12)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–777.23 K, x(Sb) 0.44444–0.44444	5	1
KSB phase:k-sb:ksb	LiAs · mP16 · P2_1/c (14)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–887.55 K, x(Sb) 0.5–0.5	11	1
KSB2 phase:k-sb:ksb2	KSb2 · mC12 · C2/m (12)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–671.16 K, x(Sb) 0.66667–0.66667	7	1
LIQUID phase:k-sb:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 336.53–2500 K, x(Sb) 0–1	21	1

RHOMBOHEDRAL_A7 (K–Sb)

Id: phase:k-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 1 of 1 calculated diagram(s): 300–903.78 K, x(Sb) 1–1
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:k-sb:a7-rhombohedral, corpus:phase:k-sb:rhombohedral-a7
paper: paper:10.1016/j.tca.2013.07.009:Sb
tdb: tdb:KSb-13Liu.tdb:RHOMBOHEDRAL_A7

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

KSb-13Liu.tdb: RHOMBOHEDRAL_A7, type code %, sha256 74f0dfc1d973f462…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase

BCC_A2 (K–Sb)

Id: phase:k-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 1 of 1 calculated diagram(s): 300–336.53 K, x(Sb) 0–0
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:k-sb:bcc-a2
paper: paper:10.1016/j.tca.2013.07.009:K
tdb: tdb:KSb-13Liu.tdb:BCC_A2

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

KSb-13Liu.tdb: BCC_A2, type code %B, sha256 74f0dfc1d973f462…

36: PHASE BCC_A2 %B 2 1 3 !
37: CONST BCC_A2 : K% SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase

FCC_A1 (K–Sb)

Id: phase:k-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 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:k-sb:fcc-a1
tdb: tdb:KSb-13Liu.tdb:FCC_A1

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

KSb-13Liu.tdb: FCC_A1, type code %A, sha256 74f0dfc1d973f462…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : K SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase

HCP_A3 (K–Sb)

Id: phase:k-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 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:k-sb:hcp-a3
tdb: tdb:KSb-13Liu.tdb:HCP_A3

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

KSb-13Liu.tdb: HCP_A3, type code %A, sha256 74f0dfc1d973f462…

41: PHASE HCP_A3 %A 2 1 0.5 !
42: CONST HCP_A3 : K SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase

K3SB_D018 (K–Sb)

Id: phase:k-sb:k3sb-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
Caveat: DFT agrees: on-hull mp-aaaaautd and oqmd-5160, space group 194
Stoichiometry: K 0.7500, Sb 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1112.34 K, x(Sb) 0.25–0.25
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:k-sb:k3sb-d018
mp: mp:mp-aaaaautd
oqmd: oqmd:oqmd-5160
paper: paper:10.1016/j.tca.2013.07.009:K3Sb
tdb: tdb:KSb-13Liu.tdb:K3SB_D018

TDB models of K3SB_D018 (1): PHASE and CONSTITUENT statements as written

KSb-13Liu.tdb: K3SB_D018, type code %, sha256 74f0dfc1d973f462…

51: PHASE K3SB_D018 % 2 3 1 !
52: CONST K3SB_D018 : K : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase

K5SB4 (K–Sb)

Id: phase:k-sb:k5sb4; status assigned
Structure: Bi4K5 · mC18 · C2/m (12); type st:bi4k5-mc18; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: K 0.5556, Sb 0.4444
Stability: stable in 1 of 1 calculated diagram(s): 300–777.23 K, x(Sb) 0.44444–0.44444
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:k-sb:k5sb4
mp: mp:mp-aaaabskr
oqmd: oqmd:oqmd-10179
paper: paper:10.1016/j.tca.2013.07.009:K5Sb4
tdb: tdb:KSb-13Liu.tdb:K5SB4

TDB models of K5SB4 (1): PHASE and CONSTITUENT statements as written

KSb-13Liu.tdb: K5SB4, type code %, sha256 74f0dfc1d973f462…

56: PHASE K5SB4 % 2 5 4 !
57: CONST K5SB4 : K : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase

KSB (K–Sb)

Id: phase:k-sb:ksb; status assigned
Structure: LiAs · mP16 · P2_1/c (14); type st:lias-mp16; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: K 0.5000, Sb 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–887.55 K, x(Sb) 0.5–0.5
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:k-sb:ksb
mp: mp:mp-aaaaachc
oqmd: oqmd:oqmd-8106
paper: paper:10.1016/j.tca.2013.07.009:KSb
tdb: tdb:KSb-13Liu.tdb:KSB

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

KSb-13Liu.tdb: KSB, type code %, sha256 74f0dfc1d973f462…

61: PHASE KSB % 2 1 1 !
62: CONST KSB : K : SB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase
doi:10.1063/1.454540 Marie-Louise Saboungi, Julie Ellefson, Gerald K. Johnson, Werner Freyland, Liquid potassium–antimony alloys: Investigation of some thermodynamic properties, The Journal of Chemical Physics 88, 5812-5817 (1988).
cited as the source of values for this phase
doi:10.1515/zna-1982-0612 H. Redslob, G. Steinleitner, W. Freyland, Transition to Semiconducting Characteristics in Liquid Alkalimetal-Antimony-Alloys, Zeitschrift für Naturforschung A 37, 587-593 (1982).
cited as the source of values for this phase

KSB2 (K–Sb)

Id: phase:k-sb:ksb2; status assigned
Structure: KSb2 · mC12 · C2/m (12); type st:ksb2-mc12; 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 (dft_space_group_12_matches_7_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: K 0.3333, Sb 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–671.16 K, x(Sb) 0.66667–0.66667
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:k-sb:ksb2
paper: paper:10.1016/j.tca.2013.07.009:KSb2
tdb: tdb:KSb-13Liu.tdb:KSB2

TDB models of KSB2 (1): PHASE and CONSTITUENT statements as written

KSb-13Liu.tdb: KSB2, type code %, sha256 74f0dfc1d973f462…

66: PHASE KSB2 % 2 1 2 !
67: CONST KSB2 : K : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase

LIQUID (K–Sb)

Id: phase:k-sb:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 336.53–2500 K, x(Sb) 0–1
Literature: 21 values (21 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:k-sb:liquid
paper: paper:10.1016/j.tca.2013.07.009:L
tdb: tdb:KSb-13Liu.tdb:LIQUID

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

KSb-13Liu.tdb: LIQUID, type code %, sha256 74f0dfc1d973f462…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : K K3SB SB : !

Example references (3 of 3; assessments first):

doi:10.1016/j.tca.2013.07.009 Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013).
assessment that models this phase; reports values for this phase
doi:10.1063/1.454540 Marie-Louise Saboungi, Julie Ellefson, Gerald K. Johnson, Werner Freyland, Liquid potassium–antimony alloys: Investigation of some thermodynamic properties, The Journal of Chemical Physics 88, 5812-5817 (1988).
cited as the source of values for this phase
doi:10.1515/zna-1982-0612 H. Redslob, G. Steinleitner, W. Freyland, Transition to Semiconducting Characteristics in Liquid Alkalimetal-Antimony-Alloys, Zeitschrift für Naturforschung A 37, 587-593 (1982).
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}
}