Ba–Bi phases

10 phases (tier A 6, tier C 3, liquid 1); 8 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 · Ba–Bi system page · Markdown · field reference

Phases of the Ba–Bi system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:ba-bi: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(Bi) 1–1	3	1
BA11BI10 phase:ba-bi:ba11bi10	Ge10Ho11 · tI84 · I4/mmm (139)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1017.89 K, x(Bi) 0.47619–0.47619	11	1
BA2BI phase:ba-bi:ba2bi	La2Sb · tI12 · I4/mmm (139)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–800 K, x(Bi) 0.33333–0.33333	9	1
BA4BI3_D73 phase:ba-bi:ba4bi3-d73	Th3P4 · D7_3 · cI28 · I-43d (220)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1077.97 K, x(Bi) 0.42857–0.42857	6	1
BA5BI3_D88 phase:ba-bi:ba5bi3-d88	Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–997.97 K, x(Bi) 0.375–0.375	5	1
BABI3 phase:ba-bi:babi3	Pb3Sr · tP4 · P4/mmm (123)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–910 K, x(Bi) 0.75–0.75	14	1
BCC_A2 phase:ba-bi:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1000 K, x(Bi) 0–0	2	1
FCC_A1 phase:ba-bi: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:ba-bi: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:ba-bi:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 535.97–2500 K, x(Bi) 0–1	11	1

RHOMBOHEDRAL_A7 (Ba–Bi)

Id: phase:ba-bi: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
Stability: stable in 1 of 1 calculated diagram(s): 300–544.55 K, x(Bi) 1–1
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ba-bi:a7-rhombohedral, corpus:phase:ba-bi:rhombohedral-a7
paper: paper:10.1016/j.jallcom.2018.08.324:Rhom_A7(Bi)
tdb: tdb:BaBi-19Liu.tdb:RHOMBOHEDRAL_A7

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

BaBi-19Liu.tdb: RHOMBOHEDRAL_A7, type code %, sha256 3c64df6c93728519…

48: PHASE RHOMBOHEDRAL_A7 % 1 1 !
49: CONST RHOMBOHEDRAL_A7 : BA BI% : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.electacta.2016.12.141 Timothy Lichtenstein, Nathan D. Smith, Jarrod Gesualdi, Kuldeep Kumar, Hojong Kim, Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements, Electrochimica Acta 228, 628-635 (2017).
cited as the source of values for this phase

BA11BI10 (Ba–Bi)

Id: phase:ba-bi:ba11bi10; status assigned
Structure: Ge10Ho11 · tI84 · I4/mmm (139); type st:ge10ho11-ti84; 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_oqmd, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Ba 0.5238, Bi 0.4762
Stability: stable in 1 of 1 calculated diagram(s): 300–1017.89 K, x(Bi) 0.47619–0.47619
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:ba11bi10
paper: paper:10.1016/j.jallcom.2018.08.324:Ba11Bi10
tdb: tdb:BaBi-19Liu.tdb:BA11BI10

TDB models of BA11BI10 (1): PHASE and CONSTITUENT statements as written

BaBi-19Liu.tdb: BA11BI10, type code %, sha256 3c64df6c93728519…

68: PHASE BA11BI10 % 2 11 10 !
69: CONST BA11BI10 : BA : BI : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1006/jssc.2001.9470 Gaëlle Derrien, Monique Tillard-Charbonnel, Alain Manteghetti, Laure Monconduit, Claude Belin, Synthesis and Crystal Structure of M11X10 Compounds, M=Sr, Ba and X=Bi, Sb. Electronic Requirements and Chemical Bonding, Journal of Solid State Chemistry 164, 169-175 (2002).
cited as the source of values for this phase
doi:10.1016/j.electacta.2016.12.141 Timothy Lichtenstein, Nathan D. Smith, Jarrod Gesualdi, Kuldeep Kumar, Hojong Kim, Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements, Electrochimica Acta 228, 628-635 (2017).
cited as the source of values for this phase

BA2BI (Ba–Bi)

Id: phase:ba-bi:ba2bi; status assigned
Structure: La2Sb · tI12 · I4/mmm (139); type st:la2sb-ti12; 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: Ba 0.6667, Bi 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–800 K, x(Bi) 0.33333–0.33333
Literature: 9 values (9 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:ba2bi
paper: paper:10.1016/j.jallcom.2018.08.324:Ba2Bi
tdb: tdb:BaBi-19Liu.tdb:BA2BI

TDB models of BA2BI (1): PHASE and CONSTITUENT statements as written

BaBi-19Liu.tdb: BA2BI, type code %, sha256 3c64df6c93728519…

53: PHASE BA2BI % 2 2 1 !
54: CONST BA2BI : BA : BI : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1107/s0567740874006261 M. Martinez-Ripoll, A. Haase, G. Brauer, The crystal structure of Ba2Bi, Acta Crystallogr B Struct Sci 30, 2003-2004 (1974).
cited as the source of values for this phase
doi:10.1002/ange.19610730505 G. Brauer, Otto Müller, Intermetallische Verbindungen der höheren Erdalkalimetalle mit Antimon und Wismut, Angewandte Chemie 73, 169-169 (1961).
cited as the source of values for this phase

BA4BI3_D73 (Ba–Bi)

Id: phase:ba-bi:ba4bi3-d73; status assigned
Structure: Th3P4 · D7_3 · cI28 · I-43d (220); type st:d7-3-th3p4-ci28; tier A: standard phase name; confidence high
Stoichiometry: Ba 0.5714, Bi 0.4286
Stability: stable in 1 of 1 calculated diagram(s): 300–1077.97 K, x(Bi) 0.42857–0.42857
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:ba4bi3-d73
paper: paper:10.1016/j.jallcom.2018.08.324:Ba4Bi3
tdb: tdb:BaBi-19Liu.tdb:BA4BI3_D73

TDB models of BA4BI3_D73 (1): PHASE and CONSTITUENT statements as written

BaBi-19Liu.tdb: BA4BI3_D73, type code %, sha256 3c64df6c93728519…

63: PHASE BA4BI3_D73 % 2 4 3 !
64: CONST BA4BI3_D73 : BA : BI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.electacta.2016.12.141 Timothy Lichtenstein, Nathan D. Smith, Jarrod Gesualdi, Kuldeep Kumar, Hojong Kim, Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements, Electrochimica Acta 228, 628-635 (2017).
cited as the source of values for this phase

BA5BI3_D88 (Ba–Bi)

Id: phase:ba-bi:ba5bi3-d88; status assigned
Structure: Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193); type st:d8-8-mn5si3-hp16; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaabrvh and oqmd-7613, space group 193
Stoichiometry: Ba 0.6250, Bi 0.3750
Stability: stable in 1 of 1 calculated diagram(s): 300–997.97 K, x(Bi) 0.375–0.375
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ba-bi:ba5bi3-d88
mp: mp:mp-aaaabrvh
oqmd: oqmd:oqmd-7613
paper: paper:10.1016/j.jallcom.2018.08.324:Ba5Bi3
tdb: tdb:BaBi-19Liu.tdb:BA5BI3_D88

TDB models of BA5BI3_D88 (1): PHASE and CONSTITUENT statements as written

BaBi-19Liu.tdb: BA5BI3_D88, type code %, sha256 3c64df6c93728519…

58: PHASE BA5BI3_D88 % 2 5 3 !
59: CONST BA5BI3_D88 : BA : BI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1515/znb-1975-1-218 Brigitte Eisenmann, Klaus Deller, Zur Kenntnis der Erdalkaliantimonide und -wismutide Sr 2 Bi, Ba 2 Sb, Sr 5 Bi 3 , Ba 5 Sb 3 und Ba 5 Bi 3 / On the Earth-Alkali-Antimonides and Bismutides Sr 2 Bi, Ba 2 Sb, Sr 5 Bi 3 , Ba 5 Sb 3 and Ba 5 Bi 3, Zeitschrift für Naturforschung B 30, 66-72 (1975).
cited as the source of values for this phase

BABI3 (Ba–Bi)

Id: phase:ba-bi:babi3; status assigned
Structure: Pb3Sr · tP4 · P4/mmm (123); type st:pb3sr-tp4; 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: Ba 0.2500, Bi 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–910 K, x(Bi) 0.75–0.75
Literature: 14 values (14 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:babi3
paper: paper:10.1016/j.jallcom.2018.08.324:BaBi3
tdb: tdb:BaBi-19Liu.tdb:BABI3

TDB models of BABI3 (1): PHASE and CONSTITUENT statements as written

BaBi-19Liu.tdb: BABI3, type code %, sha256 3c64df6c93728519…

73: PHASE BABI3 % 2 1 3 !
74: CONST BABI3 : BA : BI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.electacta.2016.12.141 Timothy Lichtenstein, Nathan D. Smith, Jarrod Gesualdi, Kuldeep Kumar, Hojong Kim, Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements, Electrochimica Acta 228, 628-635 (2017).
cited as the source of values for this phase

BCC_A2 (Ba–Bi)

Id: phase:ba-bi: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): 300–1000 K, x(Bi) 0–0
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:bcc-a2
paper: paper:10.1016/j.jallcom.2018.08.324:Bcc
tdb: tdb:BaBi-19Liu.tdb:BCC_A2

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

BaBi-19Liu.tdb: BCC_A2, type code %B, sha256 3c64df6c93728519…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : BA% BI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase

FCC_A1 (Ba–Bi)

Id: phase:ba-bi: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:ba-bi:fcc-a1
tdb: tdb:BaBi-19Liu.tdb:FCC_A1

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

BaBi-19Liu.tdb: FCC_A1, type code %A, sha256 3c64df6c93728519…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : BA BI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase

HCP_A3 (Ba–Bi)

Id: phase:ba-bi: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:ba-bi:hcp-a3
tdb: tdb:BaBi-19Liu.tdb:HCP_A3

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

BaBi-19Liu.tdb: HCP_A3, type code %A, sha256 3c64df6c93728519…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : BA BI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase

LIQUID (Ba–Bi)

Id: phase:ba-bi:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 535.97–2500 K, x(Bi) 0–1
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-bi:liquid
paper: paper:10.1016/j.jallcom.2018.08.324:L
tdb: tdb:BaBi-19Liu.tdb:LIQUID

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

BaBi-19Liu.tdb: LIQUID, type code %, sha256 3c64df6c93728519…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : BA BA4BI3 BABI3 BI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2018.08.324 Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.electacta.2016.12.141 Timothy Lichtenstein, Nathan D. Smith, Jarrod Gesualdi, Kuldeep Kumar, Hojong Kim, Thermodynamic properties of Barium-Bismuth alloys determined by emf measurements, Electrochimica Acta 228, 628-635 (2017).
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}
}