Ba–Ga phases

10 phases (tier A 6, tier B 1, tier C 1, liquid 1, needs_review 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–Ga system page · Markdown · field reference

Phases of the Ba–Ga system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
ORTHORHOMBIC_A11 phase:ba-ga:a11-orthorhombic	alpha-Ga · A11 · oC8 · Cmce (64)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–302.91 K, x(Ga) 1–1	0	1
BA10GA phase:ba-ga:ba10ga		needs_review	stable in 1 of 1 calculated diagram(s): 300–730.01 K, x(Ga) 0.09091–0.09091	1	1
BA5GA6 phase:ba-ga:ba5ga6	Ba5Ga6 · hP24 · P-6c2 (188)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–859.7 K, x(Ga) 0.54545–0.54545	2	1
BA8GA7 phase:ba-ga:ba8ga7	Ba8Ga7 · cP60 · P2_13 (198)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–830.03 K, x(Ga) 0.46667–0.46667	3	1
BAGA2_C32 phase:ba-ga:baga2-c32	AlB2 · C32 · hP3 · P6/mmm (191)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1153.55 K, x(Ga) 0.66667–0.66667	0	1
BAGA4_D13 phase:ba-ga:baga4-d13	Al4Ba · D1_3 · tI10 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1297.22 K, x(Ga) 0.8–0.8	0	1
BCC_A2 phase:ba-ga: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(Ga) 0–1e-05	0	1
FCC_A1 phase:ba-ga: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-ga: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-ga:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 302.91–2500 K, x(Ga) 0–1	0	1

ORTHORHOMBIC_A11 (Ba–Ga)

Id: phase:ba-ga:a11-orthorhombic; status assigned
Structure: alpha-Ga · A11 · oC8 · Cmce (64); type st:a11-alpha-ga-oc8; tier A: standard phase name; confidence high
Stoichiometry: Ga 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–302.91 K, x(Ga) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:ba-ga:a11-orthorhombic
tdb: tdb:BaGa-13Li.tdb:ORTHORHOMBIC_A11

TDB models of ORTHORHOMBIC_A11 (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: ORTHORHOMBIC_A11, type code %, sha256 b2225c3190b4435f…

41: PHASE ORTHORHOMBIC_A11 % 1 1 !
42: CONST ORTHORHOMBIC_A11 : GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

BA10GA (Ba–Ga)

Id: phase:ba-ga:ba10ga; status needs_review
No structure assigned. Why: assessment_declared_compound_differs_from_model_composition; no_on_hull_entry_in_both; no_structure_token
Candidate (literature_printed): VAl10 · cF176 — printed with a label mapped to this phase
Candidate (sgte_mmc2): Al10V · cF176 · Fd-3m (227) — Hallstedt 2025 mmc2 row for BA10GA: Ba19Ga
Candidate (tdb_comment): Al10V · cF176 · Fd-3m — BaGa-13Li.tdb: 'Prototype Al10V (cF176, Fd-3m)'
Stoichiometry: Ba 0.9091, Ga 0.0909
Stability: stable in 1 of 1 calculated diagram(s): 300–730.01 K, x(Ga) 0.09091–0.09091
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-ga:ba10ga
paper: paper:10.1016/j.calphad.2013.09.002:Ba10Ga
tdb: tdb:BaGa-13Li.tdb:BA10GA

TDB models of BA10GA (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: BA10GA, type code %, sha256 b2225c3190b4435f…

46: PHASE BA10GA % 2 10 1 !
47: CONST BA10GA : BA : GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase; reports values for this phase

BA5GA6 (Ba–Ga)

Id: phase:ba-ga:ba5ga6; status assigned
Structure: Ba5Ga6 · hP24 · P-6c2 (188); type st:ba5ga6-hp24; 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 0.4545, Ga 0.5455
Stability: stable in 1 of 1 calculated diagram(s): 300–859.7 K, x(Ga) 0.54545–0.54545
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-ga:ba5ga6
paper: paper:10.1016/j.calphad.2013.09.002:Ba5Ga6
tdb: tdb:BaGa-13Li.tdb:BA5GA6

TDB models of BA5GA6 (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: BA5GA6, type code %, sha256 b2225c3190b4435f…

56: PHASE BA5GA6 % 2 5 6 !
57: CONST BA5GA6 : BA : GA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)90786-2 M.L. Fornasini, M. Pani, Ba5Ga6: a phase with octahedral clusters of gallium, Journal of Alloys and Compounds 205, 179-181 (1994).
cited as the source of values for this phase

BA8GA7 (Ba–Ga)

Id: phase:ba-ga:ba8ga7; status assigned
Structure: Ba8Ga7 · cP60 · P2_13 (198); type st:ba8ga7-cp60; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Ba 0.5333, Ga 0.4667
Stability: stable in 1 of 1 calculated diagram(s): 300–830.03 K, x(Ga) 0.46667–0.46667
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ba-ga:ba8ga7
mp: mp:mp-aaaabtaj
oqmd: oqmd:oqmd-55151
paper: paper:10.1016/j.calphad.2013.09.002:Ba8Ga7
tdb: tdb:BaGa-13Li.tdb:BA8GA7

TDB models of BA8GA7 (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: BA8GA7, type code %, sha256 b2225c3190b4435f…

51: PHASE BA8GA7 % 2 8 7 !
52: CONST BA8GA7 : BA : GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase; reports values for this phase

BAGA2_C32 (Ba–Ga)

Id: phase:ba-ga:baga2-c32; status assigned
Structure: AlB2 · C32 · hP3 · P6/mmm (191); type st:c32-alb2-hp3; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaabux and oqmd-94273, space group 191
Stoichiometry: Ba 0.3333, Ga 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1153.55 K, x(Ga) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ba-ga:baga2-c32
mp: mp:mp-aaaaabux
oqmd: oqmd:oqmd-94273
tdb: tdb:BaGa-13Li.tdb:BAGA2_C32

TDB models of BAGA2_C32 (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: BAGA2_C32, type code %, sha256 b2225c3190b4435f…

61: PHASE BAGA2_C32 % 2 1 2 !
62: CONST BAGA2_C32 : BA : GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

BAGA4_D13 (Ba–Ga)

Id: phase:ba-ga:baga4-d13; status assigned
Structure: Al4Ba · D1_3 · tI10 · I4/mmm (139); type st:d1-3-al4ba-ti10; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaaamx and oqmd-9950, space group 139
Stoichiometry: Ba 0.2000, Ga 0.8000
Stability: stable in 1 of 1 calculated diagram(s): 300–1297.22 K, x(Ga) 0.8–0.8
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ba-ga:baga4-d13
mp: mp:mp-aaaaaamx
oqmd: oqmd:oqmd-9950
tdb: tdb:BaGa-13Li.tdb:BAGA4_D13

TDB models of BAGA4_D13 (1): PHASE and CONSTITUENT statements as written

BaGa-13Li.tdb: BAGA4_D13, type code %, sha256 b2225c3190b4435f…

66: PHASE BAGA4_D13 % 2 1 4 !
67: CONST BAGA4_D13 : BA : GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

BCC_A2 (Ba–Ga)

Id: phase:ba-ga: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(Ga) 0–1e-05
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:ba-ga:bcc-a2
tdb: tdb:BaGa-13Li.tdb:BCC_A2

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

BaGa-13Li.tdb: BCC_A2, type code %B, sha256 b2225c3190b4435f…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : BA% GA : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

FCC_A1 (Ba–Ga)

Id: phase:ba-ga: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-ga:fcc-a1
tdb: tdb:BaGa-13Li.tdb:FCC_A1

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

BaGa-13Li.tdb: FCC_A1, type code %A, sha256 b2225c3190b4435f…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : BA GA : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

HCP_A3 (Ba–Ga)

Id: phase:ba-ga: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-ga:hcp-a3
tdb: tdb:BaGa-13Li.tdb:HCP_A3

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

BaGa-13Li.tdb: HCP_A3, type code %A, sha256 b2225c3190b4435f…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : BA GA : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).
assessment that models this phase

LIQUID (Ba–Ga)

Id: phase:ba-ga:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 302.91–2500 K, x(Ga) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:ba-ga:liquid
tdb: tdb:BaGa-13Li.tdb:LIQUID

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

BaGa-13Li.tdb: LIQUID, type code %, sha256 b2225c3190b4435f…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : BA GA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.09.002 Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (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}
}