Fe–Ga phases

9 phases (tier A 4, tier B 1, tier C 1, liquid 1, needs_review 2); 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 · Fe–Ga system page · Markdown · field reference

Phases of the Fe–Ga system (9)
Phase	Structure	Basis	Stability (calculated)	TDB models
ORTHORHOMBIC_A11 phase:fe-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	1
BCC_A2 phase:fe-ga:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1810.95 K, x(Ga) 0–0.53184	1
FCC_A1 phase:fe-ga:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1167.81–1679.81 K, x(Ga) 0–0.02726	1
FE3GA phase:fe-ga:fe3ga		needs_review	stable in 1 of 1 calculated diagram(s): 300–957.53 K, x(Ga) 0.25–0.25	1
FE3GA4 phase:fe-ga:fe3ga4	Fe3Ga4 · mC42 · C2/m (12)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1207.82 K, x(Ga) 0.57143–0.57143	1
FE6GA5 phase:fe-ga:fe6ga5		needs_review	stable in 1 of 1 calculated diagram(s): 300–1064.21 K, x(Ga) 0.45455–0.45455	1
FEGA3 phase:fe-ga:fega3	In3Ir · tP16 · P4_2/mnm (136)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1092.89 K, x(Ga) 0.75–0.75	1
HCP_A3 phase:fe-ga:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
LIQUID phase:fe-ga:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 302.91–2500 K, x(Ga) 0–1	1

ORTHORHOMBIC_A11 (Fe–Ga)

Id: phase:fe-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:fe-ga:a11-orthorhombic
tdb: tdb:FeGa-04Tur.tdb:ORTHORHOMBIC_A11

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

FeGa-04Tur.tdb: ORTHORHOMBIC_A11, type code %, sha256 a83660c514336416…

43: PHASE ORTHORHOMBIC_A11 % 1 1 !
44: CONST ORTHORHOMBIC_A11 : GA : !

BCC_A2 (Fe–Ga)

Id: phase:fe-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): 300–1810.95 K, x(Ga) 0–0.53184
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:fe-ga:bcc-a2
tdb: tdb:FeGa-04Tur.tdb:BCC_A2

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

FeGa-04Tur.tdb: BCC_A2, type code %B, sha256 a83660c514336416…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : FE% GA : VA : !

FCC_A1 (Fe–Ga)

Id: phase:fe-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: stable in 1 of 1 calculated diagram(s): 1167.81–1679.81 K, x(Ga) 0–0.02726
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:fe-ga:fcc-a1
tdb: tdb:FeGa-04Tur.tdb:FCC_A1

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

FeGa-04Tur.tdb: FCC_A1, type code %A, sha256 a83660c514336416…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : FE% GA : VA : !

FE3GA (Fe–Ga)

Id: phase:fe-ga:fe3ga; status needs_review
No structure assigned. Why: no_structure_token; sgte_mmc2_row_disagrees_with_dft; sgte_mmc2_rows_disagree
Candidate (dft_mp): Pm-3m (221) — on-hull MP GaFe3 at x(GA)=0.2500
Candidate (dft_oqmd): Pm-3m (221) — on-hull OQMD Fe3 Ga1 at x(GA)=0.2500
Candidate (sgte_mmc2): Ni3Sn · D0_19 · hP8 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for FE3GA: Fe3Ga (high T)
Candidate (sgte_mmc2): BiF3 · D0_3 · cF16 · Fm-3m (225) — Hallstedt 2025 mmc2 row for FE3GA: Fe3Ga (high T, Fe-rich)
Candidate (sgte_mmc2): AuCu3 · L1_2 · cP4 · Pm-3m (221) — Hallstedt 2025 mmc2 row for FE3GA: Fe3Ga (low T)
Candidate (tdb_comment): AuCu3 · cP4 · Pm-3m — FeGa-04Tur.tdb: 'Prototype AuCu3 (cP4, Pm-3m), L1_2, low T'
Candidate (tdb_comment): BiF3 · cF16 · Fm-3m — FeGa-04Tur.tdb: 'Prototype BiF3 (cF16, Fm-3m), D0_3, high T Fe-rich'
Candidate (tdb_comment): CdMg3 · hP8 · P6_3/mmc — FeGa-04Tur.tdb: 'Prototype CdMg3 (hP8, P6_3/mmc), D0_19, high T'
Stoichiometry: Fe 0.7500, Ga 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–957.53 K, x(Ga) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:fe-ga:fe3ga
tdb: tdb:FeGa-04Tur.tdb:FE3GA

TDB models of FE3GA (1): PHASE and CONSTITUENT statements as written

FeGa-04Tur.tdb: FE3GA, type code %, sha256 a83660c514336416…

50: PHASE FE3GA % 2 3 1 !
51: CONST FE3GA : FE : GA : !

FE3GA4 (Fe–Ga)

Id: phase:fe-ga:fe3ga4; status assigned
Structure: Fe3Ga4 · mC42 · C2/m (12); type st:fe3ga4-mc42; 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: Fe 0.4286, Ga 0.5714
Stability: stable in 1 of 1 calculated diagram(s): 300–1207.82 K, x(Ga) 0.57143–0.57143
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:fe-ga:fe3ga4
tdb: tdb:FeGa-04Tur.tdb:FE3GA4

TDB models of FE3GA4 (1): PHASE and CONSTITUENT statements as written

FeGa-04Tur.tdb: FE3GA4, type code %, sha256 a83660c514336416…

61: PHASE FE3GA4 % 2 3 4 !
62: CONST FE3GA4 : FE : GA : !

FE6GA5 (Fe–Ga)

Id: phase:fe-ga:fe6ga5; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_rows_disagree
Candidate (sgte_mmc2): Fe6Ga5 · mC44 · C2/m (12) — Hallstedt 2025 mmc2 row for FE6GA5: Fe6Ga5 (low T)
Candidate (sgte_mmc2): GaMn · hR26 · R-3m (166) — Hallstedt 2025 mmc2 row for FE6GA5: Fe6Ga5 (high T)
Candidate (tdb_comment): Fe6Ga5 · mC44 · C2/m — FeGa-04Tur.tdb: 'Prototype Fe6Ga5 (mC44, C2/m), low T'
Candidate (tdb_comment): GaMn · hR26 · R-3m — FeGa-04Tur.tdb: 'Prototype GaMn (hR26, R-3m), high T'
Stoichiometry: Fe 0.5455, Ga 0.4545
Stability: stable in 1 of 1 calculated diagram(s): 300–1064.21 K, x(Ga) 0.45455–0.45455
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:fe-ga:fe6ga5
tdb: tdb:FeGa-04Tur.tdb:FE6GA5

TDB models of FE6GA5 (1): PHASE and CONSTITUENT statements as written

FeGa-04Tur.tdb: FE6GA5, type code %, sha256 a83660c514336416…

56: PHASE FE6GA5 % 2 6 5 !
57: CONST FE6GA5 : FE : GA : !

FEGA3 (Fe–Ga)

Id: phase:fe-ga:fega3; status assigned
Structure: In3Ir · tP16 · P4_2/mnm (136); type st:in3ir-tp16; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Fe 0.2500, Ga 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1092.89 K, x(Ga) 0.75–0.75
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-ga:fega3
mp: mp:mp-aaabkfjs
oqmd: oqmd:oqmd-30160
tdb: tdb:FeGa-04Tur.tdb:FEGA3

TDB models of FEGA3 (1): PHASE and CONSTITUENT statements as written

FeGa-04Tur.tdb: FEGA3, type code %, sha256 a83660c514336416…

66: PHASE FEGA3 % 2 1 3 !
67: CONST FEGA3 : FE : GA : !

HCP_A3 (Fe–Ga)

Id: phase:fe-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:fe-ga:hcp-a3
tdb: tdb:FeGa-04Tur.tdb:HCP_A3

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

FeGa-04Tur.tdb: HCP_A3, type code %A, sha256 a83660c514336416…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : FE GA : VA : !

LIQUID (Fe–Ga)

Id: phase:fe-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:fe-ga:liquid
tdb: tdb:FeGa-04Tur.tdb:LIQUID

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

FeGa-04Tur.tdb: LIQUID, type code %, sha256 a83660c514336416…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : FE GA : !

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}
}