Au–Ti phases

8 phases (tier A 6, 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 · Au–Ti system page · Markdown · field reference

Phases of the Au–Ti system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
AU2TI_C11B phase:au-ti:au2ti-c11b	MoSi2 · C11_b · tI6 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1717.77 K, x(Ti) 0.33333–0.33333	9	1
AU4TI_D1A phase:au-ti:au4ti-d1a	MoNi4 · D1_a · tI10 · I4/m (87)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1443.75 K, x(Ti) 0.18235–0.2	6	1
AUTI phase:au-ti:auti		needs_review	stable in 1 of 1 calculated diagram(s): 300–1754.28 K, x(Ti) 0.49038–0.61943	11	1
AUTI3_A15 phase:au-ti:auti3-a15	Cr3Si · A15 · cP8 · Pm-3n (223)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1654.27 K, x(Ti) 0.75–0.75	12	1
BCC_A2 phase:au-ti:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1104.89–2205.98 K, x(Ti) 0.84497–1	6	1
FCC_A1 phase:au-ti:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1394.1 K, x(Ti) 0–0.12621	3	1
HCP_A3 phase:au-ti:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1154.99 K, x(Ti) 0.98233–1	1	1
LIQUID phase:au-ti:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1337.33–2500 K, x(Ti) 0–1	24	1

AU2TI_C11B (Au–Ti)

Id: phase:au-ti:au2ti-c11b; status assigned
Structure: MoSi2 · C11_b · tI6 · I4/mmm (139); type st:c11-b-mosi2-ti6; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacfycp and oqmd-10816, space group 139
Stoichiometry: Au 0.6667, Ti 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1717.77 K, x(Ti) 0.33333–0.33333
Literature: 9 values (9 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:au-ti:au2ti-c11b
mp: mp:mp-aaacfycp
oqmd: oqmd:oqmd-10816
paper: paper:10.1016/s0364-5916(01)00026-8:TiAu2
tdb: tdb:AuTi-01Luo-LB.tdb:AU2TI_C11B

TDB models of AU2TI_C11B (1): PHASE and CONSTITUENT statements as written

AuTi-01Luo-LB.tdb: AU2TI_C11B, type code %, sha256 3cb2928079fa6325…

48: PHASE AU2TI_C11B % 2 2 1 !
49: CONST AU2TI_C11B : AU : TI : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

AU4TI_D1A (Au–Ti)

Id: phase:au-ti:au4ti-d1a; status assigned
Structure: MoNi4 · D1_a · tI10 · I4/m (87); type st:d1-a-moni4-ti10; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1443.75 K, x(Ti) 0.18235–0.2
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-ti:au4ti-d1a
paper: paper:10.1016/s0364-5916(01)00026-8:TiAu4
tdb: tdb:AuTi-01Luo-LB.tdb:AU4TI_D1A

TDB models of AU4TI_D1A (1): PHASE and CONSTITUENT statements as written

AuTi-01Luo-LB.tdb: AU4TI_D1A, type code %, sha256 3cb2928079fa6325…

43: PHASE AU4TI_D1A % 2 4 1 !
44: CONST AU4TI_D1A : AU : AU TI : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

AUTI (Au–Ti)

Id: phase:au-ti:auti; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model; sgte_mmc2_rows_disagree
Candidate (dft_mp): P4/nmm (129) — on-hull MP TiAu at x(TI)=0.5000
Candidate (dft_oqmd): P4/nmm (129) — on-hull OQMD Au1 Ti1 at x(TI)=0.5000
Candidate (literature_printed): AuCd · oP4 — printed with a label mapped to this phase
Candidate (sgte_mmc2): CuTi-gamma · B11 · tP4 · P4/nmm (129) — Hallstedt 2025 mmc2 row for AUTI: AuTi (alpha, low T)
Candidate (sgte_mmc2): AuCd · B19 · oP4 · Pmma (51) — Hallstedt 2025 mmc2 row for AUTI: AuTi (beta, low T)
Candidate (sgte_mmc2): CsCl · B2 · cP2 · Pm-3m (221) — Hallstedt 2025 mmc2 row for AUTI: AuTi (gamma, dominating)
Candidate (tdb_comment): AuCd · oP4 · Pmma, B19 — AuTi-01Luo-LB.tdb: 'Prototype AuCd (oP4, Pmma, B19) beta, low T'
Candidate (tdb_comment): CsCl · cP2 · Pm-3m, B2 — AuTi-01Luo-LB.tdb: 'Prototype CsCl (cP2, Pm-3m, B2) gamma, dominating'
Stability: stable in 1 of 1 calculated diagram(s): 300–1754.28 K, x(Ti) 0.49038–0.61943
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-ti:auti
paper: paper:10.1016/s0364-5916(01)00026-8:(αTi), paper:10.1016/s0364-5916(01)00026-8:TiAu
tdb: tdb:AuTi-01Luo-LB.tdb:AUTI

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

AuTi-01Luo-LB.tdb: AUTI, type code %, sha256 3cb2928079fa6325…

55: PHASE AUTI % 2 1 1 !
56: CONST AUTI : AU TI : TI VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

AUTI3_A15 (Au–Ti)

Id: phase:au-ti:auti3-a15; status assigned
Structure: Cr3Si · A15 · cP8 · Pm-3n (223); type st:a15-cr3si-cp8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaacqs and oqmd-10815, space group 223
Stoichiometry: Au 0.2500, Ti 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1654.27 K, x(Ti) 0.75–0.75
Literature: 12 values (12 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:au-ti:auti3-a15
mp: mp:mp-aaaaacqs
oqmd: oqmd:oqmd-10815
paper: paper:10.1016/s0364-5916(01)00026-8:Ti3Au
tdb: tdb:AuTi-01Luo-LB.tdb:AUTI3_A15

TDB models of AUTI3_A15 (1): PHASE and CONSTITUENT statements as written

AuTi-01Luo-LB.tdb: AUTI3_A15, type code %, sha256 3cb2928079fa6325…

60: PHASE AUTI3_A15 % 2 1 3 !
61: CONST AUTI3_A15 : AU : TI : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

BCC_A2 (Au–Ti)

Id: phase:au-ti: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): 1104.89–2205.98 K, x(Ti) 0.84497–1
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-ti:bcc-a2
paper: paper:10.1016/s0364-5916(01)00026-8:(βTi)
tdb: tdb:AuTi-01Luo-LB.tdb:BCC_A2

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

AuTi-01Luo-LB.tdb: BCC_A2, type code %B, sha256 3cb2928079fa6325…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : AU TI% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

FCC_A1 (Au–Ti)

Id: phase:au-ti: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): 300–1394.1 K, x(Ti) 0–0.12621
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-ti:fcc-a1
paper: paper:10.1016/s0364-5916(01)00026-8:(Au)
tdb: tdb:AuTi-01Luo-LB.tdb:FCC_A1

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

AuTi-01Luo-LB.tdb: FCC_A1, type code %A, sha256 3cb2928079fa6325…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : AU% TI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

HCP_A3 (Au–Ti)

Id: phase:au-ti: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: stable in 1 of 1 calculated diagram(s): 300–1154.99 K, x(Ti) 0.98233–1
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-ti:hcp-a3
paper: paper:10.1016/s0364-5916(01)00026-8:(αTi)
tdb: tdb:AuTi-01Luo-LB.tdb:HCP_A3

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

AuTi-01Luo-LB.tdb: HCP_A3, type code %A, sha256 3cb2928079fa6325…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : AU TI% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
assessment that models this phase; reports values for this phase

LIQUID (Au–Ti)

Id: phase:au-ti:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1337.33–2500 K, x(Ti) 0–1
Literature: 24 values (24 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-ti:liquid
paper: paper:10.1016/s0364-5916(01)00026-8:L
tdb: tdb:AuTi-01Luo-LB.tdb:LIQUID

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

AuTi-01Luo-LB.tdb: LIQUID, type code %, sha256 3cb2928079fa6325…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : AU TI : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(01)00026-8 W. Luo, Z. Jin, H. Liu, T. Wang, Calphad, 25, 19-26(2001).
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}
}