Au–Th phases

10 phases (tier A 5, tier B 1, tier C 2, liquid 1, needs_review 1); 9 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–Th system page · Markdown · field reference

Phases of the Au–Th system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
AU2TH phase:au-th:au2th	Hg2U · hP3 · P6/mmm (191)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–4000 K, x(Th) 0.33333–0.33333	7	1
AU2TH3 phase:au-th:au2th3		needs_review	stable in 1 of 1 calculated diagram(s): 300–1452.75 K, x(Th) 0.6–0.6	4	1
AU4TH3 phase:au-th:au4th3	Pd4Pu3 · hR14 · R-3 (148)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1693.26 K, x(Th) 0.42857–0.42857	7	1
AU51TH14 phase:au-th:au51th14	Ag51Gd14 · hP68 · P6/m (175)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1713.18 K, x(Th) 0.21538–0.21538	7	1
AUTH_B33 phase:au-th:auth-b33	CrB · B33 · oC8 · Cmcm (63)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1552.88 K, x(Th) 0.5–0.5	4	1
AUTH2_C16 phase:au-th:auth2-c16	Al2Cu · C16 · tI12 · I4/mcm (140)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1382.71 K, x(Th) 0.66667–0.66667	4	1
BCC_A2 phase:au-th:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1633.2–3999.78 K, x(Th) 0.99974–1	2	1
FCC_A1 phase:au-th:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1633.53 K, x(Th) 0–1	7	1
HCP_A3 phase:au-th: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:au-th:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1098.51–4000 K, x(Th) 0–1	24	1

AU2TH (Au–Th)

Id: phase:au-th:au2th; status assigned
Structure: Hg2U · hP3 · P6/mmm (191); type st:hg2u-hp3; 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_191_matches_2_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Au 0.6667, Th 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–4000 K, x(Th) 0.33333–0.33333
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-th:au2th
paper: paper:10.1016/j.jnucmat.2013.04.066:Au2Th
tdb: tdb:AuTh-13Wan.tdb:AU2TH

TDB models of AU2TH (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AU2TH, type code %, sha256 ec3e98dfc1afabce…

47: PHASE AU2TH % 2 2 1 !
48: CONST AU2TH : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

AU2TH3 (Au–Th)

Id: phase:au-th:au2th3; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Au2Th3) · c** — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Au2Th3) — Hallstedt 2025 mmc2 row for AU2TH3: Au2Th3
Stoichiometry: Au 0.4000, Th 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–1452.75 K, x(Th) 0.6–0.6
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-th:au2th3
paper: paper:10.1016/j.jnucmat.2013.04.066:Au2Th3
tdb: tdb:AuTh-13Wan.tdb:AU2TH3

TDB models of AU2TH3 (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AU2TH3, type code %, sha256 ec3e98dfc1afabce…

62: PHASE AU2TH3 % 2 2 3 !
63: CONST AU2TH3 : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

AU4TH3 (Au–Th)

Id: phase:au-th:au4th3; status assigned
Structure: Pd4Pu3 · hR14 · R-3 (148); type st:pd4pu3-hr14; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Au 0.5714, Th 0.4286
Stability: stable in 1 of 1 calculated diagram(s): 300–1693.26 K, x(Th) 0.42857–0.42857
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:au-th:au4th3
mp: mp:mp-aaabxgdt
oqmd: oqmd:oqmd-27298
paper: paper:10.1016/j.jnucmat.2013.04.066:Au4Th3
tdb: tdb:AuTh-13Wan.tdb:AU4TH3

TDB models of AU4TH3 (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AU4TH3, type code %, sha256 ec3e98dfc1afabce…

52: PHASE AU4TH3 % 2 4 3 !
53: CONST AU4TH3 : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

AU51TH14 (Au–Th)

Id: phase:au-th:au51th14; status assigned
Structure: Ag51Gd14 · hP68 · P6/m (175); type st:ag51gd14-hp68; 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: Au 0.7846, Th 0.2154
Stability: stable in 1 of 1 calculated diagram(s): 300–1713.18 K, x(Th) 0.21538–0.21538
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-th:au51th14
paper: paper:10.1016/j.jnucmat.2013.04.066:Au51Th14
tdb: tdb:AuTh-13Wan.tdb:AU51TH14

TDB models of AU51TH14 (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AU51TH14, type code %, sha256 ec3e98dfc1afabce…

42: PHASE AU51TH14 % 2 51 14 !
43: CONST AU51TH14 : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

AUTH_B33 (Au–Th)

Id: phase:au-th:auth-b33; status assigned
Structure: CrB · B33 · oC8 · Cmcm (63); type st:b33-crb-oc8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacfyep and oqmd-27297, space group 63
Stoichiometry: Au 0.5000, Th 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1552.88 K, x(Th) 0.5–0.5
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:au-th:auth-b33
mp: mp:mp-aaacfyep
oqmd: oqmd:oqmd-27297
paper: paper:10.1016/j.jnucmat.2013.04.066:AuTh
tdb: tdb:AuTh-13Wan.tdb:AUTH_B33

TDB models of AUTH_B33 (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AUTH_B33, type code %, sha256 ec3e98dfc1afabce…

57: PHASE AUTH_B33 % 2 1 1 !
58: CONST AUTH_B33 : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

AUTH2_C16 (Au–Th)

Id: phase:au-th:auth2-c16; status assigned
Structure: Al2Cu · C16 · tI12 · I4/mcm (140); type st:c16-al2cu-ti12; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaackr and oqmd-10812, space group 140
Stoichiometry: Au 0.3333, Th 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1382.71 K, x(Th) 0.66667–0.66667
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:au-th:auth2-c16
mp: mp:mp-aaaaackr
oqmd: oqmd:oqmd-10812
paper: paper:10.1016/j.jnucmat.2013.04.066:AuTh2
tdb: tdb:AuTh-13Wan.tdb:AUTH2_C16

TDB models of AUTH2_C16 (1): PHASE and CONSTITUENT statements as written

AuTh-13Wan.tdb: AUTH2_C16, type code %, sha256 ec3e98dfc1afabce…

67: PHASE AUTH2_C16 % 2 1 2 !
68: CONST AUTH2_C16 : AU : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

BCC_A2 (Au–Th)

Id: phase:au-th: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): 1633.2–3999.78 K, x(Th) 0.99974–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-th:bcc-a2
paper: paper:10.1016/j.jnucmat.2013.04.066:(βTh)
tdb: tdb:AuTh-13Wan.tdb:BCC_A2

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

AuTh-13Wan.tdb: BCC_A2, type code %B, sha256 ec3e98dfc1afabce…

32: PHASE BCC_A2 %B 2 1 3 !
33: CONST BCC_A2 : AU TH% : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

FCC_A1 (Au–Th)

Id: phase:au-th: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): 300–1633.53 K, x(Th) 0–1
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-th:fcc-a1
paper: paper:10.1016/j.jnucmat.2013.04.066:(Au), paper:10.1016/j.jnucmat.2013.04.066:(αTh)
tdb: tdb:AuTh-13Wan.tdb:FCC_A1

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

AuTh-13Wan.tdb: FCC_A1, type code %A, sha256 ec3e98dfc1afabce…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : AU% TH% : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
cited as the source of values for this phase

HCP_A3 (Au–Th)

Id: phase:au-th:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stoichiometry: Au 1.0000
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:au-th:hcp-a3
tdb: tdb:AuTh-13Wan.tdb:HCP_A3

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

AuTh-13Wan.tdb: HCP_A3, type code %A, sha256 ec3e98dfc1afabce…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase

LIQUID (Au–Th)

Id: phase:au-th:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1098.51–4000 K, x(Th) 0–1
Literature: 24 values (24 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:au-th:liquid
paper: paper:10.1016/j.jnucmat.2013.04.066:L
tdb: tdb:AuTh-13Wan.tdb:LIQUID

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

AuTh-13Wan.tdb: LIQUID, type code %, sha256 ec3e98dfc1afabce…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : AU TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jnucmat.2013.04.066 C.P. Wang, G.C. Wang, Y. Lu, D. Wang, X.J. Liu, Thermodynamic assessments of the Au–Th and As–U systems, Journal of Nuclear Materials 440, 214-219 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(86)90497-2 A. Palenzona, S. Cirafici, The ThAu phase diagram, Journal of the Less Common Metals 124, 245-249 (1986).
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}
}