Th–Zn phases

8 phases (tier A 5, tier B 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 · Th–Zn system page · Markdown · field reference

Phases of the Th–Zn system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:th-zn:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1631.66–2051.99 K, x(Zn) 0–0.00228	2	1
FCC_A1 phase:th-zn:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1633.19 K, x(Zn) 0–0.00197	4	1
HCP_A3 phase:th-zn:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–3998.92 K, x(Zn) 1–1	2	1
LIQUID phase:th-zn:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 692.67–4000 K, x(Zn) 0–1	20	1
TH2ZN_C16 phase:th-zn:th2zn-c16	Al2Cu · C16 · tI12 · I4/mcm (140)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1323.21 K, x(Zn) 0.33333–0.33333	6	1
TH2ZN17 phase:th-zn:th2zn17	Th2Zn17 · hR19 · R-3m (166)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1286.03 K, x(Zn) 0.89474–0.89474	8	1
THZN2 phase:th-zn:thzn2		needs_review	stable in 1 of 1 calculated diagram(s): 300–1375.5 K, x(Zn) 0.66667–0.66667	10	1
THZN4_D13 phase:th-zn:thzn4-d13	Al4Ba · D1_3 · tI10 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1372.11 K, x(Zn) 0.8–0.8	6	1

BCC_A2 (Th–Zn)

Id: phase:th-zn: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): 1631.66–2051.99 K, x(Zn) 0–0.00228
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:th-zn:bcc-a2
paper: paper:10.1016/j.jnucmat.2009.10.068:βTh
tdb: tdb:ThZn-10Li.tdb:BCC_A2

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

ThZn-10Li.tdb: BCC_A2, type code %, sha256 f6e94ddb75cfa754…

37: PHASE BCC_A2 % 2 1 3 !
38: CONST BCC_A2 : TH% ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

FCC_A1 (Th–Zn)

Id: phase:th-zn: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): 300–1633.19 K, x(Zn) 0–0.00197
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:th-zn:fcc-a1
paper: paper:10.1016/j.jnucmat.2009.10.068:αTh
tdb: tdb:ThZn-10Li.tdb:FCC_A1

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

ThZn-10Li.tdb: FCC_A1, type code %, sha256 f6e94ddb75cfa754…

32: PHASE FCC_A1 % 2 1 1 !
33: CONST FCC_A1 : TH% ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

HCP_A3 (Th–Zn)

Id: phase:th-zn: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: Zn 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–3998.92 K, x(Zn) 1–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:th-zn:hcp-a3
paper: paper:10.1016/j.jnucmat.2009.10.068:(Zn)
tdb: tdb:ThZn-10Li.tdb:HCP_A3

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

ThZn-10Li.tdb: HCP_A3, type code %, sha256 f6e94ddb75cfa754…

42: PHASE HCP_A3 % 2 1 0.5 !
43: CONST HCP_A3 : ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

LIQUID (Th–Zn)

Id: phase:th-zn:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 692.67–4000 K, x(Zn) 0–1
Literature: 20 values (20 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:th-zn:liquid
paper: paper:10.1016/j.jnucmat.2009.10.068:L
tdb: tdb:ThZn-10Li.tdb:LIQUID

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

ThZn-10Li.tdb: LIQUID, type code %, sha256 f6e94ddb75cfa754…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : TH ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

TH2ZN_C16 (Th–Zn)

Id: phase:th-zn:th2zn-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-aaaaadnv and oqmd-31107, space group 140
Stoichiometry: Th 0.6667, Zn 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1323.21 K, x(Zn) 0.33333–0.33333
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:th-zn:th2zn-c16
mp: mp:mp-aaaaadnv
oqmd: oqmd:oqmd-31107
paper: paper:10.1016/j.jnucmat.2009.10.068:Th2Zn
tdb: tdb:ThZn-10Li.tdb:TH2ZN_C16

TDB models of TH2ZN_C16 (1): PHASE and CONSTITUENT statements as written

ThZn-10Li.tdb: TH2ZN_C16, type code %, sha256 f6e94ddb75cfa754…

47: PHASE TH2ZN_C16 % 2 2 1 !
48: CONST TH2ZN_C16 : TH : ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

TH2ZN17 (Th–Zn)

Id: phase:th-zn:th2zn17; status assigned
Structure: Th2Zn17 · hR19 · R-3m (166); type st:th2zn17-hr19; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Th 0.1053, Zn 0.8947
Stability: stable in 1 of 1 calculated diagram(s): 300–1286.03 K, x(Zn) 0.89474–0.89474
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:th-zn:th2zn17
mp: mp:mp-aaabetxv
oqmd: oqmd:oqmd-3836
paper: paper:10.1016/j.jnucmat.2009.10.068:Th2Zn17
tdb: tdb:ThZn-10Li.tdb:TH2ZN17

TDB models of TH2ZN17 (1): PHASE and CONSTITUENT statements as written

ThZn-10Li.tdb: TH2ZN17, type code %, sha256 f6e94ddb75cfa754…

62: PHASE TH2ZN17 % 2 2 17 !
63: CONST TH2ZN17 : TH : ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

THZN2 (Th–Zn)

Id: phase:th-zn:thzn2; status needs_review
No structure assigned. Why: mp_oqmd_space_groups_differ; no_structure_token; sgte_mmc2_row_incomplete
Candidate (dft_mp): P6/mmm (191) — on-hull MP ThZn2 at x(ZN)=0.6667
Candidate (dft_oqmd): P63/mmc (194) — on-hull OQMD Th1 Zn2 at x(ZN)=0.6667
Candidate (literature_printed): (ThZn2) · hP* — printed with a label mapped to this phase
Candidate (sgte_mmc2): (ThZn2) — Hallstedt 2025 mmc2 row for THZN2: ThZn2
Stoichiometry: Th 0.3333, Zn 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1375.5 K, x(Zn) 0.66667–0.66667
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:th-zn:thzn2
paper: paper:10.1016/j.jnucmat.2009.10.068:ThZn2
tdb: tdb:ThZn-10Li.tdb:THZN2

TDB models of THZN2 (1): PHASE and CONSTITUENT statements as written

ThZn-10Li.tdb: THZN2, type code %, sha256 f6e94ddb75cfa754…

52: PHASE THZN2 % 2 1 2 !
53: CONST THZN2 : TH : ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
assessment that models this phase; reports values for this phase

THZN4_D13 (Th–Zn)

Id: phase:th-zn:thzn4-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-aaaaaauq and oqmd-18164, space group 139
Stoichiometry: Th 0.2000, Zn 0.8000
Stability: stable in 1 of 1 calculated diagram(s): 300–1372.11 K, x(Zn) 0.8–0.8
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:th-zn:thzn4-d13
mp: mp:mp-aaaaaauq
oqmd: oqmd:oqmd-18164
paper: paper:10.1016/j.jnucmat.2009.10.068:ThZn4
tdb: tdb:ThZn-10Li.tdb:THZN4_D13

TDB models of THZN4_D13 (1): PHASE and CONSTITUENT statements as written

ThZn-10Li.tdb: THZN4_D13, type code %, sha256 f6e94ddb75cfa754…

57: PHASE THZN4_D13 % 2 1 4 !
58: CONST THZN4_D13 : TH : ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jnucmat.2009.10.068 Z.S. Li, X.J. Liu, M.Z. Wen, C.P. Wang, A.T. Tang, F.S. Pan, Thermodynamic assessments of the Al–Th and Th–Zn systems, Journal of Nuclear Materials 396, 170-175 (2010).
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}
}