Pu–Zr phases

9 phases (tier A 4, tier C 1, liquid 1, needs_review 3); 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 · Pu–Zr system page · Markdown · field reference

Phases of the Pu–Zr system (9)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
TETRAGONAL_A6 phase:pu-zr:a6-tetragonal	In · A6 · tI2 · I4/mmm (139)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 740–750 K, x(Zr) 0–0	0	2
BCC_A2 phase:pu-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 754.9–3999.25 K, x(Zr) 0–1	0	2
FCC_A1 phase:pu-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 506.77–1179.2 K, x(Zr) 0–0.65231	2	2
HCP_A3 phase:pu-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2124 K, x(Zr) 0.85656–1	3	2
LIQUID phase:pu-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 910–4000 K, x(Zr) 0–1	0	2
ALPHA_PU phase:pu-zr:pu-alpha		needs_review	stable in 2 of 2 calculated diagram(s): 300–397.62 K, x(Zr) 0–0.00094	0	2
BETA_PU phase:pu-zr:pu-beta		needs_review	stable in 2 of 2 calculated diagram(s): 397.42–514.61 K, x(Zr) 0–0.01408	8	2
GAMMA_PU phase:pu-zr:pu-gamma		needs_review	stable in 2 of 2 calculated diagram(s): 484.91–599.35 K, x(Zr) 0–0.01746	8	2
PU4ZR phase:pu-zr:pu4zr	Pu4Zr · tP80 · P4/ncc (130)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–650.42 K, x(Zr) 0.12719–0.2	0	2

TETRAGONAL_A6 (Pu–Zr)

Id: phase:pu-zr:a6-tetragonal; status assigned
Structure: In · A6 · tI2 · I4/mmm (139); type st:a6-in-ti2; tier A: standard phase name; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 740–750 K, x(Zr) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pu-zr:a6-tetragonal
tdb: tdb:PuZr-10Kur.tdb:TETRAGONAL_A6, tdb:PuZr-99Kur.tdb:TETRAGONAL_A6

TDB models of TETRAGONAL_A6 (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: TETRAGONAL_A6, type code %, sha256 b56cc08b0fcadc13…

43: PHASE TETRAGONAL_A6 % 1 1 !
44: CONST TETRAGONAL_A6 : PU% ZR : !

PuZr-99Kur.tdb: TETRAGONAL_A6, type code %, sha256 c511e212529d822f…

44: PHASE TETRAGONAL_A6 % 1 1 !
45: CONST TETRAGONAL_A6 : PU% ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase

BCC_A2 (Pu–Zr)

Id: phase:pu-zr: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 2 of 2 calculated diagram(s): 754.9–3999.25 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pu-zr:bcc-a2
tdb: tdb:PuZr-10Kur.tdb:BCC_A2, tdb:PuZr-99Kur.tdb:BCC_A2

TDB models of BCC_A2 (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: BCC_A2, type code %B, sha256 b56cc08b0fcadc13…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : PU% ZR% : VA : !

PuZr-99Kur.tdb: BCC_A2, type code %B, sha256 c511e212529d822f…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : PU% ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase

FCC_A1 (Pu–Zr)

Id: phase:pu-zr: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 2 of 2 calculated diagram(s): 506.77–1179.2 K, x(Zr) 0–0.65231
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:pu-zr:fcc-a1
paper: paper:10.1016/s0364-5916(00)00004-3:δ-Pu
tdb: tdb:PuZr-10Kur.tdb:FCC_A1, tdb:PuZr-99Kur.tdb:FCC_A1

TDB models of FCC_A1 (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: FCC_A1, type code %A, sha256 b56cc08b0fcadc13…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : PU% ZR : VA : !

PuZr-99Kur.tdb: FCC_A1, type code %A, sha256 c511e212529d822f…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : PU% ZR : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase; reports values for this phase

HCP_A3 (Pu–Zr)

Id: phase:pu-zr: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 2 of 2 calculated diagram(s): 300–2124 K, x(Zr) 0.85656–1
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:pu-zr:hcp-a3
paper: paper:10.1016/s0364-5916(00)00004-3:α-Zr
tdb: tdb:PuZr-10Kur.tdb:HCP_A3, tdb:PuZr-99Kur.tdb:HCP_A3

TDB models of HCP_A3 (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: HCP_A3, type code %A, sha256 b56cc08b0fcadc13…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : PU ZR% : VA : !

PuZr-99Kur.tdb: HCP_A3, type code %A, sha256 c511e212529d822f…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : PU ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase; reports values for this phase

LIQUID (Pu–Zr)

Id: phase:pu-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 910–4000 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pu-zr:liquid
tdb: tdb:PuZr-10Kur.tdb:LIQUID, tdb:PuZr-99Kur.tdb:LIQUID

TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: LIQUID, type code %, sha256 b56cc08b0fcadc13…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : PU ZR : !

PuZr-99Kur.tdb: LIQUID, type code %, sha256 c511e212529d822f…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : PU ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase

ALPHA_PU (Pu–Zr)

Id: phase:pu-zr:pu-alpha; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model
Candidate (sgte_mmc2): alpha-Pu · mP16 · P2_1/m (11) — Hallstedt 2025 mmc2 row for ALPHA_PU: Pu (alpha)
Candidate (tdb_comment): alpha-Pu · mP16 · P2_1/m — PuZr-10Kur.tdb: 'Prototype alpha-Pu (mP16, P2_1/m)'
Candidate (tdb_comment): alpha-Pu · mP16 · P2_1/m — PuZr-99Kur.tdb: 'Prototype alpha-Pu (mP16, P2_1/m)'
Stability: stable in 2 of 2 calculated diagram(s): 300–397.62 K, x(Zr) 0–0.00094
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pu-zr:pu-alpha
tdb: tdb:PuZr-10Kur.tdb:ALPHA_PU, tdb:PuZr-99Kur.tdb:ALPHA_PU

TDB models of ALPHA_PU (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: ALPHA_PU, type code %, sha256 b56cc08b0fcadc13…

48: PHASE ALPHA_PU % 1 1 !
49: CONST ALPHA_PU : PU% ZR : !

PuZr-99Kur.tdb: ALPHA_PU, type code %, sha256 c511e212529d822f…

49: PHASE ALPHA_PU % 1 1 !
50: CONST ALPHA_PU : PU% ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase

BETA_PU (Pu–Zr)

Id: phase:pu-zr:pu-beta; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model
Candidate (literature_printed): beta-Pu · mC34 — printed with a label mapped to this phase
Candidate (sgte_mmc2): beta-Pu · mC34 · C2/m (12) — Hallstedt 2025 mmc2 row for BETA_PU: Pu (beta)
Candidate (tdb_comment): beta-Pu · mC34 · C2/m — PuZr-10Kur.tdb: 'Prototype beta-Pu (mC34, C2/m)'
Candidate (tdb_comment): beta-Pu · mC34 · C2/m — PuZr-99Kur.tdb: 'Prototype beta-Pu (mC34, C2/m)'
Stability: stable in 2 of 2 calculated diagram(s): 397.42–514.61 K, x(Zr) 0–0.01408
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:pu-zr:pu-beta
paper: paper:10.1016/s0364-5916(00)00004-3:(ε-Pu,β-Zr)
tdb: tdb:PuZr-10Kur.tdb:BETA_PU, tdb:PuZr-99Kur.tdb:BETA_PU

TDB models of BETA_PU (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: BETA_PU, type code %, sha256 b56cc08b0fcadc13…

53: PHASE BETA_PU % 1 1 !
54: CONST BETA_PU : PU% ZR : !

PuZr-99Kur.tdb: BETA_PU, type code %, sha256 c511e212529d822f…

54: PHASE BETA_PU % 1 1 !
55: CONST BETA_PU : PU% ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase; reports values for this phase

GAMMA_PU (Pu–Zr)

Id: phase:pu-zr:pu-gamma; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model
Candidate (literature_printed): gamma-Pu · oF8 — printed with a label mapped to this phase
Candidate (sgte_mmc2): gamma-Pu · oF8 · Fddd (70) — Hallstedt 2025 mmc2 row for GAMMA_PU: Hg4In, Pu (gamma)
Candidate (tdb_comment): gamma-Pu · oF8 · Fddd — PuZr-10Kur.tdb: 'Prototype gamma-Pu (oF8, Fddd)'
Candidate (tdb_comment): gamma-Pu · oF8 · Fddd — PuZr-99Kur.tdb: 'Prototype gamma-Pu (oF8, Fddd)'
Stability: stable in 2 of 2 calculated diagram(s): 484.91–599.35 K, x(Zr) 0–0.01746
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:pu-zr:pu-gamma
paper: paper:10.1016/s0364-5916(00)00004-3:(δ-Pu,γ-Zr)
tdb: tdb:PuZr-10Kur.tdb:GAMMA_PU, tdb:PuZr-99Kur.tdb:GAMMA_PU

TDB models of GAMMA_PU (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: GAMMA_PU, type code %, sha256 b56cc08b0fcadc13…

58: PHASE GAMMA_PU % 1 1 !
59: CONST GAMMA_PU : PU% ZR : !

PuZr-99Kur.tdb: GAMMA_PU, type code %, sha256 c511e212529d822f…

59: PHASE GAMMA_PU % 1 1 !
60: CONST GAMMA_PU : PU% ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
assessment that models this phase; reports values for this phase

PU4ZR (Pu–Zr)

Id: phase:pu-zr:pu4zr; status assigned
Structure: Pu4Zr · tP80 · P4/ncc (130); type st:pu4zr-tp80; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 2 of 2 calculated diagram(s): 300–650.42 K, x(Zr) 0.12719–0.2
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pu-zr:pu4zr
tdb: tdb:PuZr-10Kur.tdb:PU4ZR, tdb:PuZr-99Kur.tdb:PU4ZR

TDB models of PU4ZR (2): PHASE and CONSTITUENT statements as written

PuZr-10Kur.tdb: PU4ZR, type code %, sha256 b56cc08b0fcadc13…

63: PHASE PU4ZR % 2 4 1 !
64: CONST PU4ZR : PU : ZR : !

PuZr-99Kur.tdb: PU4ZR, type code %, sha256 c511e212529d822f…

64: PHASE PU4ZR % 2 6 1 !
65: CONST PU4ZR : PU ZR : PU ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/S0364-5916(00)00004-3 M. Kurata, Calphad, 23, 305-37(1999).
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}
}