# Zn–Zr phases

> Zn–Zr system: 12 phases (tier A 6, tier B 1, tier C 2, liquid 1, needs_review 2); 11 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references.

HTML: https://data.orchid-project.org/phases/pages/ZN-ZR.html · Markdown: https://data.orchid-project.org/phases/pages/ZN-ZR.md

12 phases (tier A 6, tier B 1, tier C 2, liquid 1, needs_review 2); 11 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](https://orchid-project.org/phases/?q=ZN-ZR) · [full JSON](https://data.orchid-project.org/phases/systems/ZN-ZR.json) · [Zn–Zr system page](https://data.orchid-project.org/systems/ZN-ZR.html) · [Markdown](https://data.orchid-project.org/phases/pages/ZN-ZR.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md)

Table: Phases of the Zn–Zr system (12)

| Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models |
|---|---|---|---|---:|---:|
| [BCC_A2](#phase-zn-zr-bcc-a2); _phase:zn-zr:bcc-a2_ | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 990.92–3178.55 K, x(Zr) 0.72038–1 | 12 | 2 |
| [FCC_A1](#phase-zn-zr-fcc-a1); _phase:zn-zr:fcc-a1_ | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | not stable in 2 calculated diagram(s) | 0 | 2 |
| [HCP_A3](#phase-zn-zr-hcp-a3); _phase:zn-zr:hcp-a3_ | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–1146.18 K, x(Zr) 0–1 | 10 | 2 |
| [LIQUID](#phase-zn-zr-liquid); _phase:zn-zr:liquid_ | liquid | liquid | stable in 2 of 2 calculated diagram(s): 692.67–4000 K, x(Zr) 0–1 | 26 | 2 |
| [ZN22ZR](#phase-zn-zr-zn22zr); _phase:zn-zr:zn22zr_ | Zn22Zr · cF184 · Fd-3m (227) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 2 of 2 calculated diagram(s): 300–816.74 K, x(Zr) 0.04348–0.04348 | 12 | 2 |
| [ZN2ZR_C15](#phase-zn-zr-zn2zr-c15); _phase:zn-zr:zn2zr-c15_ | Cu2Mg · C15 · cF24 · Fd-3m (227) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–1456.88 K, x(Zr) 0.33333–0.33333 | 18 | 2 |
| [ZN2ZR3](#phase-zn-zr-zn2zr3); _phase:zn-zr:zn2zr3_ |  | needs_review | stable in 2 of 2 calculated diagram(s): 1207.38–1308.38 K, x(Zr) 0.6–0.6 | 3 | 2 |
| [ZN39ZR5](#phase-zn-zr-zn39zr5); _phase:zn-zr:zn39zr5_ | Zn39Zr5 · mC88 · C2/m (12) | tier B: DFT-supported (unique MP + OQMD match) | stable in 2 of 2 calculated diagram(s): 300–1021.03 K, x(Zr) 0.11364–0.11364 | 7 | 2 |
| [ZN3ZR_HT](#phase-zn-zr-zn3zr); _phase:zn-zr:zn3zr_ |  | needs_review | stable in 2 of 2 calculated diagram(s): 1182.66–1374.5 K, x(Zr) 0.25–0.25 | 7 | 2 |
| [ZN3ZR_D023](#phase-zn-zr-zn3zr-d023); _phase:zn-zr:zn3zr-d023_ | Al3Zr · D0_23 · tI16 · I4/mmm (139) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–1182.99 K, x(Zr) 0.25–0.25 | 6 | 2 |
| [ZNZR_B2](#phase-zn-zr-znzr-b2); _phase:zn-zr:znzr-b2_ | CsCl · B2 · cP2 · Pm-3m (221) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–1380 K, x(Zr) 0.5–0.5 | 22 | 2 |
| [ZNZR2](#phase-zn-zr-znzr2); _phase:zn-zr:znzr2_ | CuZr2 · tI6 · I4/mmm (139) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 2 of 2 calculated diagram(s): 976.56–1025.38 K, x(Zr) 0.66667–0.66667 | 17 | 2 |

## BCC_A2 (Zn–Zr)

- Id: `phase:zn-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): 990.92–3178.55 K, x(Zr) 0.72038–1
- Literature: 12 values (12 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:bcc-a2)

Names (4): _corpus: _corpus:phase:zn-zr:bcc-a2  
_paper: _paper:10.1016/j.calphad.2005.12.006:bcc  
_tdb: _tdb:ZnZr-06Arr-first.tdb:BCC_A2, tdb:ZnZr-06Arr-second.tdb:BCC_A2  


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

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): BCC_A2, type code %B, sha256 `d8bfc9b911d493b6…`

~~~~text
38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : ZN ZR% : VA : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): BCC_A2, type code %B, sha256 `223fd6e8657920e1…`

~~~~text
43: PHASE BCC_A2 %B 2 1 3 !
44: CONST BCC_A2 : ZN ZR% : VA : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## FCC_A1 (Zn–Zr)

- Id: `phase:zn-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: not stable in 2 calculated diagram(s)
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:fcc-a1)

Names (3): _corpus: _corpus:phase:zn-zr:fcc-a1  
_tdb: _tdb:ZnZr-06Arr-first.tdb:FCC_A1, tdb:ZnZr-06Arr-second.tdb:FCC_A1  


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

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): FCC_A1, type code %A, sha256 `d8bfc9b911d493b6…`

~~~~text
33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : ZN ZR : VA : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): FCC_A1, type code %A, sha256 `223fd6e8657920e1…`

~~~~text
38: PHASE FCC_A1 %A 2 1 1 !
39: CONST FCC_A1 : ZN ZR : VA : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase_

## HCP_A3 (Zn–Zr)

- Id: `phase:zn-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): 300–1146.18 K, x(Zr) 0–1
- Literature: 10 values (10 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:hcp-a3)

Names (4): _corpus: _corpus:phase:zn-zr:hcp-a3  
_paper: _paper:10.1016/j.calphad.2005.12.006:hcp  
_tdb: _tdb:ZnZr-06Arr-first.tdb:HCP_A3, tdb:ZnZr-06Arr-second.tdb:HCP_A3  


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

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): HCP_A3, type code %A, sha256 `d8bfc9b911d493b6…`

~~~~text
43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : ZN ZR% : VA : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): HCP_A3, type code %A, sha256 `223fd6e8657920e1…`

~~~~text
48: PHASE HCP_A3 %A 2 1 0.5 !
49: CONST HCP_A3 : ZN ZR% : VA : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## LIQUID (Zn–Zr)

- Id: `phase:zn-zr:liquid`; status `assigned`
- Structure: liquid; type `st:liquid`; liquid; confidence high
- Stability: stable in 2 of 2 calculated diagram(s): 692.67–4000 K, x(Zr) 0–1
- Literature: 26 values (26 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:liquid)

Names (5): _corpus: _corpus:phase:zn-zr:liquid  
_paper: _paper:10.1016/j.calphad.2005.12.006:L, paper:10.1016/j.calphad.2005.12.006:liquid  
_tdb: _tdb:ZnZr-06Arr-first.tdb:LIQUID, tdb:ZnZr-06Arr-second.tdb:LIQUID  


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

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): LIQUID, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : ZN ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): LIQUID, type code %, sha256 `223fd6e8657920e1…`

~~~~text
33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : ZN ZN2ZR ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN22ZR (Zn–Zr)

- Id: `phase:zn-zr:zn22zr`; status `assigned`
- Structure: Zn22Zr · cF184 · Fd-3m (227); type `st:zn22zr-cf184`; 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](https://doi.org/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: Zn 0.9565, Zr 0.0435
- Stability: stable in 2 of 2 calculated diagram(s): 300–816.74 K, x(Zr) 0.04348–0.04348
- Literature: 12 values (12 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn22zr)

Names (4): _corpus: _corpus:phase:zn-zr:zn22zr  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn22Zr  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN22ZR, tdb:ZnZr-06Arr-second.tdb:ZN22ZR  


### TDB models of ZN22ZR (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN22ZR, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
48: PHASE ZN22ZR % 2 22 1 !
49: CONST ZN22ZR : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN22ZR, type code %, sha256 `223fd6e8657920e1…`

~~~~text
53: PHASE ZN22ZR % 2 22 1 !
54: CONST ZN22ZR : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN2ZR_C15 (Zn–Zr)

- Id: `phase:zn-zr:zn2zr-c15`; status `assigned`
- Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type `st:c15-cu2mg-cf24`; tier A: standard phase name; confidence high
- Caveat: DFT agrees: on-hull mp-aaaaacbx and oqmd-18188, space group 227
- Stoichiometry: Zn 0.6667, Zr 0.3333
- Stability: stable in 2 of 2 calculated diagram(s): 300–1456.88 K, x(Zr) 0.33333–0.33333
- Literature: 18 values (18 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn2zr-c15)

Names (6): _corpus: _corpus:phase:zn-zr:zn2zr-c15  
_mp: _mp:mp-aaaaacbx  
_oqmd: _oqmd:oqmd-18188  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn2Zr  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN2ZR_C15, tdb:ZnZr-06Arr-second.tdb:ZN2ZR_C15  


### TDB models of ZN2ZR_C15 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN2ZR_C15, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
68: PHASE ZN2ZR_C15 % 2 2 1 !
69: CONST ZN2ZR_C15 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN2ZR_C15, type code %, sha256 `223fd6e8657920e1…`

~~~~text
73: PHASE ZN2ZR_C15 % 2 2 1 !
74: CONST ZN2ZR_C15 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN2ZR3 (Zn–Zr)

- Id: `phase:zn-zr:zn2zr3`; status `needs_review`
- No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
- Candidate (sgte_mmc2): (Zn2Zr3) — Hallstedt 2025 mmc2 row for ZN2ZR3: Zn2Zr3
- Stoichiometry: Zn 0.4000, Zr 0.6000
- Stability: stable in 2 of 2 calculated diagram(s): 1207.38–1308.38 K, x(Zr) 0.6–0.6
- Literature: 3 values (3 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn2zr3)

Names (4): _corpus: _corpus:phase:zn-zr:zn2zr3  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn2Zr3  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN2ZR3, tdb:ZnZr-06Arr-second.tdb:ZN2ZR3  


### TDB models of ZN2ZR3 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN2ZR3, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
78: PHASE ZN2ZR3 % 2 2 3 !
79: CONST ZN2ZR3 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN2ZR3, type code %, sha256 `223fd6e8657920e1…`

~~~~text
83: PHASE ZN2ZR3 % 2 2 3 !
84: CONST ZN2ZR3 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN39ZR5 (Zn–Zr)

- Id: `phase:zn-zr:zn39zr5`; status `assigned`
- Structure: Zn39Zr5 · mC88 · C2/m (12); type `st:zn39zr5-mc88`; tier B: DFT-supported (unique MP + OQMD match); confidence high
- Stoichiometry: Zn 0.8864, Zr 0.1136
- Stability: stable in 2 of 2 calculated diagram(s): 300–1021.03 K, x(Zr) 0.11364–0.11364
- Literature: 7 values (7 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn39zr5)

Names (6): _corpus: _corpus:phase:zn-zr:zn39zr5  
_mp: _mp:mp-aaacqsdz  
_oqmd: _oqmd:oqmd-685473  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn39Zr5  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN39ZR5, tdb:ZnZr-06Arr-second.tdb:ZN39ZR5  


### TDB models of ZN39ZR5 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN39ZR5, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
53: PHASE ZN39ZR5 % 2 39 5 !
54: CONST ZN39ZR5 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN39ZR5, type code %, sha256 `223fd6e8657920e1…`

~~~~text
58: PHASE ZN39ZR5 % 2 39 5 !
59: CONST ZN39ZR5 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN3ZR_HT (Zn–Zr)

- Id: `phase:zn-zr:zn3zr`; status `needs_review`
- No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_row_incomplete
- Candidate (dft_mp): P6_3/mmc (194) — on-hull MP ZrZn3 at x(ZR)=0.2500
- Candidate (dft_oqmd): P63/mmc (194) — on-hull OQMD Zn3 Zr1 at x(ZR)=0.2500
- Candidate (literature_printed): (Zn3Zr-ht) · c\*\* — printed with a label mapped to this phase
- Candidate (sgte_mmc2): (Zn3Zr-ht) — Hallstedt 2025 mmc2 row for ZN3ZR_HT: Zn3Zr (high T)
- Candidate (tdb_comment):  — ZnZr-06Arr-first.tdb: 'Prototype ? (c\*\*)'
- Candidate (tdb_comment):  — ZnZr-06Arr-second.tdb: 'Prototype ? (c\*\*)'
- Stoichiometry: Zn 0.7500, Zr 0.2500
- Stability: stable in 2 of 2 calculated diagram(s): 1182.66–1374.5 K, x(Zr) 0.25–0.25
- Literature: 7 values (7 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn3zr)

Names (4): _corpus: _corpus:phase:zn-zr:zn3zr  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn3Zr h  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN3ZR_HT, tdb:ZnZr-06Arr-second.tdb:ZN3ZR_HT  


### TDB models of ZN3ZR_HT (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN3ZR_HT, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
63: PHASE ZN3ZR_HT % 2 3 1 !
64: CONST ZN3ZR_HT : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN3ZR_HT, type code %, sha256 `223fd6e8657920e1…`

~~~~text
68: PHASE ZN3ZR_HT % 2 3 1 !
69: CONST ZN3ZR_HT : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZN3ZR_D023 (Zn–Zr)

- Id: `phase:zn-zr:zn3zr-d023`; status `assigned`
- Structure: Al3Zr · D0_23 · tI16 · I4/mmm (139); type `st:d0-23-al3zr-ti16`; tier A: standard phase name; confidence high
- Stoichiometry: Zn 0.7500, Zr 0.2500
- Stability: stable in 2 of 2 calculated diagram(s): 300–1182.99 K, x(Zr) 0.25–0.25
- Literature: 6 values (6 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:zn3zr-d023)

Names (4): _corpus: _corpus:phase:zn-zr:zn3zr-d023  
_paper: _paper:10.1016/j.calphad.2005.12.006:Zn3Zr l  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZN3ZR_D023, tdb:ZnZr-06Arr-second.tdb:ZN3ZR_D023  


### TDB models of ZN3ZR_D023 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZN3ZR_D023, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
58: PHASE ZN3ZR_D023 % 2 3 1 !
59: CONST ZN3ZR_D023 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZN3ZR_D023, type code %, sha256 `223fd6e8657920e1…`

~~~~text
63: PHASE ZN3ZR_D023 % 2 3 1 !
64: CONST ZN3ZR_D023 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZNZR_B2 (Zn–Zr)

- Id: `phase:zn-zr:znzr-b2`; status `assigned`
- Structure: CsCl · B2 · cP2 · Pm-3m (221); type `st:b2-cscl-cp2`; tier A: standard phase name; confidence high
- Caveat: DFT agrees: on-hull mp-aaabglps and oqmd-116235, space group 221
- Stoichiometry: Zn 0.5000, Zr 0.5000
- Stability: stable in 2 of 2 calculated diagram(s): 300–1380 K, x(Zr) 0.5–0.5
- Literature: 22 values (22 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:znzr-b2)

Names (6): _corpus: _corpus:phase:zn-zr:znzr-b2  
_mp: _mp:mp-aaabglps  
_oqmd: _oqmd:oqmd-116235  
_paper: _paper:10.1016/j.calphad.2005.12.006:ZnZr  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZNZR_B2, tdb:ZnZr-06Arr-second.tdb:ZNZR_B2  


### TDB models of ZNZR_B2 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZNZR_B2, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
73: PHASE ZNZR_B2 % 2 1 1 !
74: CONST ZNZR_B2 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZNZR_B2, type code %, sha256 `223fd6e8657920e1…`

~~~~text
78: PHASE ZNZR_B2 % 2 1 1 !
79: CONST ZNZR_B2 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_assessment that models this phase; reports values for this phase_

## ZNZR2 (Zn–Zr)

- Id: `phase:zn-zr:znzr2`; status `assigned`
- Structure: CuZr2 · tI6 · I4/mmm (139); type `st:cuzr2-ti6`; 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](https://doi.org/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: Zn 0.3333, Zr 0.6667
- Stability: stable in 2 of 2 calculated diagram(s): 976.56–1025.38 K, x(Zr) 0.66667–0.66667
- Literature: 17 values (17 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:zn-zr:znzr2)

Names (4): _corpus: _corpus:phase:zn-zr:znzr2  
_paper: _paper:10.1016/j.calphad.2005.12.006:ZnZr2  
_tdb: _tdb:ZnZr-06Arr-first.tdb:ZNZR2, tdb:ZnZr-06Arr-second.tdb:ZNZR2  


### TDB models of ZNZR2 (2): PHASE and CONSTITUENT statements as written

[ZnZr-06Arr-first.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb): ZNZR2, type code %, sha256 `d8bfc9b911d493b6…`

~~~~text
83: PHASE ZNZR2 % 2 1 2 !
84: CONST ZNZR2 : ZN : ZR : !
~~~~

[ZnZr-06Arr-second.tdb](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb): ZNZR2, type code %, sha256 `223fd6e8657920e1…`

~~~~text
88: PHASE ZNZR2 % 2 1 2 !
89: CONST ZNZR2 : ZN : ZR : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).  
_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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).