Ir–Zr phases

11 phases (tier A 7, tier B 1, tier C 1, liquid 1, needs_review 1); 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 · full JSON · Ir–Zr system page · Markdown · field reference

Phases of the Ir–Zr system (11)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:ir-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1047.74–2177.6 K, x(Zr) 0.93188–1	4	1
FCC_A1 phase:ir-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2719 K, x(Zr) 0–0.08758	2	1
HCP_A3 phase:ir-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2123.99 K, x(Zr) 0.992–1	2	1
IR2ZR_C15 phase:ir-zr:ir2zr-c15	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2358.36 K, x(Zr) 0.33333–0.33333	6	1
IR3ZR_L12 phase:ir-zr:ir3zr-l12	AuCu3 · L1_2 · cP4 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2552.99 K, x(Zr) 0.18501–0.30176	6	1
IR3ZR5 phase:ir-zr:ir3zr5	Ir3Zr5 · hP48 · P6_122 (178)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–2003.07 K, x(Zr) 0.625–0.625	6	1
IRZR_ALPHA phase:ir-zr:irzr-alpha		needs_review	stable in 1 of 1 calculated diagram(s): 300–1223.02 K, x(Zr) 0.5–0.50293	4	1
IRZR_B2 phase:ir-zr:irzr-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1173.01–2322.86 K, x(Zr) 0.48832–0.54511	10	1
IRZR2_C16 phase:ir-zr:irzr2-c16	Al2Cu · C16 · tI12 · I4/mcm (140)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1613 K, x(Zr) 0.66667–0.66667	4	1
IRZR3 phase:ir-zr:irzr3	V3S · tI32 · I-42m (121)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1578.23 K, x(Zr) 0.75–0.75	6	1
LIQUID phase:ir-zr:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1512.6–4000 K, x(Zr) 0–1	18	1

BCC_A2 (Ir–Zr)

Id: phase:ir-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 1 of 1 calculated diagram(s): 1047.74–2177.6 K, x(Zr) 0.93188–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:bcc-a2
paper: paper:10.1016/j.jallcom.2005.06.060:bcc(Zr)
tdb: tdb:IrZr-06Ran-LB.tdb:BCC_A2

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

IrZr-06Ran-LB.tdb: BCC_A2, type code %B, sha256 3cccb56ac9c0e55c…

36: PHASE BCC_A2 %B 2 1 3 !
37: CONST BCC_A2 : IR ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

FCC_A1 (Ir–Zr)

Id: phase:ir-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 1 of 1 calculated diagram(s): 300–2719 K, x(Zr) 0–0.08758
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:fcc-a1
paper: paper:10.1016/j.jallcom.2005.06.060:fcc(Ir)
tdb: tdb:IrZr-06Ran-LB.tdb:FCC_A1

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

IrZr-06Ran-LB.tdb: FCC_A1, type code %A, sha256 3cccb56ac9c0e55c…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : IR% ZR : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

HCP_A3 (Ir–Zr)

Id: phase:ir-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 1 of 1 calculated diagram(s): 300–2123.99 K, x(Zr) 0.992–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:hcp-a3
paper: paper:10.1016/j.jallcom.2005.06.060:hcp(Zr)
tdb: tdb:IrZr-06Ran-LB.tdb:HCP_A3

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

IrZr-06Ran-LB.tdb: HCP_A3, type code %A, sha256 3cccb56ac9c0e55c…

41: PHASE HCP_A3 %A 2 1 0.5 !
42: CONST HCP_A3 : IR ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IR2ZR_C15 (Ir–Zr)

Id: phase:ir-zr:ir2zr-c15; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Stoichiometry: Ir 0.6667, Zr 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–2358.36 K, x(Zr) 0.33333–0.33333
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:ir2zr-c15
paper: paper:10.1016/j.jallcom.2005.06.060:Ir2Zr
tdb: tdb:IrZr-06Ran-LB.tdb:IR2ZR_C15

TDB models of IR2ZR_C15 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IR2ZR_C15, type code %, sha256 3cccb56ac9c0e55c…

51: PHASE IR2ZR_C15 % 2 2 1 !
52: CONST IR2ZR_C15 : IR : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IR3ZR_L12 (Ir–Zr)

Id: phase:ir-zr:ir3zr-l12; status assigned
Structure: AuCu3 · L1_2 · cP4 · Pm-3m (221); type st:l1-2-aucu3-cp4; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in IrZr-06Ran-LB.tdb also describes the disordered state
Stability: stable in 1 of 1 calculated diagram(s): 300–2552.99 K, x(Zr) 0.18501–0.30176
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:ir3zr-l12
paper: paper:10.1016/j.jallcom.2005.06.060:Ir3Zr
tdb: tdb:IrZr-06Ran-LB.tdb:IR3ZR_L12

TDB models of IR3ZR_L12 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IR3ZR_L12, type code %, sha256 3cccb56ac9c0e55c…

46: PHASE IR3ZR_L12 % 2 3 1 !
47: CONST IR3ZR_L12 : IR% ZR : IR ZR% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IR3ZR5 (Ir–Zr)

Id: phase:ir-zr:ir3zr5; status assigned
Structure: Ir3Zr5 · hP48 · P6_122 (178); type st:ir3zr5-hp48; 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 (mp_oqmd_space_groups_differ, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Ir 0.3750, Zr 0.6250
Stability: stable in 1 of 1 calculated diagram(s): 300–2003.07 K, x(Zr) 0.625–0.625
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:ir3zr5
paper: paper:10.1016/j.jallcom.2005.06.060:Ir3Zr5
tdb: tdb:IrZr-06Ran-LB.tdb:IR3ZR5

TDB models of IR3ZR5 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IR3ZR5, type code %, sha256 3cccb56ac9c0e55c…

66: PHASE IR3ZR5 % 2 3 5 !
67: CONST IR3ZR5 : IR : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IRZR_ALPHA (Ir–Zr)

Id: phase:ir-zr:irzr-alpha; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model; sgte_mmc2_row_incomplete
Candidate (dft_mp): Cmcm (63) — on-hull MP ZrIr at x(ZR)=0.5000
Candidate (dft_oqmd): Cmcm (63) — on-hull OQMD Ir1 Zr1 at x(ZR)=0.5000
Candidate (sgte_mmc2): (alpha-IrZr) — Hallstedt 2025 mmc2 row for IRZR_ALPHA: alpha-IrZr
Stability: stable in 1 of 1 calculated diagram(s): 300–1223.02 K, x(Zr) 0.5–0.50293
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:irzr-alpha
paper: paper:10.1016/j.jallcom.2005.06.060:αIrZr
tdb: tdb:IrZr-06Ran-LB.tdb:IRZR_ALPHA

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

IrZr-06Ran-LB.tdb: IRZR_ALPHA, type code %, sha256 3cccb56ac9c0e55c…

56: PHASE IRZR_ALPHA % 2 1 1 !
57: CONST IRZR_ALPHA : IR% ZR : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IRZR_B2 (Ir–Zr)

Id: phase:ir-zr:irzr-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in IrZr-06Ran-LB.tdb also describes the disordered state
Stability: stable in 1 of 1 calculated diagram(s): 1173.01–2322.86 K, x(Zr) 0.48832–0.54511
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:irzr-b2
paper: paper:10.1016/j.jallcom.2005.06.060:βIrZr
tdb: tdb:IrZr-06Ran-LB.tdb:IRZR_B2

TDB models of IRZR_B2 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IRZR_B2, type code %, sha256 3cccb56ac9c0e55c…

61: PHASE IRZR_B2 % 2 1 1 !
62: CONST IRZR_B2 : IR% ZR : IR ZR% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IRZR2_C16 (Ir–Zr)

Id: phase:ir-zr:irzr2-c16; status assigned
Structure: Al2Cu · C16 · tI12 · I4/mcm (140); type st:c16-al2cu-ti12; tier A: standard phase name; confidence high
Stoichiometry: Ir 0.3333, Zr 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1613 K, x(Zr) 0.66667–0.66667
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:irzr2-c16
paper: paper:10.1016/j.jallcom.2005.06.060:IrZr2
tdb: tdb:IrZr-06Ran-LB.tdb:IRZR2_C16

TDB models of IRZR2_C16 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IRZR2_C16, type code %, sha256 3cccb56ac9c0e55c…

71: PHASE IRZR2_C16 % 2 1 2 !
72: CONST IRZR2_C16 : IR : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

IRZR3 (Ir–Zr)

Id: phase:ir-zr:irzr3; status assigned
Structure: V3S · tI32 · I-42m (121); type st:v3s-ti32; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Ir 0.2500, Zr 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1578.23 K, x(Zr) 0.75–0.75
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ir-zr:irzr3
mp: mp:mp-aaaabtmq
oqmd: oqmd:oqmd-17542
paper: paper:10.1016/j.jallcom.2005.06.060:IrZr3
tdb: tdb:IrZr-06Ran-LB.tdb:IRZR3

TDB models of IRZR3 (1): PHASE and CONSTITUENT statements as written

IrZr-06Ran-LB.tdb: IRZR3, type code %, sha256 3cccb56ac9c0e55c…

76: PHASE IRZR3 % 2 1 3 !
77: CONST IRZR3 : IR : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (2006).
assessment that models this phase; reports values for this phase

LIQUID (Ir–Zr)

Id: phase:ir-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1512.6–4000 K, x(Zr) 0–1
Literature: 18 values (18 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ir-zr:liquid
paper: paper:10.1016/j.jallcom.2005.06.060:liquid
tdb: tdb:IrZr-06Ran-LB.tdb:LIQUID

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

IrZr-06Ran-LB.tdb: LIQUID, type code %, sha256 3cccb56ac9c0e55c…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : IR ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.06.060 Hongtao Ran, Zhenmin Du, Thermodynamic assessment of the Ir–Zr system, Journal of Alloys and Compounds 413, 101-105 (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). 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}
}