Nb–Zr phases

7 phases (tier A 6, liquid 1); 3 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 · Nb–Zr system page · Markdown · field reference

Phases of the Nb–Zr system (7)
Phase	Structure	Basis	Stability (calculated)	TDB models
BCC_A2 phase:nb-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–3999.1 K, x(Zr) 0–1	2
C14_LAVES phase:nb-zr:c14-laves	MgZn2 · C14 · hP12 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
C15_LAVES phase:nb-zr:c15-laves	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
C36_LAVES phase:nb-zr:c36-laves	MgNi2 · C36 · hP24 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
FCC_A1 phase:nb-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
HCP_A3 phase:nb-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2743.99 K, x(Zr) 0.99282–1	2
LIQUID phase:nb-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 2016.15–4000 K, x(Zr) 0–1	2

BCC_A2 (Nb–Zr)

Id: phase:nb-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): 300–3999.1 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zr:bcc-a2
tdb: tdb:NbZr-19Laf.tdb:BCC_A2, tdb:NbZr-91Fer-LB.tdb:BCC_A2

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

NbZr-19Laf.tdb: BCC_A2, type code %B, sha256 a42c533c5325c028…

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

NbZr-91Fer-LB.tdb: BCC_A2, type code %B, sha256 7909b901df4293ef…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : NB ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase
doi:10.1515/ijmr-1991-820609 A. Fernandez Guillermet, Z. Metallkd., 82, 478-87(1991).
assessment that models this phase

C14_LAVES (Nb–Zr)

Id: phase:nb-zr:c14-laves; status assigned
Structure: MgZn2 · C14 · hP12 · P6_3/mmc (194); type st:c14-mgzn2-hp12; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in NbZr-19Laf.tdb also describes the disordered state
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:nb-zr:c14-laves
tdb: tdb:NbZr-19Laf.tdb:C14_LAVES

TDB models of C14_LAVES (1): PHASE and CONSTITUENT statements as written

NbZr-19Laf.tdb: C14_LAVES, type code %, sha256 a42c533c5325c028…

43: PHASE C14_LAVES % 3 4 2 6 !
44: CONST C14_LAVES : NB ZR : NB ZR : NB ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase

C15_LAVES (Nb–Zr)

Id: phase:nb-zr:c15-laves; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in NbZr-19Laf.tdb also describes the disordered state
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:nb-zr:c15-laves
tdb: tdb:NbZr-19Laf.tdb:C15_LAVES

TDB models of C15_LAVES (1): PHASE and CONSTITUENT statements as written

NbZr-19Laf.tdb: C15_LAVES, type code %, sha256 a42c533c5325c028…

48: PHASE C15_LAVES % 2 2 1 !
49: CONST C15_LAVES : NB ZR : NB ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase

C36_LAVES (Nb–Zr)

Id: phase:nb-zr:c36-laves; status assigned
Structure: MgNi2 · C36 · hP24 · P6_3/mmc (194); type st:c36-mgni2-hp24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in NbZr-19Laf.tdb also describes the disordered state
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:nb-zr:c36-laves
tdb: tdb:NbZr-19Laf.tdb:C36_LAVES

TDB models of C36_LAVES (1): PHASE and CONSTITUENT statements as written

NbZr-19Laf.tdb: C36_LAVES, type code %, sha256 a42c533c5325c028…

53: PHASE C36_LAVES % 3 4 4 16 !
54: CONST C36_LAVES : NB ZR : NB ZR : NB ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase

FCC_A1 (Nb–Zr)

Id: phase:nb-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

Names (3): corpus: corpus:phase:nb-zr:fcc-a1
tdb: tdb:NbZr-19Laf.tdb:FCC_A1, tdb:NbZr-91Fer-LB.tdb:FCC_A1

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

NbZr-19Laf.tdb: FCC_A1, type code %A, sha256 a42c533c5325c028…

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

NbZr-91Fer-LB.tdb: FCC_A1, type code %A, sha256 7909b901df4293ef…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : NB ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase
doi:10.1515/ijmr-1991-820609 A. Fernandez Guillermet, Z. Metallkd., 82, 478-87(1991).
assessment that models this phase

HCP_A3 (Nb–Zr)

Id: phase:nb-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): 300–2743.99 K, x(Zr) 0.99282–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zr:hcp-a3
tdb: tdb:NbZr-19Laf.tdb:HCP_A3, tdb:NbZr-91Fer-LB.tdb:HCP_A3

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

NbZr-19Laf.tdb: HCP_A3, type code %A, sha256 a42c533c5325c028…

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

NbZr-91Fer-LB.tdb: HCP_A3, type code %A, sha256 7909b901df4293ef…

35: PHASE HCP_A3 %A 2 1 0.5 !
36: CONST HCP_A3 : NB ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase
doi:10.1515/ijmr-1991-820609 A. Fernandez Guillermet, Z. Metallkd., 82, 478-87(1991).
assessment that models this phase

LIQUID (Nb–Zr)

Id: phase:nb-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 2016.15–4000 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zr:liquid
tdb: tdb:NbZr-19Laf.tdb:LIQUID, tdb:NbZr-91Fer-LB.tdb:LIQUID

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

NbZr-19Laf.tdb: LIQUID, type code %, sha256 a42c533c5325c028…

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

NbZr-91Fer-LB.tdb: LIQUID, type code %, sha256 7909b901df4293ef…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : NB ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2018.11.002 P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, Calphad, 64, 43-54(2019).
assessment that models this phase
doi:10.1515/ijmr-1991-820609 A. Fernandez Guillermet, Z. Metallkd., 82, 478-87(1991).
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}
}