Nb–Zn phases

10 phases (tier A 5, 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 · Nb–Zn system page · Markdown · field reference

Phases of the Nb–Zn system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:nb-zn:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2768.73 K, x(Zn) 0–0.00095	2	1
FCC_A1 phase:nb-zn:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
HCP_A3 phase:nb-zn:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–692.73 K, x(Zn) 0.9999–1	2	1
LIQUID phase:nb-zn:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 300.23–4000 K, x(Zn) 0–1	14	1
NB2ZN3_D85 phase:nb-zn:nb2zn3-d85		needs_review	stable in 1 of 1 calculated diagram(s): 300–1387.75 K, x(Zn) 0.6–0.6	4	1
NBZN phase:nb-zn:nbzn		needs_review	stable in 1 of 1 calculated diagram(s): 300–1393.73 K, x(Zn) 0.5–0.5	4	1
NBZN15 phase:nb-zn:nbzn15	TiZn16 · oC68 · Cmcm (63)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–701.54 K, x(Zn) 0.9375–0.9375	10	1
NBZN2_C36 phase:nb-zn:nbzn2-c36	MgNi2 · C36 · hP24 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1328.33 K, x(Zn) 0.66667–0.66667	10	1
NBZN3_L12 phase:nb-zn:nbzn3-l12	AuCu3 · L1_2 · cP4 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1307.05 K, x(Zn) 0.75–0.75	8	1
NBZN7 phase:nb-zn:nbzn7		needs_review	stable in 1 of 1 calculated diagram(s): 300–750.27 K, x(Zn) 0.875–0.875	4	1

BCC_A2 (Nb–Zn)

Id: phase:nb-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): 300–2768.73 K, x(Zn) 0–0.00095
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:bcc-a2
paper: paper:10.1007/s11669-016-0457-z:(Nb)
tdb: tdb:NbZn-16Lon.tdb:BCC_A2

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

NbZn-16Lon.tdb: BCC_A2, type code %B, sha256 4ba787a0409d8de0…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : NB% ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase

FCC_A1 (Nb–Zn)

Id: phase:nb-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: 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-zn:fcc-a1
tdb: tdb:NbZn-16Lon.tdb:FCC_A1

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

NbZn-16Lon.tdb: FCC_A1, type code %A, sha256 4ba787a0409d8de0…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : NB ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase

HCP_A3 (Nb–Zn)

Id: phase:nb-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
Stability: stable in 1 of 1 calculated diagram(s): 300–692.73 K, x(Zn) 0.9999–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:hcp-a3
paper: paper:10.1007/s11669-016-0457-z:(Zn)
tdb: tdb:NbZn-16Lon.tdb:HCP_A3

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

NbZn-16Lon.tdb: HCP_A3, type code %A, sha256 4ba787a0409d8de0…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : NB ZN% : VA : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase

LIQUID (Nb–Zn)

Id: phase:nb-zn:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300.23–4000 K, x(Zn) 0–1
Literature: 14 values (14 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:liquid
paper: paper:10.1007/s11669-016-0457-z:L
tdb: tdb:NbZn-16Lon.tdb:LIQUID

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

NbZn-16Lon.tdb: LIQUID, type code %, sha256 4ba787a0409d8de0…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : NB ZN : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase

NB2ZN3_D85 (Nb–Zn)

Id: phase:nb-zn:nb2zn3-d85; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:stoichiometry_contradicts_D8_5; stoichiometry_contradicts_D8_5:NbZn-16Lon.tdb
Candidate (literature_printed): Fe7W6 · hR13 — printed with a label mapped to this phase
Candidate (name_token): Fe7W6 · D8_5 · hR13 · R-3m (166) — Strukturbericht/word 'D85' in the TDB name
Candidate (sgte_mmc2): Fe7W6 · D8_5 · hR13 · R-3m (166) — Hallstedt 2025 mmc2 row for NB2ZN3_D85: Nb2Zn3
Candidate (tdb_comment): — NbZn-16Lon.tdb: 'Prototype Fe7W6 (hR13)'
Stoichiometry: Nb 0.4000, Zn 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–1387.75 K, x(Zn) 0.6–0.6
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:nb2zn3-d85
paper: paper:10.1007/s11669-016-0457-z:NbZn1.5
tdb: tdb:NbZn-16Lon.tdb:NB2ZN3_D85

TDB models of NB2ZN3_D85 (1): PHASE and CONSTITUENT statements as written

NbZn-16Lon.tdb: NB2ZN3_D85, type code %, sha256 4ba787a0409d8de0…

46: PHASE NB2ZN3_D85 % 2 2 3 !
47: CONST NB2ZN3_D85 : NB : ZN : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase

NBZN (Nb–Zn)

Id: phase:nb-zn:nbzn; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (NbZn) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (NbZn) — Hallstedt 2025 mmc2 row for NBZN: NbZn
Stoichiometry: Nb 0.5000, Zn 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1393.73 K, x(Zn) 0.5–0.5
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:nbzn
paper: paper:10.1007/s11669-016-0457-z:NbZn
tdb: tdb:NbZn-16Lon.tdb:NBZN

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

NbZn-16Lon.tdb: NBZN, type code %, sha256 4ba787a0409d8de0…

41: PHASE NBZN % 2 1 1 !
42: CONST NBZN : NB : ZN : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase

NBZN15 (Nb–Zn)

Id: phase:nb-zn:nbzn15; status assigned
Structure: TiZn16 · oC68 · Cmcm (63); type st:tizn16-oc68; 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_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Nb 0.0625, Zn 0.9375
Stability: stable in 1 of 1 calculated diagram(s): 300–701.54 K, x(Zn) 0.9375–0.9375
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:nbzn15
paper: paper:10.1007/s11669-016-0457-z:NbZn15
tdb: tdb:NbZn-16Lon.tdb:NBZN15

TDB models of NBZN15 (1): PHASE and CONSTITUENT statements as written

NbZn-16Lon.tdb: NBZN15, type code %, sha256 4ba787a0409d8de0…

66: PHASE NBZN15 % 2 1 15 !
67: CONST NBZN15 : NB : ZN : !

Example references (2 of 2; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase
doi:10.1006/jssc.1998.8091 Tono Nasch, Wolfgang Jeitschko, Niobium and Molybdenum Compounds with High Zinc Content: NbZn3, NbZn16, and MoZn20.44, Journal of Solid State Chemistry 143, 95-103 (1999).
cited as the source of values for this phase

NBZN2_C36 (Nb–Zn)

Id: phase:nb-zn:nbzn2-c36; status assigned
Structure: MgNi2 · C36 · hP24 · P6_3/mmc (194); type st:c36-mgni2-hp24; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaabtoo and oqmd-17758, space group 194
Stoichiometry: Nb 0.3333, Zn 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1328.33 K, x(Zn) 0.66667–0.66667
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nb-zn:nbzn2-c36
mp: mp:mp-aaaabtoo
oqmd: oqmd:oqmd-17758
paper: paper:10.1007/s11669-016-0457-z:NbZn2
tdb: tdb:NbZn-16Lon.tdb:NBZN2_C36

TDB models of NBZN2_C36 (1): PHASE and CONSTITUENT statements as written

NbZn-16Lon.tdb: NBZN2_C36, type code %, sha256 4ba787a0409d8de0…

51: PHASE NBZN2_C36 % 2 1 2 !
52: CONST NBZN2_C36 : NB : ZN : !

Example references (2 of 2; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase
doi:10.1107/s0365110x61003764 C. L. Vold, The crystal structure of NbZn<sub>2</sub>, Acta Cryst 14, 1289-1290 (1961).
cited as the source of values for this phase

NBZN3_L12 (Nb–Zn)

Id: phase:nb-zn:nbzn3-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: DFT agrees: on-hull mp-aaaaabkr and oqmd-17759, space group 221
Stoichiometry: Nb 0.2500, Zn 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1307.05 K, x(Zn) 0.75–0.75
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nb-zn:nbzn3-l12
mp: mp:mp-aaaaabkr
oqmd: oqmd:oqmd-17759
paper: paper:10.1007/s11669-016-0457-z:NbZn3
tdb: tdb:NbZn-16Lon.tdb:NBZN3_L12

TDB models of NBZN3_L12 (1): PHASE and CONSTITUENT statements as written

NbZn-16Lon.tdb: NBZN3_L12, type code %, sha256 4ba787a0409d8de0…

56: PHASE NBZN3_L12 % 2 1 3 !
57: CONST NBZN3_L12 : NB : ZN : !

Example references (2 of 2; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
assessment that models this phase; reports values for this phase
doi:10.1006/jssc.1998.8091 Tono Nasch, Wolfgang Jeitschko, Niobium and Molybdenum Compounds with High Zinc Content: NbZn3, NbZn16, and MoZn20.44, Journal of Solid State Chemistry 143, 95-103 (1999).
cited as the source of values for this phase

NBZN7 (Nb–Zn)

Id: phase:nb-zn:nbzn7; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (NbZn7) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (NbZn7) — Hallstedt 2025 mmc2 row for NBZN7: NbZn7
Stoichiometry: Nb 0.1250, Zn 0.8750
Stability: stable in 1 of 1 calculated diagram(s): 300–750.27 K, x(Zn) 0.875–0.875
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nb-zn:nbzn7
paper: paper:10.1007/s11669-016-0457-z:NbZn7
tdb: tdb:NbZn-16Lon.tdb:NBZN7

TDB models of NBZN7 (1): PHASE and CONSTITUENT statements as written

NbZn-16Lon.tdb: NBZN7, type code %, sha256 4ba787a0409d8de0…

61: PHASE NBZN7 % 2 1 7 !
62: CONST NBZN7 : NB : ZN : !

Example references (1 of 1; assessments first):

doi:10.1007/s11669-016-0457-z Zhaohui Long, Jin Gong, Jing Ding, Chihua Tang, Zhi Li, Fucheng Yin, Thermodynamic Assessment of Zn-Fe-Nb Ternary System, J. Phase Equilib. Diffus. 37, 293-300 (2016).
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}
}