N–Zr phases

6 phases (tier A 2, liquid 1, gas 2, interstitial_fcc_a1_compound 1); 6 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 · N–Zr system page · Markdown · field reference

Phases of the N–Zr system (6)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:n-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 1139.03–2153.32 K, x(N) 0–0.06386	2	2
FCC_A1 phase:n-zr:fcc-a1	NaCl · B1 · cF8 · Fm-3m (225)	assigned	stable in 2 of 2 calculated diagram(s): 300–3300.91 K, x(N) 0.38143–0.5	12	2
GAS phase:n-zr:gas	gas	gas	stable in 2 of 2 calculated diagram(s): 300.24–4000 K, x(N) 0.97934–1	0	2
HCP_A3 phase:n-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2272.29 K, x(N) 0–0.23084	2	2
LIQUID phase:n-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 2032.86–4000 K, x(N) 0–0.37367	0	2
N2GAS phase:n-zr:n2gas	gas	gas	stable in 2 of 2 calculated diagram(s): 300–2185 K, x(N) 1–1	0	2

BCC_A2 (N–Zr)

Id: phase:n-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): 1139.03–2153.32 K, x(N) 0–0.06386
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:n-zr:bcc-a2
paper: paper:10.1016/j.jallcom.2003.10.051:bcc
tdb: tdb:ZrN-04Ma.tdb:BCC_A2, tdb:ZrN-17Sri.tdb:BCC_A2

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

ZrN-04Ma.tdb: BCC_A2, type code %B, sha256 8443e7ae10cd938f…

37: PHASE BCC_A2 %B 2 1 3 !
38: CONST BCC_A2 : ZR : VA% N : !

ZrN-17Sri.tdb: BCC_A2, type code %B, sha256 db8a7c91478b8f7f…

41: PHASE BCC_A2 %B 2 1 3 !
42: CONST BCC_A2 : ZR : VA% N : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase

FCC_A1 (N–Zr)

Id: phase:n-zr:fcc-a1; status assigned
Structure: NaCl · B1 · cF8 · Fm-3m (225); type st:b1-nacl-cf8; interstitial_fcc_a1_compound; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300–3300.91 K, x(N) 0.38143–0.5
Literature: 12 values (12 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:n-zr:fcc-a1
paper: paper:10.1016/j.jallcom.2003.10.051:ZrN
tdb: tdb:ZrN-04Ma.tdb:FCC_A1, tdb:ZrN-17Sri.tdb:FCC_A1

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

ZrN-04Ma.tdb: FCC_A1, type code %A, sha256 8443e7ae10cd938f…

32: PHASE FCC_A1 %A 2 1 1 !
33: CONST FCC_A1 : ZR : VA N% : !

ZrN-17Sri.tdb: FCC_A1, type code %A, sha256 db8a7c91478b8f7f…

36: PHASE FCC_A1 %A 2 1 1 !
37: CONST FCC_A1 : ZR : VA N% : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase
doi:10.1103/physrevb.45.11557 A. Fernández Guillermet, J. Häglund, G. Grimvall, Cohesive properties of 4<i>d</i>-transition-metal carbides and nitrides in the NaCl-type structure, Phys. Rev. B 45, 11557-11567 (1992).
cited as the source of values for this phase

GAS (N–Zr)

Id: phase:n-zr:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300.24–4000 K, x(N) 0.97934–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:n-zr:gas
tdb: tdb:ZrN-04Ma.tdb:GAS, tdb:ZrN-17Sri.tdb:GAS

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

ZrN-04Ma.tdb: GAS, type code %, sha256 8443e7ae10cd938f…

48: PHASE GAS:G % 1 1 !
49: CONST GAS:G : N N2 N3 ZR ZR2 ZRN : !

ZrN-17Sri.tdb: GAS, type code %, sha256 db8a7c91478b8f7f…

52: PHASE GAS:G % 1 1 !
53: CONST GAS:G : N N2 N3 ZR ZR2 ZRN : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase
doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
assessment that models this phase

HCP_A3 (N–Zr)

Id: phase:n-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): 300–2272.29 K, x(N) 0–0.23084
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:n-zr:hcp-a3
paper: paper:10.1016/j.jallcom.2003.10.051:hcp
tdb: tdb:ZrN-04Ma.tdb:HCP_A3, tdb:ZrN-17Sri.tdb:HCP_A3

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

ZrN-04Ma.tdb: HCP_A3, type code %A, sha256 8443e7ae10cd938f…

42: PHASE HCP_A3 %A 2 1 0.5 !
43: CONST HCP_A3 : ZR : VA% N : !

ZrN-17Sri.tdb: HCP_A3, type code %A, sha256 db8a7c91478b8f7f…

46: PHASE HCP_A3 %A 2 1 0.5 !
47: CONST HCP_A3 : ZR : VA% N : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase

LIQUID (N–Zr)

Id: phase:n-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 2032.86–4000 K, x(N) 0–0.37367
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:n-zr:liquid
tdb: tdb:ZrN-04Ma.tdb:LIQUID, tdb:ZrN-17Sri.tdb:LIQUID

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

ZrN-04Ma.tdb: LIQUID, type code %, sha256 8443e7ae10cd938f…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : ZR N : !

ZrN-17Sri.tdb: LIQUID, type code %, sha256 db8a7c91478b8f7f…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : ZR N : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase
doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
assessment that models this phase

N2GAS (N–Zr)

Id: phase:n-zr:n2gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300–2185 K, x(N) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:n-zr:n2gas
tdb: tdb:ZrN-04Ma.tdb:N2GAS, tdb:ZrN-17Sri.tdb:N2GAS

TDB models of N2GAS (2): PHASE and CONSTITUENT statements as written

ZrN-04Ma.tdb: N2GAS, type code %, sha256 8443e7ae10cd938f…

45: PHASE N2GAS % 1 1 !
46: CONST N2GAS : N2 : !

ZrN-17Sri.tdb: N2GAS, type code %, sha256 db8a7c91478b8f7f…

49: PHASE N2GAS % 1 1 !
50: CONST N2GAS : N2 : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2016.12.003 S. Sridar, R. Kumar, K.C. Hari Kumar, Calphad, 56, 102-107(2017).
assessment that models this phase
doi:10.1016/j.jallcom.2003.10.051 Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004).
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}
}