Nd–Zr phases

5 phases (tier A 4, liquid 1); 5 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 · Nd–Zr system page · Markdown · field reference

Phases of the Nd–Zr system (5)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:nd-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 944–3999.1 K, x(Zr) 0–1	4	2
DHCP phase:nd-zr:dhcp-a3	alpha-La · A3' · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1267.2 K, x(Zr) 0–0.05141	2	2
FCC_A1 phase:nd-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 2 calculated diagram(s): 820–1090 K	0	2
HCP_A3 phase:nd-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1283.99 K, x(Zr) 0.96568–1	2	2
LIQUID phase:nd-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 1258.1–4000 K, x(Zr) 0–1	14	2

BCC_A2 (Nd–Zr)

Id: phase:nd-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): 944–3999.1 K, x(Zr) 0–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nd-zr:bcc-a2
paper: paper:10.1016/j.calphad.2014.02.008:bcc-Nd, paper:10.1016/j.calphad.2014.02.008:bcc-Zr
tdb: tdb:NdZr-14Che.tdb:BCC_A2, tdb:NdZr-14Mat.tdb:BCC_A2

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

NdZr-14Che.tdb: BCC_A2, type code %B, sha256 5b20a92a0ab14f26…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : ND ZR : VA : !

NdZr-14Mat.tdb: BCC_A2, type code %B, sha256 3f1e2816e533b3fb…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : ND ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2014.02.008 N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Zr system, Calphad 46, 103-107 (2014).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-014-2209-1 Kaiming Cheng, Hua Zhou, Biao Hu, Yong Du, Lijun Zhang, Shuhong Liu et al., Experimental Investigation and Thermodynamic Modeling of the Nd-Zr and the Mg-Nd-Zr Systems, Metall Mater Trans A 45, 2708-2718 (2014).
assessment that models this phase

DHCP (Nd–Zr)

Id: phase:nd-zr:dhcp-a3; status assigned
Structure: alpha-La · A3' · hP4 · P6_3/mmc (194); type st:a3-alpha-la-hp4; tier A: standard phase name; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300–1267.2 K, x(Zr) 0–0.05141
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nd-zr:dhcp-a3, corpus:phase:nd-zr:dhcp
paper: paper:10.1016/j.calphad.2014.02.008:dhcp-Nd
tdb: tdb:NdZr-14Che.tdb:DHCP, tdb:NdZr-14Mat.tdb:DHCP

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

NdZr-14Che.tdb: DHCP, type code %, sha256 5b20a92a0ab14f26…

41: PHASE DHCP % 1 1 !
42: CONST DHCP : ND% ZR : !

NdZr-14Mat.tdb: DHCP, type code %, sha256 3f1e2816e533b3fb…

41: PHASE DHCP % 1 1 !
42: CONST DHCP : ND% ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2014.02.008 N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Zr system, Calphad 46, 103-107 (2014).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-014-2209-1 Kaiming Cheng, Hua Zhou, Biao Hu, Yong Du, Lijun Zhang, Shuhong Liu et al., Experimental Investigation and Thermodynamic Modeling of the Nd-Zr and the Mg-Nd-Zr Systems, Metall Mater Trans A 45, 2708-2718 (2014).
assessment that models this phase

FCC_A1 (Nd–Zr)

Id: phase:nd-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 2 calculated diagram(s): 820–1090 K
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nd-zr:fcc-a1
tdb: tdb:NdZr-14Che.tdb:FCC_A1, tdb:NdZr-14Mat.tdb:FCC_A1

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

NdZr-14Che.tdb: FCC_A1, type code %A, sha256 5b20a92a0ab14f26…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : ND ZR : VA : !

NdZr-14Mat.tdb: FCC_A1, type code %A, sha256 3f1e2816e533b3fb…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : ND ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1007/s11661-014-2209-1 Kaiming Cheng, Hua Zhou, Biao Hu, Yong Du, Lijun Zhang, Shuhong Liu et al., Experimental Investigation and Thermodynamic Modeling of the Nd-Zr and the Mg-Nd-Zr Systems, Metall Mater Trans A 45, 2708-2718 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2014.02.008 N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Zr system, Calphad 46, 103-107 (2014).
assessment that models this phase

HCP_A3 (Nd–Zr)

Id: phase:nd-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): 300–1283.99 K, x(Zr) 0.96568–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:nd-zr:hcp-a3
paper: paper:10.1016/j.calphad.2014.02.008:hcp-Zr
tdb: tdb:NdZr-14Che.tdb:HCP_A3, tdb:NdZr-14Mat.tdb:HCP_A3

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

NdZr-14Che.tdb: HCP_A3, type code %A, sha256 5b20a92a0ab14f26…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : ND ZR% : VA : !

NdZr-14Mat.tdb: HCP_A3, type code %A, sha256 3f1e2816e533b3fb…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : ND ZR% : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2014.02.008 N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Zr system, Calphad 46, 103-107 (2014).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-014-2209-1 Kaiming Cheng, Hua Zhou, Biao Hu, Yong Du, Lijun Zhang, Shuhong Liu et al., Experimental Investigation and Thermodynamic Modeling of the Nd-Zr and the Mg-Nd-Zr Systems, Metall Mater Trans A 45, 2708-2718 (2014).
assessment that models this phase

LIQUID (Nd–Zr)

Id: phase:nd-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 1258.1–4000 K, x(Zr) 0–1
Literature: 14 values (14 accepted) from 2 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nd-zr:liquid
paper: paper:10.1007/s11661-014-2209-1:Liquid, paper:10.1016/j.calphad.2014.02.008:L
tdb: tdb:NdZr-14Che.tdb:LIQUID, tdb:NdZr-14Mat.tdb:LIQUID

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

NdZr-14Che.tdb: LIQUID, type code %, sha256 5b20a92a0ab14f26…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : ND ZR : !

NdZr-14Mat.tdb: LIQUID, type code %, sha256 3f1e2816e533b3fb…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : ND ZR : !

Example references (2 of 2; assessments first):

doi:10.1007/s11661-014-2209-1 Kaiming Cheng, Hua Zhou, Biao Hu, Yong Du, Lijun Zhang, Shuhong Liu et al., Experimental Investigation and Thermodynamic Modeling of the Nd-Zr and the Mg-Nd-Zr Systems, Metall Mater Trans A 45, 2708-2718 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2014.02.008 N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Zr system, Calphad 46, 103-107 (2014).
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}
}