Fe–Nd phases

7 phases (tier A 4, tier C 2, liquid 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 · Fe–Nd system page · Markdown · field reference

Phases of the Fe–Nd system (7)
Phase	Structure	Basis	Stability (calculated)	TDB models
BCC_A2 phase:fe-nd:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–2498.99 K, x(Nd) 0–1	3
DHCP phase:fe-nd:dhcp-a3	alpha-La · A3' · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–1283 K, x(Nd) 0.99589–1	3
FCC_A1 phase:fe-nd:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 1132.83–1670.86 K, x(Nd) 0–0.01579	3
FE17ND2 phase:fe-nd:fe17nd2	Th2Zn17 · hR19 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–1490 K, x(Nd) 0.10526–0.10526	3
FE17ND5 phase:fe-nd:fe17nd5	Fe17Nd5 · hP264 · P6_3/mcm (193)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–1071.03 K, x(Nd) 0.22727–0.22727	3
HCP_A3 phase:fe-nd:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 3 calculated diagram(s)	3
LIQUID phase:fe-nd:liquid	liquid	liquid	stable in 3 of 3 calculated diagram(s): 952.68–2500 K, x(Nd) 0–1	3

BCC_A2 (Fe–Nd)

Id: phase:fe-nd: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 3 of 3 calculated diagram(s): 300–2498.99 K, x(Nd) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:bcc-a2
tdb: tdb:FeNd-16Che.tdb:BCC_A2, tdb:FeNd-16Wan.tdb:BCC_A2, tdb:FeNd-95Hal-LB.tdb:BCC_A2

TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: BCC_A2, type code %B, sha256 e50d3fee1b48c398…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : FE% ND% : VA : !

FeNd-16Wan.tdb: BCC_A2, type code %B, sha256 fa02ac1db21fdc42…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : FE% ND% : VA : !

FeNd-95Hal-LB.tdb: BCC_A2, type code %B, sha256 ab4a9e90b16a414a…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : FE% ND% : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

DHCP (Fe–Nd)

Id: phase:fe-nd: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 3 of 3 calculated diagram(s): 300–1283 K, x(Nd) 0.99589–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:dhcp-a3
tdb: tdb:FeNd-16Che.tdb:DHCP, tdb:FeNd-16Wan.tdb:DHCP, tdb:FeNd-95Hal-LB.tdb:DHCP

TDB models of DHCP (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: DHCP, type code %, sha256 e50d3fee1b48c398…

45: PHASE DHCP % 1 1 !
46: CONST DHCP : ND : !

FeNd-16Wan.tdb: DHCP, type code %, sha256 fa02ac1db21fdc42…

45: PHASE DHCP % 1 1 !
46: CONST DHCP : FE ND% : !

FeNd-95Hal-LB.tdb: DHCP, type code %, sha256 ab4a9e90b16a414a…

40: PHASE DHCP % 1 1 !
41: CONST DHCP : ND : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

FCC_A1 (Fe–Nd)

Id: phase:fe-nd: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 3 of 3 calculated diagram(s): 1132.83–1670.86 K, x(Nd) 0–0.01579
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:fcc-a1
tdb: tdb:FeNd-16Che.tdb:FCC_A1, tdb:FeNd-16Wan.tdb:FCC_A1, tdb:FeNd-95Hal-LB.tdb:FCC_A1

TDB models of FCC_A1 (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: FCC_A1, type code %A, sha256 e50d3fee1b48c398…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : FE% ND : VA : !

FeNd-16Wan.tdb: FCC_A1, type code %A, sha256 fa02ac1db21fdc42…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : FE% ND : VA : !

FeNd-95Hal-LB.tdb: FCC_A1, type code %A, sha256 ab4a9e90b16a414a…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : FE% ND : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

FE17ND2 (Fe–Nd)

Id: phase:fe-nd:fe17nd2; status assigned
Structure: Th2Zn17 · hR19 · R-3m (166); type st:th2zn17-hr19; 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: Fe 0.8947, Nd 0.1053
Stability: stable in 3 of 3 calculated diagram(s): 300–1490 K, x(Nd) 0.10526–0.10526
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:fe17nd2
tdb: tdb:FeNd-16Che.tdb:FE17ND2, tdb:FeNd-16Wan.tdb:FE17ND2, tdb:FeNd-95Hal-LB.tdb:FE17ND2

TDB models of FE17ND2 (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: FE17ND2, type code %A, sha256 e50d3fee1b48c398…

50: PHASE FE17ND2 %A 2 17 2 !
51: CONST FE17ND2 : FE : ND : !

FeNd-16Wan.tdb: FE17ND2, type code %A, sha256 fa02ac1db21fdc42…

50: PHASE FE17ND2 %A 2 17 2 !
51: CONST FE17ND2 : FE : ND : !

FeNd-95Hal-LB.tdb: FE17ND2, type code %A, sha256 ab4a9e90b16a414a…

45: PHASE FE17ND2 %A 2 17 2 !
46: CONST FE17ND2 : FE : ND : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

FE17ND5 (Fe–Nd)

Id: phase:fe-nd:fe17nd5; status assigned
Structure: Fe17Nd5 · hP264 · P6_3/mcm (193); type st:fe17nd5-hp264; 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: Fe 0.7727, Nd 0.2273
Stability: stable in 3 of 3 calculated diagram(s): 300–1071.03 K, x(Nd) 0.22727–0.22727
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:fe17nd5
tdb: tdb:FeNd-16Che.tdb:FE17ND5, tdb:FeNd-16Wan.tdb:FE17ND5, tdb:FeNd-95Hal-LB.tdb:FE17ND5

TDB models of FE17ND5 (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: FE17ND5, type code %A, sha256 e50d3fee1b48c398…

55: PHASE FE17ND5 %A 2 17 5 !
56: CONST FE17ND5 : FE : ND : !

FeNd-16Wan.tdb: FE17ND5, type code %A, sha256 fa02ac1db21fdc42…

55: PHASE FE17ND5 %A 2 17 5 !
56: CONST FE17ND5 : FE : ND : !

FeNd-95Hal-LB.tdb: FE17ND5, type code %A, sha256 ab4a9e90b16a414a…

50: PHASE FE17ND5 %A 2 17 5 !
51: CONST FE17ND5 : FE : ND : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

HCP_A3 (Fe–Nd)

Id: phase:fe-nd: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: not stable in 3 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:hcp-a3
tdb: tdb:FeNd-16Che.tdb:HCP_A3, tdb:FeNd-16Wan.tdb:HCP_A3, tdb:FeNd-95Hal-LB.tdb:HCP_A3

TDB models of HCP_A3 (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: HCP_A3, type code %A, sha256 e50d3fee1b48c398…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : FE ND : VA : !

FeNd-16Wan.tdb: HCP_A3, type code %A, sha256 fa02ac1db21fdc42…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : FE ND : VA : !

FeNd-95Hal-LB.tdb: HCP_A3, type code %A, sha256 ab4a9e90b16a414a…

35: PHASE HCP_A3 %A 2 1 0.5 !
36: CONST HCP_A3 : FE ND : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
assessment that models this phase

LIQUID (Fe–Nd)

Id: phase:fe-nd:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 3 of 3 calculated diagram(s): 952.68–2500 K, x(Nd) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-nd:liquid
tdb: tdb:FeNd-16Che.tdb:LIQUID, tdb:FeNd-16Wan.tdb:LIQUID, tdb:FeNd-95Hal-LB.tdb:LIQUID

TDB models of LIQUID (3): PHASE and CONSTITUENT statements as written

FeNd-16Che.tdb: LIQUID, type code %, sha256 e50d3fee1b48c398…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : FE ND : !

FeNd-16Wan.tdb: LIQUID, type code %, sha256 fa02ac1db21fdc42…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : FE ND : !

FeNd-95Hal-LB.tdb: LIQUID, type code %, sha256 ab4a9e90b16a414a…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : FE ND : !

Example references (3 of 3; assessments first):

doi:10.1007/BF02664851 B. Hallemans, P. Wollants, J.R. Roos, J. Phase Equilib., 16, 137-49(1995).
assessment that models this phase
doi:10.1016/j.calphad.2016.10.004 T.L. Chen, J. Wang, M.H. Rong, G.H. Rao, H.Y. Zhou, Calphad, 55, 270-80(2016).
assessment that models this phase
doi:10.2320/matertrans.M2015333 W. Wang, T. Liu, H. Song, S. Xue, W. Zhang, H. Zhang, L. Zhang, Y. Jia, N. Wang, X. Cheng, C. Zeng, Mater. Trans. (JIM), 57, 103-11(2016).
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}
}