Nd–Ni phases

15 phases (tier A 9, tier C 4, liquid 1, needs_review 1); 14 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–Ni system page · Markdown · field reference

Phases of the Nd–Ni system (15)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:nd-ni:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 1128–1293.04 K, x(Ni) 0–0.0001	10	4
DHCP phase:nd-ni:dhcp-a3	alpha-La · A3' · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1128.04 K, x(Ni) 0–9e-05	11	4
FCC_A1 phase:nd-ni:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–2499.94 K, x(Ni) 0.99956–1	5	4
HCP_A3 phase:nd-ni:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
LIQUID phase:nd-ni:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 800.56–2500 K, x(Ni) 0–1	85	4
ND2NI17 phase:nd-ni:nd2ni17	Ni17Th2 · hP38 · P6_3/mmc (194)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 1519.7–1572.74 K, x(Ni) 0.89474–0.89474	7	4
ND2NI7 phase:nd-ni:nd2ni7		needs_review	stable in 3 of 3 calculated diagram(s): 300–1466.2 K, x(Ni) 0.77778–0.77778	0	3
ND2NI7_HT phase:nd-ni:nd2ni7-ht	Ce2Ni7 · hP36 · P6_3/mmc (194)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 1444.36–1464.6 K, x(Ni) 0.77778–0.77778	5	1
ND2NI7_LT phase:nd-ni:nd2ni7-lt	Co7Gd2 · hR18 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1444.36 K, x(Ni) 0.77778–0.77778	7	1
ND3NI_D011 phase:nd-ni:nd3ni-d011	Fe3C · D0_11 · oP16 · Pnma (62)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–892.72 K, x(Ni) 0.25–0.25	33	4
ND7NI3_D102 phase:nd-ni:nd7ni3-d102	Fe3Th7 · D10_2 · hP20 · P6_3mc (186)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–873.81 K, x(Ni) 0.3–0.3	22	4
NDNI_B33 phase:nd-ni:ndni-b33	CrB · B33 · oC8 · Cmcm (63)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1096.8 K, x(Ni) 0.5–0.5	25	4
NDNI2_C15 phase:nd-ni:ndni2-c15	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1236.86 K, x(Ni) 0.66667–0.66667	6	4
NDNI3 phase:nd-ni:ndni3	Ni3Pu · hR12 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–1341.3 K, x(Ni) 0.75–0.75	6	4
NDNI5_D2D phase:nd-ni:ndni5-d2d	CaCu5 · D2_d · hP6 · P6/mmm (191)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1689.66 K, x(Ni) 0.83333–0.83333	12	4

BCC_A2 (Nd–Ni)

Id: phase:nd-ni: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 4 of 4 calculated diagram(s): 1128–1293.04 K, x(Ni) 0–0.0001
Literature: 10 values (10 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:nd-ni:bcc-a2
paper: paper:10.1007/s10853-022-08039-1:bcc(Nd), paper:10.1016/j.jallcom.2005.02.037:bcc (Nd)
tdb: tdb:NdNi-05Hua.tdb:BCC_A2, tdb:NdNi-15Luo.tdb:BCC_A2, tdb:NdNi-23Ye.tdb:BCC_A2, tdb:NdNi-96Du.tdb:BCC_A2

TDB models of BCC_A2 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: BCC_A2, type code %B, sha256 75472194c597523e…

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

NdNi-15Luo.tdb: BCC_A2, type code %B, sha256 3f57a2103568896d…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : ND% NI : VA : !

NdNi-23Ye.tdb: BCC_A2, type code %B, sha256 14b046601bb540bc…

32: PHASE BCC_A2 %B 2 1 3 !
33: CONST BCC_A2 : ND% NI : VA : !

NdNi-96Du.tdb: BCC_A2, type code %B, sha256 40296ac12169d5af…

39: PHASE BCC_A2 %B 2 1 3 !
40: CONST BCC_A2 : ND% NI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

DHCP (Nd–Ni)

Id: phase:nd-ni: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 4 of 4 calculated diagram(s): 300–1128.04 K, x(Ni) 0–9e-05
Literature: 11 values (11 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:nd-ni:dhcp-a3, corpus:phase:nd-ni:dhcp
paper: paper:10.1007/s10853-022-08039-1:dhcp(Nd), paper:10.1016/j.jallcom.2005.02.037:dhcp (Nd)
tdb: tdb:NdNi-05Hua.tdb:DHCP, tdb:NdNi-15Luo.tdb:DHCP, tdb:NdNi-23Ye.tdb:DHCP, tdb:NdNi-96Du.tdb:DHCP

TDB models of DHCP (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: DHCP, type code %, sha256 75472194c597523e…

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

NdNi-15Luo.tdb: DHCP, type code %, sha256 3f57a2103568896d…

48: PHASE DHCP % 1 1 !
49: CONST DHCP : ND% NI : !

NdNi-23Ye.tdb: DHCP, type code %, sha256 14b046601bb540bc…

42: PHASE DHCP % 1 1 !
43: CONST DHCP : ND% NI : !

NdNi-96Du.tdb: DHCP, type code %, sha256 40296ac12169d5af…

49: PHASE DHCP % 1 1 !
50: CONST DHCP : ND% NI : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

FCC_A1 (Nd–Ni)

Id: phase:nd-ni: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 4 of 4 calculated diagram(s): 300–2499.94 K, x(Ni) 0.99956–1
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:nd-ni:fcc-a1
paper: paper:10.1016/j.jallcom.2005.02.037:fcc (Ni)
tdb: tdb:NdNi-05Hua.tdb:FCC_A1, tdb:NdNi-15Luo.tdb:FCC_A1, tdb:NdNi-23Ye.tdb:FCC_A1, tdb:NdNi-96Du.tdb:FCC_A1

TDB models of FCC_A1 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: FCC_A1, type code %A, sha256 75472194c597523e…

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

NdNi-15Luo.tdb: FCC_A1, type code %A, sha256 3f57a2103568896d…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : ND NI% : VA : !

NdNi-23Ye.tdb: FCC_A1, type code %A, sha256 14b046601bb540bc…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : ND NI% : VA : !

NdNi-96Du.tdb: FCC_A1, type code %A, sha256 40296ac12169d5af…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : ND NI% : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

HCP_A3 (Nd–Ni)

Id: phase:nd-ni: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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:nd-ni:hcp-a3
tdb: tdb:NdNi-05Hua.tdb:HCP_A3, tdb:NdNi-15Luo.tdb:HCP_A3, tdb:NdNi-23Ye.tdb:HCP_A3, tdb:NdNi-96Du.tdb:HCP_A3

TDB models of HCP_A3 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: HCP_A3, type code %A, sha256 75472194c597523e…

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

NdNi-15Luo.tdb: HCP_A3, type code %A, sha256 3f57a2103568896d…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : ND NI : VA : !

NdNi-23Ye.tdb: HCP_A3, type code %A, sha256 14b046601bb540bc…

37: PHASE HCP_A3 %A 2 1 0.5 !
38: CONST HCP_A3 : ND NI : VA : !

NdNi-96Du.tdb: HCP_A3, type code %A, sha256 40296ac12169d5af…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : ND NI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

LIQUID (Nd–Ni)

Id: phase:nd-ni:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 800.56–2500 K, x(Ni) 0–1
Literature: 85 values (85 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:nd-ni:liquid
paper: paper:10.1007/s10853-022-08039-1:L, paper:10.1016/j.jallcom.2005.02.037:Liquid
tdb: tdb:NdNi-05Hua.tdb:LIQUID, tdb:NdNi-15Luo.tdb:LIQUID, tdb:NdNi-23Ye.tdb:LIQUID, tdb:NdNi-96Du.tdb:LIQUID

TDB models of LIQUID (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: LIQUID, type code %, sha256 75472194c597523e…

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

NdNi-15Luo.tdb: LIQUID, type code %, sha256 3f57a2103568896d…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : ND NI : !

NdNi-23Ye.tdb: LIQUID, type code %, sha256 14b046601bb540bc…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : ND NI : !

NdNi-96Du.tdb: LIQUID, type code %, sha256 40296ac12169d5af…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : ND NI : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

ND2NI17 (Nd–Ni)

Id: phase:nd-ni:nd2ni17; status assigned
Structure: Ni17Th2 · hP38 · P6_3/mmc (194); type st:ni17th2-hp38; 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: Nd 0.1053, Ni 0.8947
Stability: stable in 4 of 4 calculated diagram(s): 1519.7–1572.74 K, x(Ni) 0.89474–0.89474
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:nd-ni:nd2ni17
paper: paper:10.1016/j.jallcom.2005.02.037:Nd2Ni17
tdb: tdb:NdNi-05Hua.tdb:ND2NI17, tdb:NdNi-15Luo.tdb:ND2NI17, tdb:NdNi-23Ye.tdb:ND2NI17, tdb:NdNi-96Du.tdb:ND2NI17

TDB models of ND2NI17 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: ND2NI17, type code %, sha256 75472194c597523e…

85: PHASE ND2NI17 % 2 2 17 !
86: CONST ND2NI17 : ND : NI : !

NdNi-15Luo.tdb: ND2NI17, type code %, sha256 3f57a2103568896d…

88: PHASE ND2NI17 % 2 2 17 !
89: CONST ND2NI17 : ND : NI : !

NdNi-23Ye.tdb: ND2NI17, type code %, sha256 14b046601bb540bc…

82: PHASE ND2NI17 % 2 2 17 !
83: CONST ND2NI17 : ND : NI : !

NdNi-96Du.tdb: ND2NI17, type code %, sha256 40296ac12169d5af…

89: PHASE ND2NI17 % 2 2 17 !
90: CONST ND2NI17 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

ND2NI7 (Nd–Ni)

Id: phase:nd-ni:nd2ni7; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_rows_disagree
Candidate (dft_oqmd): P63/mmc (194) — on-hull OQMD Nd2 Ni7 at x(NI)=0.7778
Candidate (sgte_mmc2): Ce2Ni7 · hP36 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for ND2NI7: Nd2Ni7 (high T), see also Co7Gd2
Candidate (sgte_mmc2): Co7Gd2 · hR18 · R-3m (166) — Hallstedt 2025 mmc2 row for ND2NI7: Nd2Ni7 (low T), see also Ce2Ni7
Candidate (tdb_comment): Ce2Ni7 · hP36 · P6_3/mmc — NdNi-15Luo.tdb: 'Prototype Ce2Ni7 (hP36, P6_3/mmc) and Co7Gd2 (hR18, R-3m)'
Candidate (tdb_comment): Ce2Ni7 · hP36 · P6_3/mmc — NdNi-23Ye.tdb: 'Prototype Ce2Ni7 (hP36, P6_3/mmc) and Co7Gd2 (hR18, R-3m)'
Candidate (tdb_comment): Ce2Ni7 · hP36 · P6_3/mmc — NdNi-96Du.tdb: 'Prototype Ce2Ni7 (hP36, P6_3/mmc) and Co7Gd2 (hR18, R-3m)'
Stoichiometry: Nd 0.2222, Ni 0.7778
Stability: stable in 3 of 3 calculated diagram(s): 300–1466.2 K, x(Ni) 0.77778–0.77778
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:nd-ni:nd2ni7
tdb: tdb:NdNi-15Luo.tdb:ND2NI7, tdb:NdNi-23Ye.tdb:ND2NI7, tdb:NdNi-96Du.tdb:ND2NI7

TDB models of ND2NI7 (3): PHASE and CONSTITUENT statements as written

NdNi-15Luo.tdb: ND2NI7, type code %, sha256 3f57a2103568896d…

78: PHASE ND2NI7 % 2 2 7 !
79: CONST ND2NI7 : ND : NI : !

NdNi-23Ye.tdb: ND2NI7, type code %, sha256 14b046601bb540bc…

72: PHASE ND2NI7 % 2 2 7 !
73: CONST ND2NI7 : ND : NI : !

NdNi-96Du.tdb: ND2NI7, type code %, sha256 40296ac12169d5af…

79: PHASE ND2NI7 % 2 2 7 !
80: CONST ND2NI7 : ND : NI : !

Example references (3 of 3; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

ND2NI7_HT (Nd–Ni)

Id: phase:nd-ni:nd2ni7-ht; status assigned
Structure: Ce2Ni7 · hP36 · P6_3/mmc (194); type st:ce2ni7-hp36; 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_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Nd 0.2222, Ni 0.7778
Stability: stable in 1 of 1 calculated diagram(s): 1444.36–1464.6 K, x(Ni) 0.77778–0.77778
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nd-ni:nd2ni7-ht
paper: paper:10.1016/j.jallcom.2005.02.037:βNd2Ni7
tdb: tdb:NdNi-05Hua.tdb:ND2NI7_HT

TDB models of ND2NI7_HT (1): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: ND2NI7_HT, type code %, sha256 75472194c597523e…

75: PHASE ND2NI7_HT % 2 2 7 !
76: CONST ND2NI7_HT : ND : NI : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase

ND2NI7_LT (Nd–Ni)

Id: phase:nd-ni:nd2ni7-lt; status assigned
Structure: Co7Gd2 · hR18 · R-3m (166); type st:co7gd2-hr18; 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_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Nd 0.2222, Ni 0.7778
Stability: stable in 1 of 1 calculated diagram(s): 300–1444.36 K, x(Ni) 0.77778–0.77778
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:nd-ni:nd2ni7-lt
paper: paper:10.1016/j.jallcom.2005.02.037:αNd2Ni7
tdb: tdb:NdNi-05Hua.tdb:ND2NI7_LT

TDB models of ND2NI7_LT (1): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: ND2NI7_LT, type code %, sha256 75472194c597523e…

70: PHASE ND2NI7_LT % 2 2 7 !
71: CONST ND2NI7_LT : ND : NI : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase

ND3NI_D011 (Nd–Ni)

Id: phase:nd-ni:nd3ni-d011; status assigned
Structure: Fe3C · D0_11 · oP16 · Pnma (62); type st:d0-11-fe3c-op16; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacppsa and oqmd-30793, space group 62
Stoichiometry: Nd 0.7500, Ni 0.2500
Stability: stable in 4 of 4 calculated diagram(s): 300–892.72 K, x(Ni) 0.25–0.25
Literature: 33 values (33 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:nd-ni:nd3ni-d011
mp: mp:mp-aaacppsa
oqmd: oqmd:oqmd-30793
paper: paper:10.1007/s10853-022-08039-1:Nd3Ni, paper:10.1016/j.jallcom.2005.02.037:Nd3Ni
tdb: tdb:NdNi-05Hua.tdb:ND3NI_D011, tdb:NdNi-15Luo.tdb:ND3NI_D011, tdb:NdNi-23Ye.tdb:ND3NI_D011, tdb:NdNi-96Du.tdb:ND3NI_D011

TDB models of ND3NI_D011 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: ND3NI_D011, type code %, sha256 75472194c597523e…

45: PHASE ND3NI_D011 % 2 3 1 !
46: CONST ND3NI_D011 : ND : NI : !

NdNi-15Luo.tdb: ND3NI_D011, type code %, sha256 3f57a2103568896d…

53: PHASE ND3NI_D011 % 2 3 1 !
54: CONST ND3NI_D011 : ND : NI : !

NdNi-23Ye.tdb: ND3NI_D011, type code %, sha256 14b046601bb540bc…

47: PHASE ND3NI_D011 % 2 3 1 !
48: CONST ND3NI_D011 : ND : NI : !

NdNi-96Du.tdb: ND3NI_D011, type code %, sha256 40296ac12169d5af…

54: PHASE ND3NI_D011 % 2 3 1 !
55: CONST ND3NI_D011 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

ND7NI3_D102 (Nd–Ni)

Id: phase:nd-ni:nd7ni3-d102; status assigned
Structure: Fe3Th7 · D10_2 · hP20 · P6_3mc (186); type st:d10-2-fe3th7-hp20; tier A: standard phase name; confidence high
Stoichiometry: Nd 0.7000, Ni 0.3000
Stability: stable in 4 of 4 calculated diagram(s): 300–873.81 K, x(Ni) 0.3–0.3
Literature: 22 values (22 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:nd-ni:nd7ni3-d102
paper: paper:10.1007/s10853-022-08039-1:Nd7Ni3, paper:10.1016/j.jallcom.2005.02.037:Nd7Ni3
tdb: tdb:NdNi-05Hua.tdb:ND7NI3_D102, tdb:NdNi-15Luo.tdb:ND7NI3_D102, tdb:NdNi-23Ye.tdb:ND7NI3_D102, tdb:NdNi-96Du.tdb:ND7NI3_D102

TDB models of ND7NI3_D102 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: ND7NI3_D102, type code %, sha256 75472194c597523e…

50: PHASE ND7NI3_D102 % 2 7 3 !
51: CONST ND7NI3_D102 : ND : NI : !

NdNi-15Luo.tdb: ND7NI3_D102, type code %, sha256 3f57a2103568896d…

58: PHASE ND7NI3_D102 % 2 7 3 !
59: CONST ND7NI3_D102 : ND : NI : !

NdNi-23Ye.tdb: ND7NI3_D102, type code %, sha256 14b046601bb540bc…

52: PHASE ND7NI3_D102 % 2 7 3 !
53: CONST ND7NI3_D102 : ND : NI : !

NdNi-96Du.tdb: ND7NI3_D102, type code %, sha256 40296ac12169d5af…

59: PHASE ND7NI3_D102 % 2 7 3 !
60: CONST ND7NI3_D102 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

NDNI_B33 (Nd–Ni)

Id: phase:nd-ni:ndni-b33; status assigned
Structure: CrB · B33 · oC8 · Cmcm (63); type st:b33-crb-oc8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacewid and oqmd-30796, space group 63
Stoichiometry: Nd 0.5000, Ni 0.5000
Stability: stable in 4 of 4 calculated diagram(s): 300–1096.8 K, x(Ni) 0.5–0.5
Literature: 25 values (25 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:nd-ni:ndni-b33
mp: mp:mp-aaacewid
oqmd: oqmd:oqmd-30796
paper: paper:10.1007/s10853-022-08039-1:NdNi, paper:10.1016/j.jallcom.2005.02.037:NdNi
tdb: tdb:NdNi-05Hua.tdb:NDNI_B33, tdb:NdNi-15Luo.tdb:NDNI_B33, tdb:NdNi-23Ye.tdb:NDNI_B33, tdb:NdNi-96Du.tdb:NDNI_B33

TDB models of NDNI_B33 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: NDNI_B33, type code %, sha256 75472194c597523e…

55: PHASE NDNI_B33 % 2 1 1 !
56: CONST NDNI_B33 : ND : NI : !

NdNi-15Luo.tdb: NDNI_B33, type code %, sha256 3f57a2103568896d…

63: PHASE NDNI_B33 % 2 1 1 !
64: CONST NDNI_B33 : ND : NI : !

NdNi-23Ye.tdb: NDNI_B33, type code %, sha256 14b046601bb540bc…

57: PHASE NDNI_B33 % 2 1 1 !
58: CONST NDNI_B33 : ND : NI : !

NdNi-96Du.tdb: NDNI_B33, type code %, sha256 40296ac12169d5af…

64: PHASE NDNI_B33 % 2 1 1 !
65: CONST NDNI_B33 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

NDNI2_C15 (Nd–Ni)

Id: phase:nd-ni:ndni2-c15; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Stoichiometry: Nd 0.3333, Ni 0.6667
Stability: stable in 4 of 4 calculated diagram(s): 300–1236.86 K, x(Ni) 0.66667–0.66667
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:nd-ni:ndni2-c15
paper: paper:10.1016/j.jallcom.2005.02.037:NdNi2
tdb: tdb:NdNi-05Hua.tdb:NDNI2_C15, tdb:NdNi-15Luo.tdb:NDNI2_C15, tdb:NdNi-23Ye.tdb:NDNI2_C15, tdb:NdNi-96Du.tdb:NDNI2_C15

TDB models of NDNI2_C15 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: NDNI2_C15, type code %, sha256 75472194c597523e…

60: PHASE NDNI2_C15 % 2 1 2 !
61: CONST NDNI2_C15 : ND : NI : !

NdNi-15Luo.tdb: NDNI2_C15, type code %, sha256 3f57a2103568896d…

68: PHASE NDNI2_C15 % 2 1 2 !
69: CONST NDNI2_C15 : ND : NI : !

NdNi-23Ye.tdb: NDNI2_C15, type code %, sha256 14b046601bb540bc…

62: PHASE NDNI2_C15 % 2 1 2 !
63: CONST NDNI2_C15 : ND : NI : !

NdNi-96Du.tdb: NDNI2_C15, type code %, sha256 40296ac12169d5af…

69: PHASE NDNI2_C15 % 2 1 2 !
70: CONST NDNI2_C15 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

NDNI3 (Nd–Ni)

Id: phase:nd-ni:ndni3; status assigned
Structure: Ni3Pu · hR12 · R-3m (166); type st:ni3pu-hr12; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Nd 0.2500, Ni 0.7500
Stability: stable in 4 of 4 calculated diagram(s): 300–1341.3 K, x(Ni) 0.75–0.75
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:nd-ni:ndni3
paper: paper:10.1016/j.jallcom.2005.02.037:NdNi3
tdb: tdb:NdNi-05Hua.tdb:NDNI3, tdb:NdNi-15Luo.tdb:NDNI3, tdb:NdNi-23Ye.tdb:NDNI3, tdb:NdNi-96Du.tdb:NDNI3

TDB models of NDNI3 (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: NDNI3, type code %, sha256 75472194c597523e…

65: PHASE NDNI3 % 2 1 3 !
66: CONST NDNI3 : ND : NI : !

NdNi-15Luo.tdb: NDNI3, type code %, sha256 3f57a2103568896d…

73: PHASE NDNI3 % 2 1 3 !
74: CONST NDNI3 : ND : NI : !

NdNi-23Ye.tdb: NDNI3, type code %, sha256 14b046601bb540bc…

67: PHASE NDNI3 % 2 1 3 !
68: CONST NDNI3 : ND : NI : !

NdNi-96Du.tdb: NDNI3, type code %, sha256 40296ac12169d5af…

74: PHASE NDNI3 % 2 1 3 !
75: CONST NDNI3 : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
assessment that models this phase

NDNI5_D2D (Nd–Ni)

Id: phase:nd-ni:ndni5-d2d; status assigned
Structure: CaCu5 · D2_d · hP6 · P6/mmm (191); type st:d2-d-cacu5-hp6; tier A: standard phase name; confidence high
Stoichiometry: Nd 0.1667, Ni 0.8333
Stability: stable in 4 of 4 calculated diagram(s): 300–1689.66 K, x(Ni) 0.83333–0.83333
Literature: 12 values (12 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:nd-ni:ndni5-d2d
paper: paper:10.1016/j.jallcom.2005.02.037:NdNi5
tdb: tdb:NdNi-05Hua.tdb:NDNI5_D2D, tdb:NdNi-15Luo.tdb:NDNI5_D2D, tdb:NdNi-23Ye.tdb:NDNI5_D2D, tdb:NdNi-96Du.tdb:NDNI5_D2D

TDB models of NDNI5_D2D (4): PHASE and CONSTITUENT statements as written

NdNi-05Hua.tdb: NDNI5_D2D, type code %, sha256 75472194c597523e…

80: PHASE NDNI5_D2D % 2 1 5 !
81: CONST NDNI5_D2D : ND : NI : !

NdNi-15Luo.tdb: NDNI5_D2D, type code %, sha256 3f57a2103568896d…

83: PHASE NDNI5_D2D % 2 1 5 !
84: CONST NDNI5_D2D : ND : NI : !

NdNi-23Ye.tdb: NDNI5_D2D, type code %, sha256 14b046601bb540bc…

77: PHASE NDNI5_D2D % 2 1 5 !
78: CONST NDNI5_D2D : ND : NI : !

NdNi-96Du.tdb: NDNI5_D2D, type code %, sha256 40296ac12169d5af…

84: PHASE NDNI5_D2D % 2 1 5 !
85: CONST NDNI5_D2D : ND : NI : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2005.02.037 Mianliang Huang, R. William McCallum, Thomas A. Lograsso, Experimental investigation and thermodynamic modeling of the Nd–Ni system, Journal of Alloys and Compounds 398, 127-132 (2005).
assessment that models this phase; reports values for this phase
doi:10.1007/s10853-022-08039-1 Hongjian Ye, Maohua Rong, Qingrong Yao, Qing Chen, Jiang Wang, Guanghui Rao et al., Phase equilibria and thermodynamic properties in the RE-Ni (RE = rare earth metals) binary systems, J Mater Sci 58, 1260-1292 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2015.10.009 Parameters for the Ni-rich intermetallic phases slightly modified from 05Hua.
assessment that models this phase
doi:10.1016/S0364-5916(96)00031-4 Y. Du, N. Clavaguera, Calphad, 20, 289-96(1996).
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}
}