Ni–Zr phases

12 phases (tier A 5, tier C 1, liquid 1, needs_review 5); 12 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 · Ni–Zr system page · Markdown · field reference

Phases of the Ni–Zr system (12)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:ni-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 7 of 7 calculated diagram(s): 1091.8–3999.77 K, x(Zr) 0.96585–1	19	7
FCC_A1 phase:ni-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 7 of 7 calculated diagram(s): 300–1769.06 K, x(Zr) 0–0.01266	14	7
HCP_A3 phase:ni-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 7 of 7 calculated diagram(s): 300–2226.8 K, x(Zr) 0.98995–1	8	7
LIQUID phase:ni-zr:liquid	liquid	liquid	stable in 7 of 7 calculated diagram(s): 300–4000 K, x(Zr) 0–1	128	7
NI10ZR7 phase:ni-zr:ni10zr7		needs_review	stable in 7 of 7 calculated diagram(s): 300–1446.61 K, x(Zr) 0.39599–0.425	69	7
NI11ZR9 phase:ni-zr:ni11zr9	Pt11Zr9 · tI40 · I4/m (87)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 7 of 7 calculated diagram(s): 1210–1450 K, x(Zr) 0.45–0.45	61	7
NI21ZR8 phase:ni-zr:ni21zr8		needs_review	stable in 7 of 7 calculated diagram(s): 300–1483.01 K, x(Zr) 0.275–0.27586	67	7
NI3ZR_D019 phase:ni-zr:ni3zr-d019	Ni3Sn · D0_19 · hP8 · P6_3/mmc (194)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1261.09 K, x(Zr) 0.248–0.25	13	5
NI5ZR_C15B phase:ni-zr:ni5zr-c15b		needs_review	stable in 7 of 7 calculated diagram(s): 300–1602.99 K, x(Zr) 0.14044–0.17163	31	7
NI7ZR2 phase:ni-zr:ni7zr2		needs_review	stable in 7 of 7 calculated diagram(s): 300–1723.01 K, x(Zr) 0.22–0.22222	75	7
NIZR_B33 phase:ni-zr:nizr-b33	CrB · B33 · oC8 · Cmcm (63)	tier A: standard phase name	stable in 7 of 7 calculated diagram(s): 300–1542.7 K, x(Zr) 0.5–0.5	62	7
NIZR2_C16 phase:ni-zr:nizr2-c16		needs_review	stable in 7 of 7 calculated diagram(s): 300–1402.37 K, x(Zr) 0.66667–0.667	59	7

BCC_A2 (Ni–Zr)

Id: phase:ni-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 7 of 7 calculated diagram(s): 1091.8–3999.77 K, x(Zr) 0.96585–1
Literature: 19 values (19 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:bcc-a2
paper: paper:10.1016/j.calphad.2007.07.001:(βZr), paper:10.1016/j.calphad.2011.10.003:bcc - Zr, paper:10.1016/j.intermet.2019.106640:(βZr)
tdb: tdb:NiZr-05Abe.tdb:BCC_A2, tdb:NiZr-07Tok.tdb:BCC_A2, tdb:NiZr-07Wan.tdb:BCC_A2, tdb:NiZr-11Cac.tdb:BCC_A2, tdb:NiZr-20Jan.tdb:BCC_A2, tdb:NiZr-85Sau.tdb:BCC_A2, tdb:NiZr-94Gho-LB.tdb:BCC_A2

TDB models of BCC_A2 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: BCC_A2, type code %B, sha256 cc5697c14739db04…

47: PHASE BCC_A2 %B 2 1 3 !
48: CONST BCC_A2 : NI ZR% : VA : !

NiZr-07Tok.tdb: BCC_A2, type code %B, sha256 01abdeb1f65b763c…

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

NiZr-07Wan.tdb: BCC_A2, type code %B, sha256 6053b2b0640d1c27…

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

NiZr-11Cac.tdb: BCC_A2, type code %B, sha256 ef2178351f0f844e…

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

NiZr-20Jan.tdb: BCC_A2, type code %B, sha256 bc80ea0218a30fd0…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : NI ZR% : VA : !

NiZr-85Sau.tdb: BCC_A2, type code %B, sha256 5171ebe11b8dd706…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : NI ZR% : VA : !

NiZr-94Gho-LB.tdb: BCC_A2, type code %B, sha256 fd526703b674f014…

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

Example references (9 of 9; assessments first):

doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase
doi:10.1063/1.109404 K. Ohsaka, E. H. Trinh, J. C. Holzer, W. L. Johnson, Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy, Applied Physics Letters 62, 2319-2321 (1993).
cited as the source of values for this phase

FCC_A1 (Ni–Zr)

Id: phase:ni-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 7 of 7 calculated diagram(s): 300–1769.06 K, x(Zr) 0–0.01266
Literature: 14 values (14 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:fcc-a1
paper: paper:10.1016/j.calphad.2007.07.001:(Ni), paper:10.1016/j.calphad.2011.10.003:Ni, paper:10.1016/j.intermet.2019.106640:(Ni)
tdb: tdb:NiZr-05Abe.tdb:FCC_A1, tdb:NiZr-07Tok.tdb:FCC_A1, tdb:NiZr-07Wan.tdb:FCC_A1, tdb:NiZr-11Cac.tdb:FCC_A1, tdb:NiZr-20Jan.tdb:FCC_A1, tdb:NiZr-85Sau.tdb:FCC_A1, tdb:NiZr-94Gho-LB.tdb:FCC_A1

TDB models of FCC_A1 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: FCC_A1, type code %A, sha256 cc5697c14739db04…

42: PHASE FCC_A1 %A 2 1 1 !
43: CONST FCC_A1 : NI% ZR : VA : !

NiZr-07Tok.tdb: FCC_A1, type code %A, sha256 01abdeb1f65b763c…

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

NiZr-07Wan.tdb: FCC_A1, type code %A, sha256 6053b2b0640d1c27…

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

NiZr-11Cac.tdb: FCC_A1, type code %A, sha256 ef2178351f0f844e…

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

NiZr-20Jan.tdb: FCC_A1, type code %A, sha256 bc80ea0218a30fd0…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : NI% ZR : VA : !

NiZr-85Sau.tdb: FCC_A1, type code %A, sha256 5171ebe11b8dd706…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : NI% ZR : VA : !

NiZr-94Gho-LB.tdb: FCC_A1, type code %A, sha256 fd526703b674f014…

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

Example references (8 of 8; assessments first):

doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase

HCP_A3 (Ni–Zr)

Id: phase:ni-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 7 of 7 calculated diagram(s): 300–2226.8 K, x(Zr) 0.98995–1
Literature: 8 values (8 accepted) from 2 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:ni-zr:hcp-a3
paper: paper:10.1016/j.calphad.2007.07.001:(αZr), paper:10.1016/j.intermet.2019.106640:(αZr)
tdb: tdb:NiZr-05Abe.tdb:HCP_A3, tdb:NiZr-07Tok.tdb:HCP_A3, tdb:NiZr-07Wan.tdb:HCP_A3, tdb:NiZr-11Cac.tdb:HCP_A3, tdb:NiZr-20Jan.tdb:HCP_A3, tdb:NiZr-85Sau.tdb:HCP_A3, tdb:NiZr-94Gho-LB.tdb:HCP_A3

TDB models of HCP_A3 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: HCP_A3, type code %A, sha256 cc5697c14739db04…

52: PHASE HCP_A3 %A 2 1 0.5 !
53: CONST HCP_A3 : NI ZR% : VA : !

NiZr-07Tok.tdb: HCP_A3, type code %A, sha256 01abdeb1f65b763c…

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

NiZr-07Wan.tdb: HCP_A3, type code %A, sha256 6053b2b0640d1c27…

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

NiZr-11Cac.tdb: HCP_A3, type code %A, sha256 ef2178351f0f844e…

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

NiZr-20Jan.tdb: HCP_A3, type code %A, sha256 bc80ea0218a30fd0…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : NI ZR% : VA : !

NiZr-85Sau.tdb: HCP_A3, type code %A, sha256 5171ebe11b8dd706…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : NI ZR% : VA : !

NiZr-94Gho-LB.tdb: HCP_A3, type code %A, sha256 fd526703b674f014…

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

Example references (8 of 8; assessments first):

doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase

LIQUID (Ni–Zr)

Id: phase:ni-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 7 of 7 calculated diagram(s): 300–4000 K, x(Zr) 0–1
Literature: 128 values (128 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:liquid
paper: paper:10.1016/j.calphad.2007.07.001:L, paper:10.1016/j.calphad.2011.10.003:L, paper:10.1016/j.intermet.2019.106640:L
tdb: tdb:NiZr-05Abe.tdb:LIQUID, tdb:NiZr-07Tok.tdb:LIQUID, tdb:NiZr-07Wan.tdb:LIQUID, tdb:NiZr-11Cac.tdb:LIQUID, tdb:NiZr-20Jan.tdb:LIQUID, tdb:NiZr-85Sau.tdb:LIQUID, tdb:NiZr-94Gho-LB.tdb:LIQUID

TDB models of LIQUID (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: LIQUID, type code %A, sha256 cc5697c14739db04…

37: PHASE LIQUID:L %A 1 1 !
38: CONST LIQUID:L : NI NI2ZR ZR : !

NiZr-07Tok.tdb: LIQUID, type code %, sha256 01abdeb1f65b763c…

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

NiZr-07Wan.tdb: LIQUID, type code %, sha256 6053b2b0640d1c27…

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

NiZr-11Cac.tdb: LIQUID, type code %, sha256 ef2178351f0f844e…

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

NiZr-20Jan.tdb: LIQUID, type code %, sha256 bc80ea0218a30fd0…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : NI ZR : !

NiZr-85Sau.tdb: LIQUID, type code %, sha256 5171ebe11b8dd706…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : NI ZR : !

NiZr-94Gho-LB.tdb: LIQUID, type code %, sha256 fd526703b674f014…

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

Example references (10 of 10; assessments first):

doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase
doi:10.1016/0022-5088(79)90241-8 Lars Bsenko, The HfNi and ZrNi systems in the region 65 – 80 at.% Ni, Journal of the Less Common Metals 63, 171-179 (1979).
cited as the source of values for this phase
doi:10.1063/1.109404 K. Ohsaka, E. H. Trinh, J. C. Holzer, W. L. Johnson, Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy, Applied Physics Letters 62, 2319-2321 (1993).
cited as the source of values for this phase

NI10ZR7 (Ni–Zr)

Id: phase:ni-zr:ni10zr7; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; no_structure_token; off_stoichiometric_model
Candidate (literature_printed): Ni10Zr7 · oC68 — printed with a label mapped to this phase
Candidate (sgte_mmc2): Ni10Zr7 · oC68 · Cmce (64) — Hallstedt 2025 mmc2 row for NI10ZR7: Ni10Zr7
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-05Abe.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-07Tok.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-07Wan.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-11Cac.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-20Jan.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Candidate (tdb_comment): Ni10Zr7 · oC68 · Cmca — NiZr-85Sau.tdb: 'Prototype Ni10Zr7 (oC68, Cmca)'
Stability: stable in 7 of 7 calculated diagram(s): 300–1446.61 K, x(Zr) 0.39599–0.425
Literature: 69 values (69 accepted) from 3 papers
Interactive: phase registry entry

Names (12): corpus: corpus:phase:ni-zr:ni10zr7
paper: paper:10.1016/j.calphad.2007.07.001:Ni10Zr7, paper:10.1016/j.calphad.2011.10.003:Zr7Ni10, paper:10.1016/j.intermet.2019.106640:Ni10Zr7, paper:10.1016/j.intermet.2019.106640:Ni10Zr7 (Pbca)
tdb: tdb:NiZr-05Abe.tdb:NI10ZR7, tdb:NiZr-07Tok.tdb:NI10ZR7, tdb:NiZr-07Wan.tdb:NI10ZR7, tdb:NiZr-11Cac.tdb:NI10ZR7, tdb:NiZr-20Jan.tdb:NI10ZR7, tdb:NiZr-85Sau.tdb:NI10ZR7, tdb:NiZr-94Gho-LB.tdb:NI10ZR7

TDB models of NI10ZR7 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NI10ZR7, type code %, sha256 cc5697c14739db04…

72: PHASE NI10ZR7 % 2 10 7 !
73: CONST NI10ZR7 : NI : ZR : !

NiZr-07Tok.tdb: NI10ZR7, type code %, sha256 01abdeb1f65b763c…

71: PHASE NI10ZR7 % 2 0.575 0.425 !
72: CONST NI10ZR7 : NI% ZR : VA ZR% : !

NiZr-07Wan.tdb: NI10ZR7, type code %, sha256 6053b2b0640d1c27…

60: PHASE NI10ZR7 % 2 10 7 !
61: CONST NI10ZR7 : NI : ZR : !

NiZr-11Cac.tdb: NI10ZR7, type code %, sha256 ef2178351f0f844e…

69: PHASE NI10ZR7 % 2 10 7 !
70: CONST NI10ZR7 : NI% ZR : VA ZR% : !

NiZr-20Jan.tdb: NI10ZR7, type code %, sha256 bc80ea0218a30fd0…

63: PHASE NI10ZR7 % 2 10 7 !
64: CONST NI10ZR7 : NI : ZR : !

NiZr-85Sau.tdb: NI10ZR7, type code %, sha256 5171ebe11b8dd706…

58: PHASE NI10ZR7 % 2 23 17 !
59: CONST NI10ZR7 : NI : ZR : !

NiZr-94Gho-LB.tdb: NI10ZR7, type code %, sha256 fd526703b674f014…

62: PHASE NI10ZR7 % 2 0.575 0.425 !
63: CONST NI10ZR7 : NI% ZR : VA ZR% : !

Example references (10 of 14; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1107/s0365110x62002339 M. E. Kirkpatrick, J. F. Smith, W. L. Larsen, Structures of the intermediate phases Ni10Zr7and Ni10Hf7, Acta Cryst 15, 894-903 (1962).
cited as the source of values for this phase
doi:10.1016/j.intermet.2014.05.021 Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds, Intermetallics 54, 110-119 (2014).
cited as the source of values for this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase

NI11ZR9 (Ni–Zr)

Id: phase:ni-zr:ni11zr9; status assigned
Structure: Pt11Zr9 · tI40 · I4/m (87); type st:pt11zr9-ti40; 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: Ni 0.5500, Zr 0.4500
Stability: stable in 7 of 7 calculated diagram(s): 1210–1450 K, x(Zr) 0.45–0.45
Literature: 61 values (61 accepted) from 2 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:ni-zr:ni11zr9
paper: paper:10.1016/j.calphad.2007.07.001:Ni11Zr9, paper:10.1016/j.intermet.2019.106640:Ni11Zr9
tdb: tdb:NiZr-05Abe.tdb:NI11ZR9, tdb:NiZr-07Tok.tdb:NI11ZR9, tdb:NiZr-07Wan.tdb:NI11ZR9, tdb:NiZr-11Cac.tdb:NI11ZR9, tdb:NiZr-20Jan.tdb:NI11ZR9, tdb:NiZr-85Sau.tdb:NI11ZR9, tdb:NiZr-94Gho-LB.tdb:NI11ZR9

TDB models of NI11ZR9 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NI11ZR9, type code %, sha256 cc5697c14739db04…

77: PHASE NI11ZR9 % 2 11 9 !
78: CONST NI11ZR9 : NI : ZR : !

NiZr-07Tok.tdb: NI11ZR9, type code %, sha256 01abdeb1f65b763c…

76: PHASE NI11ZR9 % 2 0.55 0.45 !
77: CONST NI11ZR9 : NI : ZR : !

NiZr-07Wan.tdb: NI11ZR9, type code %, sha256 6053b2b0640d1c27…

65: PHASE NI11ZR9 % 2 11 9 !
66: CONST NI11ZR9 : NI : ZR : !

NiZr-11Cac.tdb: NI11ZR9, type code %, sha256 ef2178351f0f844e…

74: PHASE NI11ZR9 % 2 11 9 !
75: CONST NI11ZR9 : NI : ZR : !

NiZr-20Jan.tdb: NI11ZR9, type code %, sha256 bc80ea0218a30fd0…

68: PHASE NI11ZR9 % 2 11 9 !
69: CONST NI11ZR9 : NI : ZR : !

NiZr-85Sau.tdb: NI11ZR9, type code %, sha256 5171ebe11b8dd706…

63: PHASE NI11ZR9 % 2 11 9 !
64: CONST NI11ZR9 : NI : ZR : !

NiZr-94Gho-LB.tdb: NI11ZR9, type code %, sha256 fd526703b674f014…

67: PHASE NI11ZR9 % 2 0.55 0.45 !
68: CONST NI11ZR9 : NI : ZR : !

Example references (10 of 14; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1016/j.intermet.2014.05.021 Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds, Intermetallics 54, 110-119 (2014).
cited as the source of values for this phase
doi:10.1103/physrevb.71.144103 R. G. Hennig, A. E. Carlsson, K. F. Kelton, C. L. Henley, Ab initioTi-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals, Phys. Rev. B 71 (2005).
cited as the source of values for this phase
doi:10.1016/0022-5088(79)90135-8 J.L Glimois, C Becle, G Develey, J.M Moreau, Crystal structure of the intermetallic compound Ni11Zr9, Journal of the Less Common Metals 64, 87-90 (1979).
cited as the source of values for this phase

NI21ZR8 (Ni–Zr)

Id: phase:ni-zr:ni21zr8; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; no_structure_token
Candidate (literature_printed): Hf8Ni21 · aP29 — printed with a label mapped to this phase
Candidate (sgte_mmc2): Hf8Ni21 · aP29 · P-1 (2) — Hallstedt 2025 mmc2 row for NI21ZR8: Ni21Zr8
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-05Abe.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-07Tok.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-07Wan.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-11Cac.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-20Jan.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Candidate (tdb_comment): Hf8Ni21 · aP29 · P-1 — NiZr-85Sau.tdb: 'Prototype Hf8Ni21 (aP29, P-1)'
Stability: stable in 7 of 7 calculated diagram(s): 300–1483.01 K, x(Zr) 0.275–0.27586
Literature: 67 values (67 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:ni21zr8
paper: paper:10.1016/j.calphad.2007.07.001:Ni21Zr8, paper:10.1016/j.calphad.2011.10.003:Zr8Ni21, paper:10.1016/j.intermet.2019.106640:Ni21Zr8
tdb: tdb:NiZr-05Abe.tdb:NI21ZR8, tdb:NiZr-07Tok.tdb:NI21ZR8, tdb:NiZr-07Wan.tdb:NI21ZR8, tdb:NiZr-11Cac.tdb:NI21ZR8, tdb:NiZr-20Jan.tdb:NI21ZR8, tdb:NiZr-85Sau.tdb:NI21ZR8, tdb:NiZr-94Gho-LB.tdb:NI21ZR8

TDB models of NI21ZR8 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NI21ZR8, type code %, sha256 cc5697c14739db04…

67: PHASE NI21ZR8 % 2 21 8 !
68: CONST NI21ZR8 : NI : ZR : !

NiZr-07Tok.tdb: NI21ZR8, type code %, sha256 01abdeb1f65b763c…

66: PHASE NI21ZR8 % 2 0.725 0.275 !
67: CONST NI21ZR8 : NI : ZR : !

NiZr-07Wan.tdb: NI21ZR8, type code %, sha256 6053b2b0640d1c27…

55: PHASE NI21ZR8 % 2 21 8 !
56: CONST NI21ZR8 : NI : ZR : !

NiZr-11Cac.tdb: NI21ZR8, type code %, sha256 ef2178351f0f844e…

64: PHASE NI21ZR8 % 2 21 8 !
65: CONST NI21ZR8 : NI : ZR : !

NiZr-20Jan.tdb: NI21ZR8, type code %, sha256 bc80ea0218a30fd0…

58: PHASE NI21ZR8 % 2 21 8 !
59: CONST NI21ZR8 : NI : ZR : !

NiZr-85Sau.tdb: NI21ZR8, type code %, sha256 5171ebe11b8dd706…

53: PHASE NI21ZR8 % 2 21 8 !
54: CONST NI21ZR8 : NI : ZR : !

NiZr-94Gho-LB.tdb: NI21ZR8, type code %, sha256 fd526703b674f014…

57: PHASE NI21ZR8 % 2 0.725 0.275 !
58: CONST NI21ZR8 : NI : ZR : !

Example references (10 of 12; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1016/0022-5088(79)90241-8 Lars Bsenko, The HfNi and ZrNi systems in the region 65 – 80 at.% Ni, Journal of the Less Common Metals 63, 171-179 (1979).
cited as the source of values for this phase
doi:10.1016/j.intermet.2014.05.021 Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds, Intermetallics 54, 110-119 (2014).
cited as the source of values for this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase

NI3ZR_D019 (Ni–Zr)

Id: phase:ni-zr:ni3zr-d019; status assigned
Structure: Ni3Sn · D0_19 · hP8 · P6_3/mmc (194); type st:d0-19-ni3sn-hp8; tier A: standard phase name; confidence high
Stability: stable in 5 of 5 calculated diagram(s): 300–1261.09 K, x(Zr) 0.248–0.25
Literature: 13 values (13 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:ni-zr:ni3zr-d019
paper: paper:10.1016/j.calphad.2007.07.001:Ni3Zr, paper:10.1016/j.intermet.2019.106640:Ni3Zr
tdb: tdb:NiZr-07Tok.tdb:NI3ZR_D019, tdb:NiZr-07Wan.tdb:NI3ZR_D019, tdb:NiZr-11Cac.tdb:NI3ZR_D019, tdb:NiZr-20Jan.tdb:NI3ZR_D019, tdb:NiZr-94Gho-LB.tdb:NI3ZR_D019

TDB models of NI3ZR_D019 (5): PHASE and CONSTITUENT statements as written

NiZr-07Tok.tdb: NI3ZR_D019, type code %, sha256 01abdeb1f65b763c…

61: PHASE NI3ZR_D019 % 2 0.75 0.25 !
62: CONST NI3ZR_D019 : NI% ZR : VA ZR% : !

NiZr-07Wan.tdb: NI3ZR_D019, type code %, sha256 6053b2b0640d1c27…

50: PHASE NI3ZR_D019 % 2 3 1 !
51: CONST NI3ZR_D019 : NI : ZR : !

NiZr-11Cac.tdb: NI3ZR_D019, type code %, sha256 ef2178351f0f844e…

59: PHASE NI3ZR_D019 % 2 3 1 !
60: CONST NI3ZR_D019 : NI% ZR : VA ZR% : !

NiZr-20Jan.tdb: NI3ZR_D019, type code %, sha256 bc80ea0218a30fd0…

53: PHASE NI3ZR_D019 % 2 3 1 !
54: CONST NI3ZR_D019 : NI : ZR : !

NiZr-94Gho-LB.tdb: NI3ZR_D019, type code %, sha256 fd526703b674f014…

52: PHASE NI3ZR_D019 % 2 0.75 0.25 !
53: CONST NI3ZR_D019 : NI% ZR : VA ZR% : !

Example references (10 of 10; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1016/0022-5088(79)90241-8 Lars Bsenko, The HfNi and ZrNi systems in the region 65 – 80 at.% Ni, Journal of the Less Common Metals 63, 171-179 (1979).
cited as the source of values for this phase
doi:10.1016/0364-5916(85)90032-x C. Colinet, A. Pasturel, P. Hicter, Calphad 9 (1985) 71–99.
cited as the source of values for this phase
doi:10.1016/j.cplett.2007.06.031 R.F. Zhang, S.H. Sheng, B.X. Liu, Predicting the formation enthalpies of binary intermetallic compounds, Chemical Physics Letters 442, 511-514 (2007).
cited as the source of values for this phase
doi:10.1016/j.intermet.2014.05.021 Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds, Intermetallics 54, 110-119 (2014).
cited as the source of values for this phase
doi:10.1103/physrevb.71.144103 R. G. Hennig, A. E. Carlsson, K. F. Kelton, C. L. Henley, Ab initioTi-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals, Phys. Rev. B 71 (2005).
cited as the source of values for this phase

NI5ZR_C15B (Ni–Zr)

Id: phase:ni-zr:ni5zr-c15b; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:site_ratios_contradict_C15_b; site_ratios_contradict_C15_b:NiZr-07Tok.tdb; site_ratios_contradict_C15_b:NiZr-94Gho-LB.tdb
Candidate (dft_oqmd): F-43m (216) — on-hull OQMD Ni5 Zr1 at x(ZR)=0.1667
Candidate (literature_printed): AuBe5 · cF24 — printed with a label mapped to this phase
Candidate (name_token): AuBe5 · C15_b · cF24 · F-43m (216) — Strukturbericht/word 'C15B' in the TDB name
Candidate (sgte_mmc2): AuBe5 · C15_b · cF24 · F-43m (216) — Hallstedt 2025 mmc2 row for NI5ZR_C15B: Ni5Zr
Candidate (tdb_comment): AuBe5 · cF24 · F-43m — NiZr-05Abe.tdb: 'Prototype AuBe5 (cF24, F-43m)'
Candidate (tdb_comment): AuBe5 · cF24 · F-43m — NiZr-07Tok.tdb: 'Prototype AuBe5 (cF24, F-43m)'
Candidate (tdb_comment): AuBe5 · cF24 · F-43m — NiZr-07Wan.tdb: 'Prototype AuBe5 (cF24, F-43m)'
Candidate (tdb_comment): AuBe5 · cF24 · F-43m — NiZr-11Cac.tdb: 'Prototype AuBe5 (cF24, F-43m)'
Stability: stable in 7 of 7 calculated diagram(s): 300–1602.99 K, x(Zr) 0.14044–0.17163
Literature: 31 values (31 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:ni5zr-c15b
paper: paper:10.1016/j.calphad.2007.07.001:(Ni5Zr), paper:10.1016/j.calphad.2011.10.003:ZrNi5, paper:10.1016/j.intermet.2019.106640:Ni5Zr
tdb: tdb:NiZr-05Abe.tdb:NI5ZR_C15B, tdb:NiZr-07Tok.tdb:NI5ZR_C15B, tdb:NiZr-07Wan.tdb:NI5ZR_C15B, tdb:NiZr-11Cac.tdb:NI5ZR_C15B, tdb:NiZr-20Jan.tdb:NI5ZR_C15B, tdb:NiZr-85Sau.tdb:NI5ZR_C15B, tdb:NiZr-94Gho-LB.tdb:NI5ZR_C15B

TDB models of NI5ZR_C15B (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NI5ZR_C15B, type code %, sha256 cc5697c14739db04…

57: PHASE NI5ZR_C15B % 2 5 1 !
58: CONST NI5ZR_C15B : NI : ZR : !

NiZr-07Tok.tdb: NI5ZR_C15B, type code %, sha256 01abdeb1f65b763c…

51: PHASE NI5ZR_C15B % 2 0.833 0.167 !
52: CONST NI5ZR_C15B : NI% ZR : VA ZR% : !

NiZr-07Wan.tdb: NI5ZR_C15B, type code %, sha256 6053b2b0640d1c27…

40: PHASE NI5ZR_C15B % 2 5 1 !
41: CONST NI5ZR_C15B : NI% ZR : VA ZR% : !

NiZr-11Cac.tdb: NI5ZR_C15B, type code %, sha256 ef2178351f0f844e…

49: PHASE NI5ZR_C15B % 2 5 1 !
50: CONST NI5ZR_C15B : NI% ZR : VA ZR% : !

NiZr-20Jan.tdb: NI5ZR_C15B, type code %, sha256 bc80ea0218a30fd0…

43: PHASE NI5ZR_C15B % 2 5 1 !
44: CONST NI5ZR_C15B : NI : NI ZR% : !

NiZr-85Sau.tdb: NI5ZR_C15B, type code %, sha256 5171ebe11b8dd706…

43: PHASE NI5ZR_C15B % 2 5 1 !
44: CONST NI5ZR_C15B : NI : ZR : !

NiZr-94Gho-LB.tdb: NI5ZR_C15B, type code %, sha256 fd526703b674f014…

42: PHASE NI5ZR_C15B % 2 0.833 0.167 !
43: CONST NI5ZR_C15B : NI% ZR : VA ZR% : !

Example references (10 of 14; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase
doi:10.1016/0022-5088(83)90497-6 J.C. Gachon, M. Dirand, J. Hertz, Enthalpic and structural studies of the NiZr system, Journal of the Less Common Metals 92, 307-315 (1983).
cited as the source of values for this phase
doi:10.1016/0364-5916(85)90032-x C. Colinet, A. Pasturel, P. Hicter, Calphad 9 (1985) 71–99.
cited as the source of values for this phase

NI7ZR2 (Ni–Zr)

Id: phase:ni-zr:ni7zr2; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; no_structure_token
Candidate (literature_printed): Ni7Zr2 · mC36 — printed with a label mapped to this phase
Candidate (sgte_mmc2): Ni7Zr2 · mC36 · C2/m (12) — Hallstedt 2025 mmc2 row for NI7ZR2: Ni7Zr2
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-05Abe.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-07Tok.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-07Wan.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-11Cac.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-20Jan.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Candidate (tdb_comment): Ni7Zr2 · mC36 · C2/m — NiZr-85Sau.tdb: 'Prototype Ni7Zr2 (mC36, C2/m)'
Stability: stable in 7 of 7 calculated diagram(s): 300–1723.01 K, x(Zr) 0.22–0.22222
Literature: 75 values (75 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:ni7zr2
paper: paper:10.1016/j.calphad.2007.07.001:Ni7Zr2, paper:10.1016/j.calphad.2011.10.003:Zr2Ni7, paper:10.1016/j.intermet.2019.106640:Ni7Zr2
tdb: tdb:NiZr-05Abe.tdb:NI7ZR2, tdb:NiZr-07Tok.tdb:NI7ZR2, tdb:NiZr-07Wan.tdb:NI7ZR2, tdb:NiZr-11Cac.tdb:NI7ZR2, tdb:NiZr-20Jan.tdb:NI7ZR2, tdb:NiZr-85Sau.tdb:NI7ZR2, tdb:NiZr-94Gho-LB.tdb:NI7ZR2

TDB models of NI7ZR2 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NI7ZR2, type code %, sha256 cc5697c14739db04…

62: PHASE NI7ZR2 % 2 7 2 !
63: CONST NI7ZR2 : NI : ZR : !

NiZr-07Tok.tdb: NI7ZR2, type code %, sha256 01abdeb1f65b763c…

56: PHASE NI7ZR2 % 2 0.78 0.22 !
57: CONST NI7ZR2 : NI : ZR : !

NiZr-07Wan.tdb: NI7ZR2, type code %, sha256 6053b2b0640d1c27…

45: PHASE NI7ZR2 % 2 7 2 !
46: CONST NI7ZR2 : NI : ZR : !

NiZr-11Cac.tdb: NI7ZR2, type code %, sha256 ef2178351f0f844e…

54: PHASE NI7ZR2 % 2 7 2 !
55: CONST NI7ZR2 : NI : ZR : !

NiZr-20Jan.tdb: NI7ZR2, type code %, sha256 bc80ea0218a30fd0…

48: PHASE NI7ZR2 % 2 7 2 !
49: CONST NI7ZR2 : NI : ZR : !

NiZr-85Sau.tdb: NI7ZR2, type code %, sha256 5171ebe11b8dd706…

48: PHASE NI7ZR2 % 2 7 2 !
49: CONST NI7ZR2 : NI : ZR : !

NiZr-94Gho-LB.tdb: NI7ZR2, type code %, sha256 fd526703b674f014…

47: PHASE NI7ZR2 % 2 0.78 0.22 !
48: CONST NI7ZR2 : NI : ZR : !

Example references (10 of 16; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1107/s0567740872004649 F. R. Eshelman, J. F. Smith, The structure of Zr2Ni7, Acta Crystallogr B Struct Crystallogr Cryst Chem 28, 1594-1600 (1972).
cited as the source of values for this phase
doi:10.1016/j.intermet.2014.05.021 Jinglian Du, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds, Intermetallics 54, 110-119 (2014).
cited as the source of values for this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase

NIZR_B33 (Ni–Zr)

Id: phase:ni-zr:nizr-b33; status assigned
Structure: CrB · B33 · oC8 · Cmcm (63); type st:b33-crb-oc8; tier A: standard phase name; confidence high
Stoichiometry: Ni 0.5000, Zr 0.5000
Stability: stable in 7 of 7 calculated diagram(s): 300–1542.7 K, x(Zr) 0.5–0.5
Literature: 62 values (62 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:nizr-b33
paper: paper:10.1016/j.calphad.2007.07.001:NiZr, paper:10.1016/j.calphad.2011.10.003:ZrNi, paper:10.1016/j.intermet.2019.106640:NiZr
tdb: tdb:NiZr-05Abe.tdb:NIZR_B33, tdb:NiZr-07Tok.tdb:NIZR_B33, tdb:NiZr-07Wan.tdb:NIZR_B33, tdb:NiZr-11Cac.tdb:NIZR_B33, tdb:NiZr-20Jan.tdb:NIZR_B33, tdb:NiZr-85Sau.tdb:NIZR_B33, tdb:NiZr-94Gho-LB.tdb:NIZR_B33

TDB models of NIZR_B33 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NIZR_B33, type code %, sha256 cc5697c14739db04…

82: PHASE NIZR_B33 % 2 1 1 !
83: CONST NIZR_B33 : NI : ZR : !

NiZr-07Tok.tdb: NIZR_B33, type code %, sha256 01abdeb1f65b763c…

81: PHASE NIZR_B33 % 2 0.5 0.5 !
82: CONST NIZR_B33 : NI : ZR : !

NiZr-07Wan.tdb: NIZR_B33, type code %, sha256 6053b2b0640d1c27…

70: PHASE NIZR_B33 % 2 1 1 !
71: CONST NIZR_B33 : NI : ZR : !

NiZr-11Cac.tdb: NIZR_B33, type code %, sha256 ef2178351f0f844e…

79: PHASE NIZR_B33 % 2 1 1 !
80: CONST NIZR_B33 : NI : ZR : !

NiZr-20Jan.tdb: NIZR_B33, type code %, sha256 bc80ea0218a30fd0…

73: PHASE NIZR_B33 % 2 1 1 !
74: CONST NIZR_B33 : NI : ZR : !

NiZr-85Sau.tdb: NIZR_B33, type code %, sha256 5171ebe11b8dd706…

68: PHASE NIZR_B33 % 2 1 1 !
69: CONST NIZR_B33 : NI : ZR : !

NiZr-94Gho-LB.tdb: NIZR_B33, type code %, sha256 fd526703b674f014…

72: PHASE NIZR_B33 % 2 0.5 0.5 !
73: CONST NIZR_B33 : NI : ZR : !

Example references (10 of 17; assessments first):

doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase
doi:10.1016/0364-5916(81)90015-8 R.E. Watson, L.H. Bennett, Optimized prediction for heats of formation of transition metal alloys, Calphad 5 (1) (1981) 2–40.
cited as the source of values for this phase
doi:10.1016/0364-5916(85)90032-x C. Colinet, A. Pasturel, P. Hicter, Calphad 9 (1985) 71–99.
cited as the source of values for this phase

NIZR2_C16 (Ni–Zr)

Id: phase:ni-zr:nizr2-c16; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; stoichiometry_contradicts_C16:NiZr-07Tok.tdb; stoichiometry_contradicts_C16:NiZr-94Gho-LB.tdb
Candidate (literature_printed): Al2Cu · tI12 — printed with a label mapped to this phase
Candidate (name_token): Al2Cu · C16 · tI12 · I4/mcm (140) — Strukturbericht/word 'C16' in the TDB name
Candidate (sgte_mmc2): Al2Cu · C16 · tI12 · I4/mcm (140) — Hallstedt 2025 mmc2 row for NIZR2_C16: NiZr2
Candidate (tdb_comment): Al2Cu · tI12 · I4/mcm — NiZr-05Abe.tdb: 'Prototype Al2Cu (tI12, I4/mcm)'
Candidate (tdb_comment): Al2Cu · tI12 · I4/mcm — NiZr-07Tok.tdb: 'Prototype Al2Cu (tI12, I4/mcm)'
Candidate (tdb_comment): Al2Cu · tI12 · I4/mcm — NiZr-07Wan.tdb: 'Prototype Al2Cu (tI12, I4/mcm)'
Candidate (tdb_comment): Al2Cu · tI12 · I4/mcm — NiZr-11Cac.tdb: 'Prototype Al2Cu (tI12, I4/mcm)'
Candidate (tdb_comment): Al2Cu · tI12 · I4/mcm — NiZr-20Jan.tdb: 'Prototype Al2Cu (tI12, I4/mcm)'
Stability: stable in 7 of 7 calculated diagram(s): 300–1402.37 K, x(Zr) 0.66667–0.667
Literature: 59 values (59 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:ni-zr:nizr2-c16
paper: paper:10.1016/j.calphad.2007.07.001:NiZr2, paper:10.1016/j.calphad.2011.10.003:Zr2Ni, paper:10.1016/j.intermet.2019.106640:NiZr2
tdb: tdb:NiZr-05Abe.tdb:NIZR2_C16, tdb:NiZr-07Tok.tdb:NIZR2_C16, tdb:NiZr-07Wan.tdb:NIZR2_C16, tdb:NiZr-11Cac.tdb:NIZR2_C16, tdb:NiZr-20Jan.tdb:NIZR2_C16, tdb:NiZr-85Sau.tdb:NIZR2_C16, tdb:NiZr-94Gho-LB.tdb:NIZR2_C16

TDB models of NIZR2_C16 (7): PHASE and CONSTITUENT statements as written

NiZr-05Abe.tdb: NIZR2_C16, type code %, sha256 cc5697c14739db04…

87: PHASE NIZR2_C16 % 2 1 2 !
88: CONST NIZR2_C16 : NI : ZR : !

NiZr-07Tok.tdb: NIZR2_C16, type code %, sha256 01abdeb1f65b763c…

86: PHASE NIZR2_C16 % 2 0.333 0.667 !
87: CONST NIZR2_C16 : NI : ZR : !

NiZr-07Wan.tdb: NIZR2_C16, type code %, sha256 6053b2b0640d1c27…

75: PHASE NIZR2_C16 % 2 1 2 !
76: CONST NIZR2_C16 : NI : ZR : !

NiZr-11Cac.tdb: NIZR2_C16, type code %, sha256 ef2178351f0f844e…

84: PHASE NIZR2_C16 % 2 1 2 !
85: CONST NIZR2_C16 : NI% VA : NI ZR% : !

NiZr-20Jan.tdb: NIZR2_C16, type code %, sha256 bc80ea0218a30fd0…

78: PHASE NIZR2_C16 % 2 1 2 !
79: CONST NIZR2_C16 : NI : ZR : !

NiZr-85Sau.tdb: NIZR2_C16, type code %, sha256 5171ebe11b8dd706…

73: PHASE NIZR2_C16 % 2 1 2 !
74: CONST NIZR2_C16 : NI : ZR : !

NiZr-94Gho-LB.tdb: NIZR2_C16, type code %, sha256 fd526703b674f014…

77: PHASE NIZR2_C16 % 2 0.333 0.667 !
78: CONST NIZR2_C16 : NI : ZR : !

Example references (10 of 15; assessments first):

doi:10.1016/j.calphad.2007.07.001 Na Wang, Changrong Li, Zhenmin Du, Fenge Wang, Experimental study and thermodynamic re-assessment of the Ni–Zr system, Calphad 31, 413-421 (2007).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2019.106640 Asmita Jana, Soumya Sridar, Suzana G. Fries, Thomas Hammerschmidt, K.C. Hari Kumar, Thermodynamic modelling of the Ni–Zr system, Intermetallics 116, 106640 (2020).
assessment that models this phase; reports values for this phase
doi:10.1557/JMR.1994.0598 G. Ghosh, J. Mater. Res., 9, 598-616(1994).
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.2320/matertrans.46.2838 Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni&ndash;Zr System, Mater. Trans. 46, 2838-2843 (2005).
assessment that models this phase
doi:10.2320/matertrans.MB200713 T. Tokunaga, S. Matsumoto, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 48, 2263-71(2007).
assessment that models this phase
doi:10.1039/b201036b A. I. Zaitsev, N. E. Zaitseva, E. Kh. Shakhpazov, A. A. Kodentsov, Thermodynamic properties and phase equilibria in the nickel–zirconium system. The liquid to amorphous state transition, Phys. Chem. Chem. Phys. 4, 6047-6058 (2002).
cited as the source of values for this phase
doi:10.1016/0364-5916(85)90032-x C. Colinet, A. Pasturel, P. Hicter, Calphad 9 (1985) 71–99.
cited as the source of values for this phase
doi:10.1016/j.cplett.2007.06.031 R.F. Zhang, S.H. Sheng, B.X. Liu, Predicting the formation enthalpies of binary intermetallic compounds, Chemical Physics Letters 442, 511-514 (2007).
cited as the source of 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}
}