# Ni–Zr phases > Ni–Zr system: 12 phases (tier A 5, tier C 1, liquid 1, needs_review 5); 12 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references. HTML: https://data.orchid-project.org/phases/pages/NI-ZR.html · Markdown: https://data.orchid-project.org/phases/pages/NI-ZR.md 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](https://orchid-project.org/phases/?q=NI-ZR) · [full JSON](https://data.orchid-project.org/phases/systems/NI-ZR.json) · [Ni–Zr system page](https://data.orchid-project.org/systems/NI-ZR.html) · [Markdown](https://data.orchid-project.org/phases/pages/NI-ZR.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md) Table: Phases of the Ni–Zr system (12) | Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models | |---|---|---|---|---:|---:| | [BCC_A2](#phase-ni-zr-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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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](https://orchid-project.org/phases/#phase:ni-zr:bcc-a2) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): BCC_A2, type code %B, sha256 `cc5697c14739db04…` ~~~~text 47: PHASE BCC_A2 %B 2 1 3 ! 48: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): BCC_A2, type code %B, sha256 `01abdeb1f65b763c…` ~~~~text 41: PHASE BCC_A2 %B 2 1 3 ! 42: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): BCC_A2, type code %B, sha256 `6053b2b0640d1c27…` ~~~~text 30: PHASE BCC_A2 %B 2 1 3 ! 31: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): BCC_A2, type code %B, sha256 `ef2178351f0f844e…` ~~~~text 39: PHASE BCC_A2 %B 2 1 3 ! 40: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): BCC_A2, type code %B, sha256 `bc80ea0218a30fd0…` ~~~~text 33: PHASE BCC_A2 %B 2 1 3 ! 34: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): BCC_A2, type code %B, sha256 `5171ebe11b8dd706…` ~~~~text 33: PHASE BCC_A2 %B 2 1 3 ! 34: CONST BCC_A2 : NI ZR% : VA : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): BCC_A2, type code %B, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:fcc-a1) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): FCC_A1, type code %A, sha256 `cc5697c14739db04…` ~~~~text 42: PHASE FCC_A1 %A 2 1 1 ! 43: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): FCC_A1, type code %A, sha256 `01abdeb1f65b763c…` ~~~~text 36: PHASE FCC_A1 %A 2 1 1 ! 37: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): FCC_A1, type code %A, sha256 `6053b2b0640d1c27…` ~~~~text 25: PHASE FCC_A1 %A 2 1 1 ! 26: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): FCC_A1, type code %A, sha256 `ef2178351f0f844e…` ~~~~text 34: PHASE FCC_A1 %A 2 1 1 ! 35: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): FCC_A1, type code %A, sha256 `bc80ea0218a30fd0…` ~~~~text 28: PHASE FCC_A1 %A 2 1 1 ! 29: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): FCC_A1, type code %A, sha256 `5171ebe11b8dd706…` ~~~~text 28: PHASE FCC_A1 %A 2 1 1 ! 29: CONST FCC_A1 : NI% ZR : VA : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): FCC_A1, type code %A, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:hcp-a3) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): HCP_A3, type code %A, sha256 `cc5697c14739db04…` ~~~~text 52: PHASE HCP_A3 %A 2 1 0.5 ! 53: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): HCP_A3, type code %A, sha256 `01abdeb1f65b763c…` ~~~~text 46: PHASE HCP_A3 %A 2 1 0.5 ! 47: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): HCP_A3, type code %A, sha256 `6053b2b0640d1c27…` ~~~~text 35: PHASE HCP_A3 %A 2 1 0.5 ! 36: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): HCP_A3, type code %A, sha256 `ef2178351f0f844e…` ~~~~text 44: PHASE HCP_A3 %A 2 1 0.5 ! 45: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): HCP_A3, type code %A, sha256 `bc80ea0218a30fd0…` ~~~~text 38: PHASE HCP_A3 %A 2 1 0.5 ! 39: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): HCP_A3, type code %A, sha256 `5171ebe11b8dd706…` ~~~~text 38: PHASE HCP_A3 %A 2 1 0.5 ! 39: CONST HCP_A3 : NI ZR% : VA : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): HCP_A3, type code %A, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.1016/j.calphad.2011.10.003](https://doi.org/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](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:liquid) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): LIQUID, type code %A, sha256 `cc5697c14739db04…` ~~~~text 37: PHASE LIQUID:L %A 1 1 ! 38: CONST LIQUID:L : NI NI2ZR ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): LIQUID, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 31: PHASE LIQUID:L % 1 1 ! 32: CONST LIQUID:L : NI ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): LIQUID, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 20: PHASE LIQUID:L % 1 1 ! 21: CONST LIQUID:L : NI ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): LIQUID, type code %, sha256 `ef2178351f0f844e…` ~~~~text 29: PHASE LIQUID:L % 1 1 ! 30: CONST LIQUID:L : NI ZR : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): LIQUID, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 23: PHASE LIQUID:L % 1 1 ! 24: CONST LIQUID:L : NI ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): LIQUID, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 23: PHASE LIQUID:L % 1 1 ! 24: CONST LIQUID:L : NI ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): LIQUID, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0022-5088%2879%2990241-8) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:ni10zr7) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NI10ZR7, type code %, sha256 `cc5697c14739db04…` ~~~~text 72: PHASE NI10ZR7 % 2 10 7 ! 73: CONST NI10ZR7 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI10ZR7, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 71: PHASE NI10ZR7 % 2 0.575 0.425 ! 72: CONST NI10ZR7 : NI% ZR : VA ZR% : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI10ZR7, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 60: PHASE NI10ZR7 % 2 10 7 ! 61: CONST NI10ZR7 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI10ZR7, type code %, sha256 `ef2178351f0f844e…` ~~~~text 69: PHASE NI10ZR7 % 2 10 7 ! 70: CONST NI10ZR7 : NI% ZR : VA ZR% : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI10ZR7, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 63: PHASE NI10ZR7 % 2 10 7 ! 64: CONST NI10ZR7 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NI10ZR7, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 58: PHASE NI10ZR7 % 2 23 17 ! 59: CONST NI10ZR7 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI10ZR7, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/10.1107/s0365110x62002339) M. E. Kirkpatrick, J. F. Smith, W. L. Larsen, Structures of the intermediate phases Ni\10\Zr\7\and Ni\10\Hf\7\, Acta Cryst 15, 894-903 (1962). _cited as the source of values for this phase_ - [doi:10.1016/j.intermet.2014.05.021](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:ni11zr9) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NI11ZR9, type code %, sha256 `cc5697c14739db04…` ~~~~text 77: PHASE NI11ZR9 % 2 11 9 ! 78: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI11ZR9, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 76: PHASE NI11ZR9 % 2 0.55 0.45 ! 77: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI11ZR9, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 65: PHASE NI11ZR9 % 2 11 9 ! 66: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI11ZR9, type code %, sha256 `ef2178351f0f844e…` ~~~~text 74: PHASE NI11ZR9 % 2 11 9 ! 75: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI11ZR9, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 68: PHASE NI11ZR9 % 2 11 9 ! 69: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NI11ZR9, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 63: PHASE NI11ZR9 % 2 11 9 ! 64: CONST NI11ZR9 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI11ZR9, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.1016/j.calphad.2011.10.003](https://doi.org/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](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/10.1103/physrevb.71.144103) R. G. Hennig, A. E. Carlsson, K. F. Kelton, C. L. Henley, \Ab initio\Ti-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](https://doi.org/10.1016/0022-5088%2879%2990135-8) 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](https://orchid-project.org/phases/#phase:ni-zr:ni21zr8) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NI21ZR8, type code %, sha256 `cc5697c14739db04…` ~~~~text 67: PHASE NI21ZR8 % 2 21 8 ! 68: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI21ZR8, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 66: PHASE NI21ZR8 % 2 0.725 0.275 ! 67: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI21ZR8, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 55: PHASE NI21ZR8 % 2 21 8 ! 56: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI21ZR8, type code %, sha256 `ef2178351f0f844e…` ~~~~text 64: PHASE NI21ZR8 % 2 21 8 ! 65: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI21ZR8, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 58: PHASE NI21ZR8 % 2 21 8 ! 59: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NI21ZR8, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 53: PHASE NI21ZR8 % 2 21 8 ! 54: CONST NI21ZR8 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI21ZR8, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/10.1016/0022-5088%2879%2990241-8) 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](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:ni3zr-d019) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI3ZR_D019, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 61: PHASE NI3ZR_D019 % 2 0.75 0.25 ! 62: CONST NI3ZR_D019 : NI% ZR : VA ZR% : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI3ZR_D019, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 50: PHASE NI3ZR_D019 % 2 3 1 ! 51: CONST NI3ZR_D019 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI3ZR_D019, type code %, sha256 `ef2178351f0f844e…` ~~~~text 59: PHASE NI3ZR_D019 % 2 3 1 ! 60: CONST NI3ZR_D019 : NI% ZR : VA ZR% : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI3ZR_D019, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 53: PHASE NI3ZR_D019 % 2 3 1 ! 54: CONST NI3ZR_D019 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI3ZR_D019, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0022-5088%2879%2990241-8) 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](https://doi.org/10.1016/0364-5916%2885%2990032-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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1103/physrevb.71.144103) R. G. Hennig, A. E. Carlsson, K. F. Kelton, C. L. Henley, \Ab initio\Ti-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](https://orchid-project.org/phases/#phase:ni-zr:ni5zr-c15b) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NI5ZR_C15B, type code %, sha256 `cc5697c14739db04…` ~~~~text 57: PHASE NI5ZR_C15B % 2 5 1 ! 58: CONST NI5ZR_C15B : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI5ZR_C15B, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 51: PHASE NI5ZR_C15B % 2 0.833 0.167 ! 52: CONST NI5ZR_C15B : NI% ZR : VA ZR% : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI5ZR_C15B, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 40: PHASE NI5ZR_C15B % 2 5 1 ! 41: CONST NI5ZR_C15B : NI% ZR : VA ZR% : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI5ZR_C15B, type code %, sha256 `ef2178351f0f844e…` ~~~~text 49: PHASE NI5ZR_C15B % 2 5 1 ! 50: CONST NI5ZR_C15B : NI% ZR : VA ZR% : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI5ZR_C15B, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 43: PHASE NI5ZR_C15B % 2 5 1 ! 44: CONST NI5ZR_C15B : NI : NI ZR% : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NI5ZR_C15B, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 43: PHASE NI5ZR_C15B % 2 5 1 ! 44: CONST NI5ZR_C15B : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI5ZR_C15B, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0022-5088%2883%2990497-6) 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](https://doi.org/10.1016/0364-5916%2885%2990032-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](https://orchid-project.org/phases/#phase:ni-zr:ni7zr2) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NI7ZR2, type code %, sha256 `cc5697c14739db04…` ~~~~text 62: PHASE NI7ZR2 % 2 7 2 ! 63: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NI7ZR2, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 56: PHASE NI7ZR2 % 2 0.78 0.22 ! 57: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NI7ZR2, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 45: PHASE NI7ZR2 % 2 7 2 ! 46: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NI7ZR2, type code %, sha256 `ef2178351f0f844e…` ~~~~text 54: PHASE NI7ZR2 % 2 7 2 ! 55: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NI7ZR2, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 48: PHASE NI7ZR2 % 2 7 2 ! 49: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NI7ZR2, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 48: PHASE NI7ZR2 % 2 7 2 ! 49: CONST NI7ZR2 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NI7ZR2, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://orchid-project.org/phases/#phase:ni-zr:nizr-b33) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NIZR_B33, type code %, sha256 `cc5697c14739db04…` ~~~~text 82: PHASE NIZR_B33 % 2 1 1 ! 83: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NIZR_B33, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 81: PHASE NIZR_B33 % 2 0.5 0.5 ! 82: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NIZR_B33, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 70: PHASE NIZR_B33 % 2 1 1 ! 71: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NIZR_B33, type code %, sha256 `ef2178351f0f844e…` ~~~~text 79: PHASE NIZR_B33 % 2 1 1 ! 80: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NIZR_B33, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 73: PHASE NIZR_B33 % 2 1 1 ! 74: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NIZR_B33, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 68: PHASE NIZR_B33 % 2 1 1 ! 69: CONST NIZR_B33 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NIZR_B33, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2881%2990015-8) 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](https://doi.org/10.1016/0364-5916%2885%2990032-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](https://orchid-project.org/phases/#phase:ni-zr:nizr2-c16) 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](https://orchid-project.org/data/databases/sgte-binary/NiZr-05Abe.tdb): NIZR2_C16, type code %, sha256 `cc5697c14739db04…` ~~~~text 87: PHASE NIZR2_C16 % 2 1 2 ! 88: CONST NIZR2_C16 : NI : ZR : ! ~~~~ [NiZr-07Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Tok.tdb): NIZR2_C16, type code %, sha256 `01abdeb1f65b763c…` ~~~~text 86: PHASE NIZR2_C16 % 2 0.333 0.667 ! 87: CONST NIZR2_C16 : NI : ZR : ! ~~~~ [NiZr-07Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-07Wan.tdb): NIZR2_C16, type code %, sha256 `6053b2b0640d1c27…` ~~~~text 75: PHASE NIZR2_C16 % 2 1 2 ! 76: CONST NIZR2_C16 : NI : ZR : ! ~~~~ [NiZr-11Cac.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-11Cac.tdb): NIZR2_C16, type code %, sha256 `ef2178351f0f844e…` ~~~~text 84: PHASE NIZR2_C16 % 2 1 2 ! 85: CONST NIZR2_C16 : NI% VA : NI ZR% : ! ~~~~ [NiZr-20Jan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-20Jan.tdb): NIZR2_C16, type code %, sha256 `bc80ea0218a30fd0…` ~~~~text 78: PHASE NIZR2_C16 % 2 1 2 ! 79: CONST NIZR2_C16 : NI : ZR : ! ~~~~ [NiZr-85Sau.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-85Sau.tdb): NIZR2_C16, type code %, sha256 `5171ebe11b8dd706…` ~~~~text 73: PHASE NIZR2_C16 % 2 1 2 ! 74: CONST NIZR2_C16 : NI : ZR : ! ~~~~ [NiZr-94Gho-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiZr-94Gho-LB.tdb): NIZR2_C16, type code %, sha256 `fd526703b674f014…` ~~~~text 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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990001-X) N. Saunders, Calphad, 9, 297-309(1985). _assessment that models this phase_ - [doi:10.2320/matertrans.46.2838](https://doi.org/10.2320/matertrans.46.2838) Taichi Abe, Hidehiro Onodera, Masato Shimono, Machiko Ode, Thermodynamic Modeling of the Undercooled Liquid in the Ni–Zr System, Mater. Trans. 46, 2838-2843 (2005). _assessment that models this phase_ - [doi:10.2320/matertrans.MB200713](https://doi.org/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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2885%2990032-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](https://doi.org/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). https://doi.org/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). https://doi.org/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. ```bibtex @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} } ``` --- Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).