# Ni system

> Ni system: 60 accepted literature values (crystal structure 20, formation 20, phase transition 12, activity / EMF / Gibbs energy 8) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/NI.html · Markdown: https://data.orchid-project.org/systems/NI.md

60 accepted literature values from 20 paper(s) (experimental 12, model 16, DFT 22, unspecified 10); 0 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/NI.json) · [CSV](https://data.orchid-project.org/systems/NI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#NI) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/NI.html) · [Markdown](https://data.orchid-project.org/systems/NI.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 12 |
| model | 16 |
| DFT | 22 |
| unspecified | 10 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| phase transition | 12 |
| formation | 20 |
| activity / EMF / Gibbs energy | 8 |
| crystal structure | 20 |

## Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from [dft_parity.json](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, Ni system (19)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| A1-Ni |  | 0 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Berche 2016 | Table 2, p. 4, row 1; `ORC-AHKQDN4OVJ.4a984b` |  |
| D0_22 |  | 20 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 15; `ORC-RC3BSYWH7Y.b9c91b` |  |
| D0_22 |  | 27.044 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 15; `ORC-RC3BSYWH7Y.ecb543` |  |
| D0_22 |  | 33.187 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 15; `ORC-RC3BSYWH7Y.ba0343` |  |
| D0_22 |  | 35.782 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 15; `ORC-RC3BSYWH7Y.2cd403` |  |
| D0_22 |  | 41.925 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 15; `ORC-RC3BSYWH7Y.2970ec` |  |
| D0_a |  | 0.488 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 6; `ORC-SOVSORX6GL.744ece` |  |
| D0_a |  | 9.226 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 6; `ORC-SOVSORX6GL.679bf3` |  |
| D0_a |  | 20 kJ/mol (basis unstated) | 0 | unspecified |  |  | [2] Mathon 2009 | Table 2, p. 10, row 6; `ORC-SOVSORX6GL.2596b2` |  |
| Ni |  | 0 kJ/mol (basis unstated) | 0 | DFT |  |  | [3] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 24; `ORC-5EBBIE7IWM.335297` |  |
| Ni |  | 0 kJ/mol (basis unstated) |  | DFT |  |  | [3] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 24; `ORC-5EBBIE7IWM.d0ecfd` |  |
| Ni |  | 0 kJ/mol-atom |  | DFT |  |  | [4] Zhou 2009 | Table 6, p. 7, row 1; `ORC-Z5BP2ECH5W` |  |
| Ni |  | 9.33 kJ/mol (basis unstated) |  | DFT |  |  | [3] Zhou 2005 | Table 2, p. 4, row 25; `ORC-IL45GRAGXF.753057` |  |
| Ni |  | 9.33 kJ/mol (basis unstated) | 0 | DFT |  |  | [3] Zhou 2005 | Table 2, p. 4, row 25; `ORC-IL45GRAGXF.f4a144` |  |
| Ni |  | 9.33 kJ/mol-atom |  | DFT |  |  | [4] Zhou 2009 | Table 6, p. 7, row 2; `ORC-TW47OPDAEX` |  |
| Ni A1 |  | 9.2 kJ/mol-atom | 0 | DFT |  |  | [5] Cacciamani 2010 | Table 3, p. 7, row 13; `ORC-RATDL7RTN4` |  |
| Ni A2 |  | 0 kJ/mol-atom | 0 | DFT |  |  | [5] Cacciamani 2010 | Table 3, p. 7, row 14; `ORC-M6ZH5C4SG6` |  |
| Ni(fcc-A1) |  | 0 kJ/mol-atom | 298.15 | model |  |  | [6] Ross 2018 | Table 1, p. 4, row 1; `ORC-NXB4QUUXWI.faa632` |  |
| sigma |  | 9.843 kJ/mol-atom | 0 | DFT |  |  | [7] Tonyali 2024 | Table 4, p. 5, row 14; `ORC-D4Y3NAPN56` |  |

## Other properties

### Phase transition (12)

Table: Phase transition, Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 625.25 K | 625.25 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Maszkiewicz 1978_ [doi](https://doi.org/10.1002/pssa.2210470160) | Table 4, p. 42, row 6; `ORC-TJVP3VVYDX` |  |
| Phase transition | 626 K | 626 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Foster 1934_ [doi](https://doi.org/10.1080/14786443409462519) | Table 4, p. 42, row 7; `ORC-5IKQDMMZNK` |  |
| Phase transition | 627.2 K | 627.2 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Kouvel 1964_ [doi](https://doi.org/10.1103/physrev.136.a1626) | Table 4, p. 42, row 3; `ORC-MVFAEERPRS` |  |
| Phase transition | 628.5 K | 628.5 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Kollie 1977_ [doi](https://doi.org/10.1103/physrevb.16.4872) | Table 4, p. 42, row 8; `ORC-3FN54UUSRZ` |  |
| Phase transition | 628.5 K | 628.5 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Schmidt 1962_ | Table 4, p. 42, row 5; `ORC-W6GSGJ4LKW` |  |
| Phase transition | 631 K | 631 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Tange 1981_ [doi](https://doi.org/10.1143/jpsj.50.454) | Table 4, p. 42, row 4; `ORC-XWI6IEROMF` |  |
| Phase transition | 632 K | 632 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Shiga 1969_ | Table 4, p. 42, row 9; `ORC-LHHDTIDNQH` |  |
| Phase transition | 633 K | 633 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Crangle 1963_ [doi](https://doi.org/10.1098/rspa.1963.0045) | Table 4, p. 42, row 2; `ORC-2R4A5ZQIO2` |  |
| Phase transition | 633 K | 633 | magnetic: TC, K | experimental | [8] Hao 2021; _cites Meschter 1981_ [doi](https://doi.org/10.1016/0022-3697%2881%2990174-8) | Table 4, p. 42, row 1; `ORC-57DYGTGRGN` |  |
| Phase transition | 686 K | 686 | magnetic: TC, K | model | [8] Hao 2021; _cites Yu 2008_ [doi](https://doi.org/10.1103/physrevb.77.054431) | Table 4, p. 42, row 10; `ORC-VRS6KWRF73` |  |
| Phase transition | 1728.15 K | 1728.15 | L -> (fcc_A1); _L: Ni 1; (fcc_A1): Ni 1_ | experimental | [9] Kardellass 2015 | Table 6, p. 7, row 29; `ORC-H2BOKWP7XA` |  |
| Phase transition | 1728.15 K | 1728.15 | L -> (fcc_A1); _L: Ni 1; (fcc_A1): Ni 1_ | model | [9] Kardellass 2015 | Table 6, p. 7, row 30; `ORC-QGVIKVSSCY` |  |

### Formation (1)

Table: Formation, Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| end member formation energy; _printed: ΔEf_ | 7.08 kJ/mol-atom | 0 | (Ni)3(Ni)1; _alloy: Ni 1_ | DFT | [10] Santhy 2015 | Table 5, p. 4, row 10; `ORC-LXX4NRREAG` |  |

### Activity / EMF / Gibbs energy (8)

Table: Activity / EMF / Gibbs energy, Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | -766.64 J/mol | 0 | BCC_A2; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 47; `ORC-5VECLZ5PXN.cc693a` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | -766.64 J/mol | 0 | BCC_A2; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 47; `ORC-5VECLZ5PXN.cfd90c` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | FCC_A1; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 41; `ORC-5JLEG4GE3A.063f06` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | FCC_A1; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 41; `ORC-5JLEG4GE3A.1f45bb` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | HCP_A3; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 53; `ORC-BP4LLE3UCY.874543` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | HCP_A3; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 53; `ORC-BP4LLE3UCY.e2d33d` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | -80.44 J/mol | 0 | σ; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 58; `ORC-WCTOB43OG6.0086b7` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | -80.44 J/mol | 0 | σ; _alloy: Ni 1_ | model | [11] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 58; `ORC-WCTOB43OG6.3a92fc` |  |

### Crystal structure (20)

Table: Crystal structure, Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a; _printed: a_ | 3.516 Å | 0 | A1-Ni; _alloy: Ni 1_ | DFT | [1] Berche 2016 | Table 2, p. 4, row 1; `ORC-MNXIWEI33D.0cda5d` |  |
| Lattice a; _printed: a (M)_ | 2.799 Å | 0 | Bcc; _alloy: Ni 1_ | DFT | [12] Shang 2007 | Table 1, p. 2, row 5; `ORC-UTNDABMEJB.28c421` |  |
| Lattice a; _printed: a_ | 2.792 Å | 0 | Bcc; _alloy: Ni 1_ | DFT | [12] Shang 2007 | Table 1, p. 2, row 5; `ORC-UTNDABMEJB.569cdf` |  |
| Lattice a; _printed: a (M)_ | 3.518 Å | 0 | Fcc; _alloy: Ni 1_ | DFT | [12] Shang 2007 | Table 1, p. 2, row 10; `ORC-FH67ZBF6LL.0b0dd5` |  |
| Lattice a; _printed: a_ | 3.513 Å | 0 | Fcc; _alloy: Ni 1_ | DFT | [12] Shang 2007 | Table 1, p. 2, row 10; `ORC-FH67ZBF6LL.3fa2fc` |  |
| Lattice a | 2.8041 Å |  | bcc; _alloy: Ni 1_ | DFT | [13] Xiong 2011 | Table 1, p. 5, row 16; `ORC-4U4NGDPV44.22c972` |  |
| Lattice a | 3.523 Å |  | fcc; _alloy: Ni 1_ | model | [14] Kim 2011 | Table 1, p. 2, row 9; `ORC-F5WYALFFST` |  |
| Lattice a | 3.517 Å |  | fcc; _alloy: Ni 1_ | model | [14] Kim 2011 | Table 1, p. 2, row 8; `ORC-GS6IVXN2DL` |  |
| Lattice a | 3.498 Å |  | fcc; _alloy: Ni 1_ | model | [14] Kim 2011 | Table 1, p. 2, row 7; `ORC-RTF7TN4GBQ` |  |
| Lattice a; _printed: a_ | 3.531 Å | 0 | fcc-Ni; _alloy: Ni 1_ | DFT | [15] Hu 2017 | Table 3, p. 26, row 3; `ORC-IAXRV6DN7K.189ffc` |  |
| Lattice a; _printed: a_ | 3.54 Å | 0 | fcc-Ni | DFT | [15] Hu 2017 | Table 3, p. 26, row 4; `ORC-ZJ37KVI7VQ.224856` |  |
| Lattice a | 3.523 Å | 298.15 | Ni; _alloy: Ni 1_ | unspecified | [16] An 2012 | Table 2, p. 5, row 4; `ORC-OZI6YJRPV3` |  |
| Lattice a | 3.523 Å | 298.15 | Ni; _alloy: Ni 1_ | unspecified | [17] An 2013 | Table 3, p. 5, row 4; `ORC-PBEQT7JZZK.484054` |  |
| Lattice a | 3.524 Å | 298.15 | fcc(Ni); _alloy: Ni 1_ | model | [18] Liu 2016; _cites Massalski 1990_ | Table II, p. 2, row 6; `ORC-VHADNQ7HST` |  |
| Lattice a; _printed: Lattice parameter a_ | 3.525 Å | 298.15 | fcc-Ni; _alloy: Ni 1_ | experimental | [15] Hu 2017; _cites Palenzona 1973_ [doi](https://doi.org/10.1016/0022-5088%2873%2990188-4) | Table 3, p. 26, row 2; `ORC-TDHPQBYUMS.127862` |  |
| Lattice a; _printed: a_ | 3.524 Å | 298.15 | fcc-Ni; _alloy: Ni 1_ | experimental | [15] Hu 2017; _cites Buschow 1972_ [doi](https://doi.org/10.1016/0022-5088%2872%2990082-3) | Table 3, p. 26, row 1; `ORC-ZFHGIWUYEC.261581` |  |
| Lattice a | 3.5232 Å | 298.15 | γ-(Fe, Ni); _alloy: Ni 1_ | model | [19] Keyzer 2009 | Table 1, p. 3, row 1; `ORC-L4SLJ36CHK.2d4c95` |  |
| Molar volume; _printed: V0_ | 10.88 Å3/atom | 0 | fcc(Ni); _alloy: Ni 1_ | DFT | [20] Zhou 2020 | Table V, p. 12, row 3; `ORC-6I27XH5CWH` |  |
| lattice unspecified axis; _printed: a0_ | 2.8 Å | 0 | Ni A1; _alloy: Ni 1_ | DFT | [5] Cacciamani 2010 | Table 3, p. 7, row 13; `ORC-SV2DYP2GC2` |  |
| lattice unspecified axis; _printed: a0_ | 3.518 Å | 0 | Ni A2; _alloy: Ni 1_ | DFT | [5] Cacciamani 2010 | Table 3, p. 7, row 14; `ORC-32TJT4ZUEC` |  |

## Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

1. A. Berche, J.C. Tédenac, P. Jund, Phase diagram and enthalpy of formation of Hf-Ni-Sn, Computational Materials Science 125, 271-277 (2016). [doi:10.1016/j.commatsci.2016.08.042](https://doi.org/10.1016/j.commatsci.2016.08.042)
2. Muriel Mathon, Damien Connétable, Bo Sundman, Jacques Lacaze, Calphad-type assessment of the Fe–Nb–Ni ternary system, Calphad 33, 136-161 (2009). [doi:10.1016/j.calphad.2008.10.005](https://doi.org/10.1016/j.calphad.2008.10.005)
3. S.H. Zhou, Y. Wang, C. Jiang, J.Z. Zhu, L.-Q. Chen, Z.-K. Liu, First-principles calculations and thermodynamic modeling of the Ni–Mo system, Materials Science and Engineering: A 397, 288-296 (2005). [doi:10.1016/j.msea.2005.02.037](https://doi.org/10.1016/j.msea.2005.02.037)
4. S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano, Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations, Calphad 33, 631-641 (2009). [doi:10.1016/j.calphad.2009.06.006](https://doi.org/10.1016/j.calphad.2009.06.006)
5. G. Cacciamani, A. Dinsdale, M. Palumbo, A. Pasturel, The Fe–Ni system: Thermodynamic modelling assisted by atomistic calculations, Intermetallics 18, 1148-1162 (2010). [doi:10.1016/j.intermet.2010.02.026](https://doi.org/10.1016/j.intermet.2010.02.026)
6. A.J. Ross, T. Gheno, P.K. Ray, M.J. Kramer, X.L. Liu, G. Lindwall et al., A first-principles based description of the Hf-Ni system supported by high-temperature synchrotron experiments, Thermochimica Acta 668, 142-151 (2018). [doi:10.1016/j.tca.2018.08.011](https://doi.org/10.1016/j.tca.2018.08.011)
7. Beril Tonyali, Hui Sun, Brandon Bocklund, John Paul Borgonia, Richard A. Otis, Shun-Li Shang et al., Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations, Journal of Alloys and Compounds 985, 174011 (2024). [doi:10.1016/j.jallcom.2024.174011](https://doi.org/10.1016/j.jallcom.2024.174011)
8. Liangyan Hao, Andrei Ruban, Wei Xiong, CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: A case study on the Cr–Ni system, Calphad 73, 102268 (2021). [doi:10.1016/j.calphad.2021.102268](https://doi.org/10.1016/j.calphad.2021.102268)
9. S. Kardellass, C. Servant, N. Selhaoui, Thermodynamic description of the holmium–nickel system, J Therm Anal Calorim 119, 1225-1234 (2015). [doi:10.1007/s10973-014-4189-1](https://doi.org/10.1007/s10973-014-4189-1)
10. K. Santhy, K.C. Hari Kumar, Thermodynamic reassessment of Nb-Ni-Ti system with order–disorder model, Journal of Alloys and Compounds 619, 733-747 (2015). [doi:10.1016/j.jallcom.2014.08.200](https://doi.org/10.1016/j.jallcom.2014.08.200)
11. Júlio César Pereira dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova et al., Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System, J. Phase Equilib. Diffus. 45, 330-357 (2024). [doi:10.1007/s11669-023-01079-3](https://doi.org/10.1007/s11669-023-01079-3)
12. Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu, Thermodynamic modeling of the Ba–Ni–Ti system, Journal of Alloys and Compounds 430, 188-193 (2007). [doi:10.1016/j.jallcom.2006.03.096](https://doi.org/10.1016/j.jallcom.2006.03.096)
13. W. Xiong, H. Zhang, L. Vitos, M. Selleby, Magnetic phase diagram of the Fe–Ni system, Acta Materialia 59, 521-530 (2011). [doi:10.1016/j.actamat.2010.09.055](https://doi.org/10.1016/j.actamat.2010.09.055)
14. DongEung Kim, James E. Saal, Liangcai Zhou, ShunLi Shang, Yong Du, Zi-Kui Liu, Thermodynamic modeling of fcc order/disorder transformations in the Co–Pt system, Calphad 35, 323-330 (2011). [doi:10.1016/j.calphad.2011.04.005](https://doi.org/10.1016/j.calphad.2011.04.005)
15. Yong-Jie Hu, Yi Wang, Samad A. Firdosy, Kurt E. Star, Jean-Pierre Fleurial, Vilupanur A. Ravi et al., First-principles calculations and thermodynamic modeling of the Yb-Ni binary system, Calphad 59, 207-217 (2017). [doi:10.1016/j.calphad.2017.09.004](https://doi.org/10.1016/j.calphad.2017.09.004)
16. Xuehui An, Qian Li, Jieyu Zhang, Shuanglin Chen, Ying Yang, Phase equilibria of the La–Ni–Cu ternary system at 673 K: Thermodynamic modeling and experimental validation, Calphad 36, 8-15 (2012). [doi:10.1016/j.calphad.2011.10.004](https://doi.org/10.1016/j.calphad.2011.10.004)
17. X.H. An, Q.F. Gu, J.Y. Zhang, S.L. Chen, X.B. Yu, Q. Li, Experimental investigation and thermodynamic reassessment of La–Ni and LaNi5–H systems, Calphad 40, 48-55 (2013). [doi:10.1016/j.calphad.2012.12.002](https://doi.org/10.1016/j.calphad.2012.12.002)
18. Yuling Liu, Shuhong Liu, Cong Zhang, Xingxu Lu, Chong Chen, Yong Du et al., Thermodynamic Assessment of the Bi–Ni and Bi–Ni–X (X = Ag, Cu) Systems, Journal of Elec Materi 45, 1041-1056 (2016). [doi:10.1007/s11664-015-4272-9](https://doi.org/10.1007/s11664-015-4272-9)
19. Jozefien De Keyzer, Gabriele Cacciamani, Nathalie Dupin, Patrick Wollants, Thermodynamic modeling and optimization of the Fe–Ni–Ti system, Calphad 33, 109-123 (2009). [doi:10.1016/j.calphad.2008.10.003](https://doi.org/10.1016/j.calphad.2008.10.003)
20. Chenyang Zhou, Cuiping Guo, Jingbo Li, Changrong Li, Zhenmin Du, Key Experiments and Thermodynamic Description of the Co-Nb-Ni System, Metall Mater Trans A 51, 5892-5911 (2020). [doi:10.1007/s11661-020-05963-2](https://doi.org/10.1007/s11661-020-05963-2)

## Please cite

- R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735569
- 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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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).

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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  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 ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).