Fe–Nb–Ni system

43 accepted literature values from 1 paper(s) (DFT 35, unspecified 8); 0 calculated phase diagram(s). 3 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	35
unspecified	8

Accepted values by property group
Property group	Values
formation	43

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.

Enthalpies of formation, Fe–Nb–Ni system (43)
Phase	Value	Class	Source	Location
D0_22	-54 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 19 report
D0_22	-53.845 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 19 report
D0_22	-37.36 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 13 report
D0_22	-26.45 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 19 report
D0_22	-9.296 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 17 report
D0_22	-6.396 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 16 report
D0_22	-0.834 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 13 report
D0_22	2.736 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 16 report
D0_22	6.389 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 17 report
D0_22	20 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 13 report
D0_22	20 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 20 report
D0_22	20 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 17 report
D0_22	85.433 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 20 report
D0_22	94 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 16 report
D0_22	112.828 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 20 report
D0_22	147.193 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 13 report
D0_22	183.72 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 13 report
D0_a	-45.172 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 8 report
D0_a	-29.487 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 8 report
D0_a	-18.89 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 11 report
D0_a	-8.523 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 10 report
D0_a	-8.5 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 10 report
D0_a	-6.291 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 7 report
D0_a	-6.26 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 7 report
D0_a	-3.967 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 4 report
D0_a	2.841 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 7 report
D0_a	2.871 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 7 report
D0_a	4.941 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 10 report
D0_a	10.689 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 11 report
D0_a	18.872 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 10 report
D0_a	20 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 11 report
D0_a	20 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 8 report
D0_a	20 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 4 report
D0_a	32.336 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 10 report
D0_a	32.56 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 4 report
D0_a	48.5 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 7 report
D0_a	48.975 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 8 report
D0_a	64.66 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 8 report
D0_a	136.746 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 11 report
D0_a	166.326 kJ/mol (basis unstated)	DFT	[1] Mathon 2009	Table 2, p. 10, row 11 report
D8_5	-305.5 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 2 report
D8_5	-239.598 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 2 report
D8_5	-175.676 kJ/mol (basis unstated)	unspecified	[1] Mathon 2009	Table 2, p. 10, row 2 report

Sources

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

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

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). doi: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). doi: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.

@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}
}