Ni–Ru system

4 accepted literature values from 1 paper(s) (DFT 4); 3 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (4) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	4

Accepted values by property group
Property group	Values
formation	4

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
NiRu-01Che-LB.tdb	P.-Y. Chevalier, E. Fischer, unpublished, 2001.	`cfb9ea78cdca6ee26eeea2aa7b91d55a78c4d5f2636678699421a39d1aa6e072`	viewer · TDB · JSON
NiRu-04Hal.tdb	S. Hallstroem, J. Phase Equilib. Diffus., 25, 252-54(2004). doi:10.1361/15477030419504	`d86ac6781c062de73ce0afb651fbf2d80fb33fda4b6c3e6d0e37fc7b079999e9`	viewer · TDB · JSON
NiRu-08Hal.tdb	S. Hallstroem, D. Andersson, A. Ruban, J. Agren, Acta Mater., 56, 4062-69(2008). doi:10.1016/j.actamat.2008.04.028	`b00a907636215ffed49ea53e7ca32d80c1236b024aecb2308df2c9ad79e97f61`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
NiRu-01Che-LB.tdb	1807.84	LIQUID (x(Ru) 0.26144) + FCC_A1 (x(Ru) 0.31942) + HCP_A3 (x(Ru) 0.5053)
NiRu-04Hal.tdb	1836.9	LIQUID (x(Ru) 0.29256) + FCC_A1 (x(Ru) 0.34142) + HCP_A3 (x(Ru) 0.52632)
NiRu-08Hal.tdb	1801.84	LIQUID (x(Ru) 0.25525) + FCC_A1 (x(Ru) 0.31029) + HCP_A3 (x(Ru) 0.51555)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull NiRu-01Che-LB · CALPHAD hull NiRu-04Hal

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, Ni–Ru system (4)
Phase	Value	Class	Source	Location
Ni2Ru2	14.6 kJ/mol-atom	DFT	[1] Hallström 2008	Table A.1, p. 7, row 4 report
Ni3Ru	17.56 kJ/mol-atom	DFT	[1] Hallström 2008	Table A.1, p. 7, row 3 report
NiRu	25.35 kJ/mol-atom	DFT	[1] Hallström 2008	Table A.1, p. 7, row 6 report
NiRu3	13.8 kJ/mol-atom	DFT	[1] Hallström 2008	Table A.1, p. 7, row 5 report

Sources

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

Samuel Hallström, David Andersson, Andrei Ruban, John Ågren, Thermodynamic reassessment of the Ni–Ru system and assessment of the Al–Ni–Ru system at 1273–1523 K using ab initio calculations, Acta Materialia 56, 4062-4069 (2008). doi:10.1016/j.actamat.2008.04.028

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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}