Co–Ni system

25 accepted literature values from 2 paper(s) (DFT 25); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	25

Accepted values by property group
Property group	Values
formation	12
mixing / partial	10
crystal structure	3

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
CoNi-24Per.tdb	J.C. Pereira dos Santos, S. Griesemer, N. Dupin, U.R. Kattner, C. Liu, D. Ivanova, T. Hammerschmidt, S.G. Fries, C. Wolverton, C.E. Campbell, J. Phase Equilib. Diffus., 45, 330-57(2024). doi:10.1007/s11669-023-01079-3	`969df9adb5e23ceb7b8b9b9a5eefeeb72a704ff79a136df77658dc1e9f6484d8`	viewer · TDB · JSON
CoNi-87Fer-LB.tdb	A. Fernandez Guillermet, Z. Metallkd., 78, 639-47(1987). doi:10.1515/ijmr-1987-780905	`b0243f66a4c704e5c6e10753e8d605790aa34b670e2ac18fa3827da2efac9d90`	viewer · TDB · JSON

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CoNi-87Fer-LB

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, Co–Ni system (8)
Phase	Value	T (K)	Class	Source	Location
B2	5.66 kJ/mol-atom	298.15	DFT	[1] Liu 2016	Table 4, p. 38, row 10 report
B2-β	5.66 kJ/mol-atom	0	DFT	[1] Liu 2016	Table 6, p. 40, row 14 report
L12-γ’	-0.94 kJ/mol-atom	0	DFT	[1] Liu 2016	Table 7, p. 41, row 13 report
L12-γ’	0.9 kJ/mol-atom	0	DFT	[1] Liu 2016	Table 7, p. 41, row 15 report
γ'	-0.94 kJ/mol-atom	0	DFT	[1] Liu 2016	Table 7, p. 41, row 13 report
γ'	0.9 kJ/mol-atom	0	DFT	[1] Liu 2016	Table 7, p. 41, row 15 report
γ'-L12	0.39 kJ/mol-atom	298.15	DFT	[1] Liu 2016	Table 4, p. 38, row 29 report
γ'-L12	1.321 kJ/mol-atom	298.15	DFT	[1] Liu 2016	Table 4, p. 38, row 30 report

Other properties

Formation (4)

Formation, Co–Ni system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔfS298	-0.303 J/mol-atom/K	298.15	γ'-L12 alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 4, p. 38, row 29 report
Entropy of formation printed: ΔfS298	-0.192 J/mol-atom/K	298.15	γ'-L12 alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 4, p. 38, row 30 report
Gibbs energy of formation printed: ΔfG298	0.48 kJ/mol-atom	298.15	γ'-L12 alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 4, p. 38, row 29 report
Gibbs energy of formation printed: ΔfG298	1.378 kJ/mol-atom	298.15	γ'-L12 alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 4, p. 38, row 30 report

Mixing / partial (10)

Mixing / partial, Co–Ni system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔHmix	-0.81 kJ/mol-atom	0	A2 alloy: Co 0.5, Ni 0.5	DFT	[1] Liu 2016	Table 6, p. 40, row 14 report
Enthalpy of mixing printed: ΔHmix	-0.37 kJ/mol-atom	0	A2 alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 6, p. 40, row 15 report
Enthalpy of mixing printed: ΔHmix	0.2 kJ/mol-atom	0	A2 alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 6, p. 40, row 13 report
Enthalpy of mixing printed: ΔHmix	5.66 kJ/mol-atom	0	B2 alloy: Co 0.5, Ni 0.5	DFT	[1] Liu 2016	Table 8, p. 42, row 27 report
Enthalpy of mixing printed: ΔmixH^SQS	-0.991 kJ/mol-atom		fcc alloy: Co 0.5, Ni 0.5	DFT	[2] Bracq 2021	Table 1, p. 4, row 4 report
Enthalpy of mixing printed: ΔHmix	-0.48 kJ/mol-atom	0	γ alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 7, p. 41, row 13 report
Enthalpy of mixing printed: ΔHmix	-0.77 kJ/mol-atom	0	γ alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 7, p. 41, row 15 report
Enthalpy of mixing printed: ΔHmix	-0.67 kJ/mol-atom	0	γ alloy: Co 0.5, Ni 0.5	DFT	[1] Liu 2016	Table 7, p. 41, row 14 report
Enthalpy of mixing printed: ΔHmix	0.9 kJ/mol-atom	0	γ’ alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 9, p. 43, row 15 report
Enthalpy of mixing printed: ΔHmix	-0.94 kJ/mol-atom	0	γ’ alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 9, p. 43, row 18 report

Crystal structure (3)

Crystal structure, Co–Ni system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Molar volume printed: V0	11.107 Å3/atom	298.15	B2 CoNi alloy: Co 0.5, Ni 0.5	DFT	[1] Liu 2016	Table 2, p. 36, row 14 report
Molar volume printed: V0	10.927 Å3/atom	298.15	γ'-L12 Co3Ni alloy: Co 0.75, Ni 0.25	DFT	[1] Liu 2016	Table 2, p. 36, row 31 report
Molar volume printed: V0	10.947 Å3/atom	298.15	γ'-L12 Ni3Co alloy: Co 0.25, Ni 0.75	DFT	[1] Liu 2016	Table 2, p. 36, row 32 report

Sources

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

Xuan L. Liu, Greta Lindwall, Thomas Gheno, Zi-Kui Liu, Thermodynamic modeling of Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary systems towards a description for Al–Co–Cr–Ni, Calphad 52, 125-142 (2016). doi:10.1016/j.calphad.2015.12.007
Guillaume Bracq, Jean-Claude Crivello, Mathilde Laurent-Brocq, Jean-Marc Joubert, Ivan Guillot, What is the Enthalpy Contribution to the Stabilization of the Co–Cr–Fe–Mn–Ni Faced-centered Cubic Solid Solution?, J. Phase Equilib. Diffus. 42, 561-570 (2021). doi:10.1007/s11669-021-00922-9

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}
}