Ba–Ni system

37 accepted literature values from 1 paper(s) (DFT 37); 1 calculated phase diagram(s). 4 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	37

Accepted values by property group
Property group	Values
mixing / partial	23
crystal structure	14

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
BaNi-07Sha.tdb	S. Shang, Z.-J. Liu, Z.-K. Liu, J. Alloys Compd., 430, 188-93(2007). doi:10.1016/j.jallcom.2006.03.096	`21285447bde5f7eebd6add2ca02b3fb757e553af3ee63af4970c9ea06f666420`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BaNi-07Sha.tdb	1727.96	LIQUID#2 (x(Ni) 0.16436) + LIQUID (x(Ni) 0.9998) + FCC_A1 (x(Ni) 1)
BaNi-07Sha.tdb	1727.96	LIQUID#2 (x(Ni) 0.16436) + LIQUID (x(Ni) 0.9998) + FCC_A1 (x(Ni) 1)
BaNi-07Sha.tdb	1000	BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0) + FCC_A1 (x(Ni) 1)
BaNi-07Sha.tdb	873	BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0.06503) + FCC_A1 (x(Ni) 1)
BaNi-07Sha.tdb	873	BCC_A2 (x(Ni) 0) + LIQUID (x(Ni) 0.06492) + FCC_A1 (x(Ni) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Other properties

Mixing / partial (23)

Mixing / partial, Ba–Ni system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH (M)	0 kJ/mol (basis unstated)	Bcc alloy: Ni 1	DFT	[1] Shang 2007	Table 1, p. 2, row 5 report
Enthalpy of mixing printed: ΔH	78.346 kJ/mol (basis unstated)	Bcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 3 report
Enthalpy of mixing printed: ΔH (M)	79.098 kJ/mol (basis unstated)	Bcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 3 report
Enthalpy of mixing printed: ΔH (M)	0 kJ/mol (basis unstated)	Bcc alloy: Ni 0	DFT	[1] Shang 2007	Table 1, p. 2, row 1 report
Enthalpy of mixing printed: ΔH	81.035 kJ/mol (basis unstated)	Bcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 4 report
Enthalpy of mixing printed: ΔH (M)	81.903 kJ/mol (basis unstated)	Bcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 4 report
Enthalpy of mixing printed: ΔH	54.31 kJ/mol (basis unstated)	Bcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 2 report
Enthalpy of mixing printed: ΔH (M)	54.661 kJ/mol (basis unstated)	Bcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 2 report
Enthalpy of mixing printed: ΔH (M)	55.202 kJ/mol (basis unstated)	Fcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 7 report
Enthalpy of mixing printed: ΔH	53.844 kJ/mol (basis unstated)	Fcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 7 report
Enthalpy of mixing printed: ΔH	80.449 kJ/mol (basis unstated)	Fcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 8 report
Enthalpy of mixing printed: ΔH (M)	82.78 kJ/mol (basis unstated)	Fcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 8 report
Enthalpy of mixing printed: ΔH (M)	86.634 kJ/mol (basis unstated)	Fcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 9 report
Enthalpy of mixing printed: ΔH	83.289 kJ/mol (basis unstated)	Fcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 9 report
Enthalpy of mixing printed: ΔH (M)	0 kJ/mol (basis unstated)	Fcc alloy: Ni 1	DFT	[1] Shang 2007	Table 1, p. 2, row 10 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Fcc alloy: Ni 0	DFT	[1] Shang 2007	Table 1, p. 2, row 6 report
Enthalpy of mixing printed: ΔHa (M)	54.928 kJ/mol (basis unstated)	Hcp alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 16 report
Enthalpy of mixing printed: ΔHa (M)	85.008 kJ/mol (basis unstated)	Hcp alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 18 report
Enthalpy of mixing printed: ΔH a (M)	54.928 kJ/mol (basis unstated)	Hcp alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 12 report
Enthalpy of mixing printed: ΔH a (M)	85.008 kJ/mol (basis unstated)	Hcp alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 14 report
Enthalpy of mixing printed: ΔH a (M)	0 kJ/mol (basis unstated)	Hcp alloy: Ni 0	DFT	[1] Shang 2007	Table 1, p. 2, row 11 report
Enthalpy of mixing printed: ΔH a (M)	81.83 kJ/mol (basis unstated)	Hcp alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 13 report
Enthalpy of mixing printed: ΔHa (M)	81.83 kJ/mol (basis unstated)	Hcp alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 17 report

Crystal structure (14)

Crystal structure, Ba–Ni system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: a	4.418 Å	Bcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 2 report
Lattice a printed: a (M)	4.423 Å	Bcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 2 report
Lattice a printed: a	3.774 Å	Bcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 3 report
Lattice a printed: a (M)	3.776 Å	Bcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 3 report
Lattice a printed: a (M)	4.999 Å	Bcc alloy: Ni 0	DFT	[1] Shang 2007	Table 1, p. 2, row 1 report
Lattice a printed: a (M)	3.303 Å	Bcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 4 report
Lattice a printed: a	3.3 Å	Bcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 4 report
Lattice a printed: a (M)	4.158 Å	Fcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 9 report
Lattice a printed: a	4.154 Å	Fcc alloy: Ni 0.75	DFT	[1] Shang 2007	Table 1, p. 2, row 9 report
Lattice a printed: a (M)	4.735 Å	Fcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 8 report
Lattice a printed: a	4.732 Å	Fcc alloy: Ni 0.5	DFT	[1] Shang 2007	Table 1, p. 2, row 8 report
Lattice a printed: a	6.316 Å	Fcc alloy: Ni 0	DFT	[1] Shang 2007	Table 1, p. 2, row 6 report
Lattice a printed: a	5.548 Å	Fcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 7 report
Lattice a printed: a (M)	5.551 Å	Fcc alloy: Ni 0.25	DFT	[1] Shang 2007	Table 1, p. 2, row 7 report

Sources

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

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

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}
}