Ba–Ti system

26 accepted literature values from 1 paper(s) (DFT 26); 1 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 · interactive phase diagram · phases (4) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	26

Accepted values by property group
Property group	Values
mixing / partial	11
crystal structure	15

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
BaTi-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	`c2404dc113a3c952165d38dca9b48a2e6e34224410c55f5760d5ef9b9273279d`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BaTi-07Sha.tdb	1929.11	LIQUID (x(Ti) 0.00552) + LIQUID#2 (x(Ti) 0.99448) + BCC_A2 (x(Ti) 1)
BaTi-07Sha.tdb	1929.11	LIQUID#2 (x(Ti) 0.00552) + LIQUID (x(Ti) 0.99448) + BCC_A2 (x(Ti) 1)
BaTi-07Sha.tdb	1154.99	LIQUID (x(Ti) 2.300e-4) + HCP_A3 (x(Ti) 1) + BCC_A2 (x(Ti) 1)
BaTi-07Sha.tdb	1154.99	LIQUID (x(Ti) 2.300e-4) + BCC_A2 (x(Ti) 1) + HCP_A3 (x(Ti) 1)
BaTi-07Sha.tdb	1154.99	LIQUID (x(Ti) 2.300e-4) + HCP_A3 (x(Ti) 1) + BCC_A2 (x(Ti) 1)
BaTi-07Sha.tdb	1000	BCC_A2 (x(Ti) 0) + LIQUID (x(Ti) 0) + HCP_A3 (x(Ti) 1)
BaTi-07Sha.tdb	999.92	BCC_A2 (x(Ti) 0) + LIQUID (x(Ti) 7.000e-5) + HCP_A3 (x(Ti) 1)
BaTi-07Sha.tdb	999.92	BCC_A2 (x(Ti) 0) + LIQUID (x(Ti) 6.000e-5) + HCP_A3 (x(Ti) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Other properties

Mixing / partial (11)

Mixing / partial, Ba–Ti system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH	101.736 kJ/mol (basis unstated)	Bcc alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 18 report
Enthalpy of mixing printed: ΔH	76.684 kJ/mol (basis unstated)	Fcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 24 report
Enthalpy of mixing printed: ΔH	67.674 kJ/mol (basis unstated)	Fcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 33 report
Enthalpy of mixing printed: ΔH	67.674 kJ/mol (basis unstated)	Fcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 22 report
Enthalpy of mixing printed: ΔH	95.688 kJ/mol (basis unstated)	Fcc alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 23 report
Enthalpy of mixing printed: ΔH	76.684 kJ/mol (basis unstated)	Fcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 34 report
Enthalpy of mixing printed: ΔH	99.832 kJ/mol (basis unstated)	Hcp alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 28 report
Enthalpy of mixing printed: ΔH	68.979 kJ/mol (basis unstated)	Hcp alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 35 report
Enthalpy of mixing printed: ΔH	81.87 kJ/mol (basis unstated)	Hcp alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 29 report
Enthalpy of mixing printed: ΔH	68.979 kJ/mol (basis unstated)	Hcp alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 27 report
Enthalpy of mixing printed: ΔH	81.87 kJ/mol (basis unstated)	Hcp alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 36 report

Crystal structure (15)

Crystal structure, Ba–Ti system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: a	4.454 Å	Bcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 17 report
Lattice a printed: a	3.517 Å	Bcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 32 report
Lattice a printed: a	3.517 Å	Bcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 19 report
Lattice a printed: a	4.454 Å	Bcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 31 report
Lattice a printed: a	3.923 Å	Bcc alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 18 report
Lattice a printed: a	4.917 Å	Fcc alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 23 report
Lattice a printed: a	4.434 Å	Fcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 24 report
Lattice a printed: a	5.564 Å	Fcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 33 report
Lattice a printed: a	5.564 Å	Fcc alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 22 report
Lattice a printed: a	4.434 Å	Fcc alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 34 report
Lattice a printed: a	3.143 Å	Hcp alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 29 report
Lattice a printed: a	3.954 Å	Hcp alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 27 report
Lattice a printed: a	3.529 Å	Hcp alloy: Ti 0.5	DFT	[1] Shang 2007	Table 2, p. 2, row 28 report
Lattice a printed: a	3.143 Å	Hcp alloy: Ti 0.75	DFT	[1] Shang 2007	Table 2, p. 2, row 36 report
Lattice a printed: a	3.954 Å	Hcp alloy: Ti 0.25	DFT	[1] Shang 2007	Table 2, p. 2, row 35 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}
}