# Ba–Ti system > Ba–Ti system: 26 accepted literature values (crystal structure 15, mixing / partial 11) and 1 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote. HTML: https://data.orchid-project.org/systems/BA-TI.html · Markdown: https://data.orchid-project.org/systems/BA-TI.md 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](https://data.orchid-project.org/literature/systems/BA-TI.json) · [CSV](https://data.orchid-project.org/systems/BA-TI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#BA-TI) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#BA-TI/BaTi-07Sha.json) · [phases (4)](https://data.orchid-project.org/phases/pages/BA-TI.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/BA-TI.html) · [Markdown](https://data.orchid-project.org/systems/BA-TI.md) Table: Accepted values by evidence class | Evidence class | Values | |---|---:| | DFT | 26 | Table: 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. Table: 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](https://doi.org/10.1016/j.jallcom.2006.03.096) | `c2404dc113a3c952165d38dca9b48a2e6e34224410c55f5760d5ef9b9273279d` | [viewer](https://orchid-project.org/phase-diagrams/#BA-TI/BaTi-07Sha.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BaTi-07Sha.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BaTi-07Sha.json) | Table: 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](https://data.orchid-project.org/hulls/dft-mp/BA/BA-TI.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/BA/BA-TI.json) ## Other properties ### Mixing / partial (11) Table: Mixing / partial, Ba–Ti system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Enthalpy of mixing; _printed: ΔH_ | 101.736 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 18; `ORC-YYVHXL2OKB` | | | Enthalpy of mixing; _printed: ΔH_ | 76.684 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 24; `ORC-3KOGNBPLVY` | | | Enthalpy of mixing; _printed: ΔH_ | 67.674 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 33; `ORC-4FQVJUILNX` | | | Enthalpy of mixing; _printed: ΔH_ | 67.674 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 22; `ORC-GICCBXPIHT` | | | Enthalpy of mixing; _printed: ΔH_ | 95.688 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 23; `ORC-JKMQLRBPSY` | | | Enthalpy of mixing; _printed: ΔH_ | 76.684 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 34; `ORC-MOVG7JCBYW` | | | Enthalpy of mixing; _printed: ΔH_ | 99.832 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 28; `ORC-37UKO6JZMI` | | | Enthalpy of mixing; _printed: ΔH_ | 68.979 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 35; `ORC-DEJ64IFSTL` | | | Enthalpy of mixing; _printed: ΔH_ | 81.87 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 29; `ORC-J366A25WGD` | | | Enthalpy of mixing; _printed: ΔH_ | 68.979 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 27; `ORC-L43MJTV7TE` | | | Enthalpy of mixing; _printed: ΔH_ | 81.87 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 36; `ORC-SMVMFG276I` | | ### Crystal structure (15) Table: Crystal structure, Ba–Ti system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Lattice a; _printed: a_ | 4.454 Å | 0 | Bcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 17; `ORC-4GKQFHU5NQ` | | | Lattice a; _printed: a_ | 3.517 Å | 0 | Bcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 32; `ORC-LNCLUDTOKS` | | | Lattice a; _printed: a_ | 3.517 Å | 0 | Bcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 19; `ORC-LX6XBE3LQ6` | | | Lattice a; _printed: a_ | 4.454 Å | 0 | Bcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 31; `ORC-QWYJQLVSPQ` | | | Lattice a; _printed: a_ | 3.923 Å | 0 | Bcc; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 18; `ORC-VCNM3JOHBI` | | | Lattice a; _printed: a_ | 4.917 Å | 0 | Fcc; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 23; `ORC-5F5QLQLPH6` | | | Lattice a; _printed: a_ | 4.434 Å | 0 | Fcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 24; `ORC-BDFKLHHOH7` | | | Lattice a; _printed: a_ | 5.564 Å | 0 | Fcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 33; `ORC-HZZVSOQ6BP` | | | Lattice a; _printed: a_ | 5.564 Å | 0 | Fcc; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 22; `ORC-ODCYK7VZVB` | | | Lattice a; _printed: a_ | 4.434 Å | 0 | Fcc; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 34; `ORC-RZNO5PKBNQ` | | | Lattice a; _printed: a_ | 3.143 Å | 0 | Hcp; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 29; `ORC-7WEXOUDGNT` | | | Lattice a; _printed: a_ | 3.954 Å | 0 | Hcp; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 27; `ORC-M5KZXC45XP` | | | Lattice a; _printed: a_ | 3.529 Å | 0 | Hcp; _alloy: Ti 0.5_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 28; `ORC-NVDZCBLY5E` | | | Lattice a; _printed: a_ | 3.143 Å | 0 | Hcp; _alloy: Ti 0.75_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 36; `ORC-PS4WV4ACJO` | | | Lattice a; _printed: a_ | 3.954 Å | 0 | Hcp; _alloy: Ti 0.25_ | DFT | [1] Shang 2007 | Table 2, p. 2, row 35; `ORC-U23IZG4OHJ` | | ## Sources Reporting papers the values were read from (a value cited from another work names that work in its row). 1. 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](https://doi.org/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). https://doi.org/10.5281/zenodo.23735569 - R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/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). https://doi.org/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). https://doi.org/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. ```bibtex @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} } ``` --- Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).