Re–Ti system

11 accepted literature values from 1 paper(s) (experimental 3, DFT 8); 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 (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	3
DFT	8

Accepted values by property group
Property group	Values
phase transition	1
crystal structure	10

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
ReTi-12Zac.tdb	C.L. Zacherl, S.-L. Shang, A. Saengdeejing, Z.-K. Liu, Calphad, 38, 71-80(2012). doi:10.1016/j.calphad.2012.05.001	`c87d1fee31a160f838d754d4f80bab570db062118f007a175ada6efeb81cc0f9`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
ReTi-12Zac.tdb	3068	HCP_A3 (x(Ti) 0.0343) + RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.18028)
ReTi-12Zac.tdb	3068	HCP_A3 (x(Ti) 0.03428) + RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.18019)
ReTi-12Zac.tdb	3060.78	RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.2278) + RETI_B2 (x(Ti) 0.5)
ReTi-12Zac.tdb	3060.78	RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.22788) + RETI_B2 (x(Ti) 0.5)
ReTi-12Zac.tdb	3060.78	RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.22788) + RETI_B2 (x(Ti) 0.5)
ReTi-12Zac.tdb	3060.78	RE24TI5_A12 (x(Ti) 0.17241) + LIQUID (x(Ti) 0.22776) + RETI_B2 (x(Ti) 0.5)
ReTi-12Zac.tdb	2040.61	RETI_B2 (x(Ti) 0.5) + BCC_A2 (x(Ti) 0.88093) + LIQUID (x(Ti) 0.92788)
ReTi-12Zac.tdb	2040.61	RETI_B2 (x(Ti) 0.5) + BCC_A2 (x(Ti) 0.88112) + LIQUID (x(Ti) 0.92799)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Other properties

Phase transition (1)

Phase transition, Re–Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	3023 K	3023	congruent transformation	experimental	[1] Zacherl 2012 cites Trzebiatowski 1955	p. 2 report	Re24Ti5 has a congruent melting temperature around 3023 K.

Crystal structure (10)

Crystal structure, Re–Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	9.68 Å		Re24Ti5	DFT	[1] Zacherl 2012 cites Wu 2007 doi	Table 1, p. 4, row 11 report
Lattice a	9.632 Å		Re24Ti5	DFT	[1] Zacherl 2012	Table 1, p. 4, row 10 report
Lattice a	3.121 Å		ReTi-B2 alloy: Ti 0.5	DFT	[1] Zacherl 2012 cites Wu 2007 doi	Table 1, p. 4, row 14 report
Lattice a	3.11 Å		ReTi-B2 alloy: Ti 0.5	DFT	[1] Zacherl 2012	Table 1, p. 4, row 13 report
Lattice a	5.26 Å		ReTi-MoTi alloy: Ti 0.5	DFT	[1] Zacherl 2012	Table 1, p. 4, row 16 report
Lattice a	9.609 Å	298.15	Re24Ti5	experimental	[1] Zacherl 2012 cites Trzebiatowski 1955	Table 1, p. 4, row 12 report
Lattice a	3.118 Å	298.15	ReTi-B2 alloy: Ti 0.5	experimental	[1] Zacherl 2012 cites Dwight 1969	Table 1, p. 4, row 15 report
Molar volume printed: V0	15.04 Å3/atom	0	B2–ReTi alloy: Ti 0.5	DFT	[1] Zacherl 2012	Table 2, p. 4, row 9 report
Molar volume printed: V0	15.21 Å3/atom	0	MoTi–ReTi alloy: Ti 0.5	DFT	[1] Zacherl 2012	Table 2, p. 4, row 10 report
Molar volume printed: V0	15.43 Å3/atom	0	χ-Re24Ti5 alloy: Ti 0.172414	DFT	[1] Zacherl 2012	Table 2, p. 4, row 8 report

Sources

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

Chelsey L. Zacherl, Shun-Li Shang, Arkapol Saengdeejing, Zi-Kui Liu, Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations, Calphad 38, 71-80 (2012). doi:10.1016/j.calphad.2012.05.001

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}
}