H–Ti–Zr system

83 accepted literature values from 1 paper(s) (DFT 83); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
DFT	83

Accepted values by property group
Property group	Values
formation	16
crystal structure	67

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, H–Ti–Zr system (16)
Phase	Value	Class	Source	Location
α	-38.25 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 58 report
α	-31.81 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
α	-31.65 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 40 report
α	-31.24 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
α	-27.79 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
α	-26.46 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
α	-24.41 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
α	-23.43 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
α	0 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 53 report
β	7.6 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 60 report
β	10.5 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 45 report
β	13.6 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
β	15 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report
β	22.2 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
β	45.3 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 68 report
β	56.9 kJ/mol (basis unstated)	DFT	[1] Ukita 2007	Table 1, p. 4, row 52 report

Other properties

Crystal structure (67)

Crystal structure, H–Ti–Zr system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: lattice parameter a	5.501 Å	α alloy: H 0.429	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
Lattice a printed: lattice parameter a	15.33 Å	α alloy: H 0.625	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
Lattice a printed: lattice parameter a	14.906 Å	α alloy: H 0.455	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
Lattice a printed: lattice parameter a	15.601 Å	α alloy: H 0.647	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
Lattice a printed: lattice parameter a	5.457 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
Lattice a printed: lattice parameter a	5.817 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 58 report
Lattice a printed: lattice parameter a	2.827 Å	α alloy: H 0.6	DFT	[1] Ukita 2007	Table 1, p. 4, row 40 report
Lattice a printed: lattice parameter a	4.777 Å	α alloy: H 0.428	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
Lattice a printed: lattice parameter a	5.06 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
Lattice a printed: lattice parameter a	5.544 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
Lattice a printed: lattice parameter a	6.63 Å	β alloy: H 0.846	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report
Lattice b printed: lattice parameter b	3.409 Å	α alloy: H 0.429	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
Lattice b printed: lattice parameter b	3.037 Å	α alloy: H 0.625	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
Lattice b printed: lattice parameter b	3.025 Å	α alloy: H 0.455	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
Lattice b printed: lattice parameter b	2.99 Å	α alloy: H 0.647	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
Lattice b printed: lattice parameter b	2.919 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
Lattice b printed: lattice parameter b	3.272 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 58 report
Lattice b printed: lattice parameter b	5.449 Å	α alloy: H 0.6	DFT	[1] Ukita 2007	Table 1, p. 4, row 40 report
Lattice b printed: lattice parameter b	3.067 Å	α alloy: H 0.428	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
Lattice b printed: lattice parameter b	3.464 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
Lattice b printed: lattice parameter b	3.807 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
Lattice b printed: lattice parameter b	3.592 Å	β alloy: H 0.846	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report
Lattice c printed: lattice parameter c	5.536 Å	α alloy: H 0.429	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
Lattice c printed: lattice parameter c	5.347 Å	α alloy: H 0.625	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
Lattice c printed: lattice parameter c	4.647 Å	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 35 report
Lattice c printed: lattice parameter c	4.84 Å	α alloy: H 0.455	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
Lattice c printed: lattice parameter c	5.515 Å	α alloy: H 0.647	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
Lattice c printed: lattice parameter c	5.269 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
Lattice c printed: lattice parameter c	5.186 Å	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 53 report
Lattice c printed: lattice parameter c	5.775 Å	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 58 report
Lattice c printed: lattice parameter c	5.15 Å	α alloy: H 0.6	DFT	[1] Ukita 2007	Table 1, p. 4, row 40 report
Lattice c printed: lattice parameter c	4.946 Å	α alloy: H 0.428	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
Lattice c printed: lattice parameter c	3.86 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
Lattice c printed: lattice parameter c	3.763 Å	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
Lattice c printed: lattice parameter c	6.017 Å	β alloy: H 0.846	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report
lattice unspecified axis printed: β	103.75 °	α alloy: H 0.429	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.429	DFT	[1] Ukita 2007	Table 1, p. 4, row 56 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.625	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
lattice unspecified axis printed: β	89.7 °	α alloy: H 0.625	DFT	[1] Ukita 2007	Table 1, p. 4, row 41 report
lattice unspecified axis printed: lattice parameter a=b	2.916 Å	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 35 report
lattice unspecified axis printed: γ	120 °	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 35 report
lattice unspecified axis printed: α	90 °	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 35 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.455	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
lattice unspecified axis printed: β	88.4 °	α alloy: H 0.455	DFT	[1] Ukita 2007	Table 1, p. 4, row 38 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.647	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
lattice unspecified axis printed: β	87.27 °	α alloy: H 0.647	DFT	[1] Ukita 2007	Table 1, p. 4, row 43 report
lattice unspecified axis printed: β	88.38 °	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 42 report
lattice unspecified axis printed: lattice parameter a=b	3.233 Å	α alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 53 report
lattice unspecified axis printed: β	88.92 °	α alloy: H 0.636	DFT	[1] Ukita 2007	Table 1, p. 4, row 58 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.6	DFT	[1] Ukita 2007	Table 1, p. 4, row 40 report
lattice unspecified axis printed: β	88.15 °	α alloy: H 0.428	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
lattice unspecified axis printed: α	90 °	α alloy: H 0.428	DFT	[1] Ukita 2007	Table 1, p. 4, row 37 report
lattice unspecified axis printed: lattice parameter a=b=c	3.898 Å	β alloy: H 0.857	DFT	[1] Ukita 2007	Table 1, p. 4, row 52 report
lattice unspecified axis printed: α	90 °	β alloy: H 0.857	DFT	[1] Ukita 2007	Table 1, p. 4, row 52 report
lattice unspecified axis printed: lattice parameter a=b=c	3.563 Å	β alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 60 report
lattice unspecified axis printed: α	90 °	β alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 60 report
lattice unspecified axis printed: β	89.85 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
lattice unspecified axis printed: γ	90.48 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
lattice unspecified axis printed: α	63.44 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 51 report
lattice unspecified axis printed: lattice parameter a=b=c	4.109 Å	β alloy: H 0.857	DFT	[1] Ukita 2007	Table 1, p. 4, row 68 report
lattice unspecified axis printed: α	60.94 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
lattice unspecified axis printed: γ	91.78 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
lattice unspecified axis printed: β	90.51 °	β alloy: H 0.833	DFT	[1] Ukita 2007	Table 1, p. 4, row 66 report
lattice unspecified axis printed: lattice parameter a=b=c	3.231 Å	β alloy: H 0	DFT	[1] Ukita 2007	Table 1, p. 4, row 45 report
lattice unspecified axis printed: α	90 °	β alloy: H 0.846	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report
lattice unspecified axis printed: β	91.62 °	β alloy: H 0.846	DFT	[1] Ukita 2007	Table 1, p. 4, row 67 report

Sources

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

Shusuke Ukita, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ti-H and Zr-H Binary Phase Diagrams, J. Japan Inst. Metals 71, 721-729 (2007). doi:10.2320/jinstmet.71.721

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 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_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}
}