Hf–O–Si system

7 accepted literature values from 1 paper(s) (experimental 1, DFT 6); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	1
DFT	6

Accepted values by property group
Property group	Values
invariant reaction	1
crystal structure	6

Invariant reactions (literature)

Invariant reactions reported in the literature for the Hf–O–Si system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
2023	peritectic: Liquid +HfO2 (Monoclinic) → HfSiO4		experimental	[1] Shin 2006	p. 9 report	The enthalpy of formation of HfSiO4 is obtained from first-principles calculations and the entropy of formation is evaluated from its peritectic reaction, Liquid +HfO2 (Monoclinic) → HfSiO4 , at 2023 K as reported by

Other properties

Crystal structure (6)

Crystal structure, Hf–O–Si system
Property	Value	Phases / composition	Class	Source	Location
Lattice a	3.198 Å	HCP_A3 (Hf) alloy: O 0, Si 0	DFT	[1] Shin 2006	Table 1, p. 3, row 1 report
Lattice a	6.616 Å	HfSiO4 alloy: O 0.666667, Si 0.166667	DFT	[1] Shin 2006	Table 1, p. 3, row 8 report
Lattice b	3.198 Å	HCP_A3 (Hf) alloy: O 0, Si 0	DFT	[1] Shin 2006	Table 1, p. 3, row 1 report
Lattice b	6.616 Å	HfSiO4 alloy: O 0.666667, Si 0.166667	DFT	[1] Shin 2006	Table 1, p. 3, row 8 report
Lattice c	5.053 Å	HCP_A3 (Hf) alloy: O 0, Si 0	DFT	[1] Shin 2006	Table 1, p. 3, row 1 report
Lattice c	6.004 Å	HfSiO4 alloy: O 0.666667, Si 0.166667	DFT	[1] Shin 2006	Table 1, p. 3, row 8 report

Sources

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

Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu, Thermodynamic modeling of the Hf–Si–O system, Calphad 30, 375-386 (2006). doi:10.1016/j.calphad.2006.08.006

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}
}