Ni–Si–Ti system

20 accepted literature values from 1 paper(s) (DFT 12, unspecified 8); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
DFT	12
unspecified	8

Accepted values by property group
Property group	Values
formation	4
crystal structure	16

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, Ni–Si–Ti system (4)
Phase	Value	Class	Source	Location
E-NiSiTi	-81.86 kJ/mol-atom	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 18 report
G'-Ni3SiTi2	-59.2 kJ/mol-atom	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 16 report
G-Ni16Si7Ti6	-54.67 kJ/mol-atom	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 15 report
V-Ni4Si7Ti4	-68.45 kJ/mol-atom	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 17 report

Other properties

Crystal structure (16)

Crystal structure, Ni–Si–Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a	6.1619 Å	0	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 18 report
Lattice a printed: a	4.8235 Å	0	G'-Ni3SiTi2 alloy: Si 0.166667, Ti 0.333333	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 16 report
Lattice a printed: a	11.3232 Å	0	G-Ni16Si7Ti6 alloy: Si 0.241379, Ti 0.206897	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 15 report
Lattice a printed: a	12.6079 Å	0	V-Ni4Si7Ti4 alloy: Si 0.466667, Ti 0.266667	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 17 report
Lattice a	6.1484 Å	298.15	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 16 report
Lattice a	4.79 Å	298.15	G'-Ni3SiTi2 alloy: Si 0.166667, Ti 0.333333	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 14 report
Lattice a	11.187 Å	298.15	G-Ni16Si7Ti6 alloy: Si 0.241379, Ti 0.206897	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 13 report
Lattice a	12.5229 Å	298.15	V-Ni4Si7Ti4 alloy: Si 0.466667, Ti 0.266667	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 15 report
Lattice b printed: b	3.6779 Å	0	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 18 report
Lattice b	3.6698 Å	298.15	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 16 report
Lattice c printed: c	7.0327 Å	0	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 18 report
Lattice c printed: c	7.6027 Å	0	G'-Ni3SiTi2 alloy: Si 0.166667, Ti 0.333333	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 16 report
Lattice c printed: c	4.9678 Å	0	V-Ni4Si7Ti4 alloy: Si 0.466667, Ti 0.266667	DFT	[1] Tokunaga 2004	Table 2, p. 3, row 17 report
Lattice c	7.0173 Å	298.15	E-NiSiTi alloy: Si 0.333333, Ti 0.333333	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 16 report
Lattice c	7.55 Å	298.15	G'-Ni3SiTi2 alloy: Si 0.166667, Ti 0.333333	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 14 report
Lattice c	4.9343 Å	298.15	V-Ni4Si7Ti4 alloy: Si 0.466667, Ti 0.266667	unspecified	[1] Tokunaga 2004	Table 1, p. 3, row 15 report

Sources

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

Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). doi:10.2320/matertrans.45.1507

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}
}