TiH2: enthalpy of formation

14 accepted literature formation-enthalpy value(s) (experimental 4, model 7, unspecified 3).

Systems: H–Ti

Literature values

Enthalpy of formation of TiH2 reported in the literature (14)
Value	Phase as printed	T (K)	Class	System	Source	Location
-179 kJ/mol (basis unstated)	TiH2	298.15	experimental	H–Ti	[1] Wang 2010 cites Dantzer 1983 doi	Table 3, p. 4, row 1 report
-151.2 kJ/mol (basis unstated) (range -179 to -123.4)	TiH2	298.15	experimental	H–Ti	[2] Königsberger 2000 cites San-Martin 1987	Table 2, p. 2, row 11 report
-137 kJ/mol (basis unstated)	TiH2	298.15	experimental	H–Ti	[1] Wang 2010 cites Takeuchi 1966	Table 3, p. 4, row 2 report
-136.95 kJ/mol (basis unstated)	TiH2	298.15	experimental	H–Ti	[2] Königsberger 2000 cites Dantzer 1983	Table 2, p. 2, row 10 report
-146 kJ/mol (basis unstated)	TiH2		model	H–Ti	[1] Wang 2010 cites Caian 2008	Table 3, p. 4, row 9 report
-142 kJ/mol (basis unstated)	TiH2		model	H–Ti	[1] Wang 2010	Table 3, p. 4, row 10 report
-139 kJ/mol (basis unstated)	TiH2		model	H–Ti	[1] Wang 2010 cites E Konigsberger 2000	Table 3, p. 4, row 7 report
-133.2 kJ/mol (basis unstated)	TiH2		model	H–Ti	[2] Königsberger 2000	Table 2, p. 2, row 9 report
-129 kJ/mol (basis unstated)	TiH2		model	H–Ti	[1] Wang 2010 cites Kivilahti 1987 doi	Table 3, p. 4, row 6 report
-47.3 kJ/mol (basis unstated)	ε-TiH2		model	H–Ti	[3] Ukita 2007	Table 2, p. 5, row 3 report
-47.1 kJ/mol (basis unstated)	δ-TiH2		model	H–Ti	[3] Ukita 2007	Table 2, p. 5, row 2 report
-165 kJ/mol (basis unstated)	TiH2		unspecified	H–Ti	[1] Wang 2010 cites Wang 1996	Table 3, p. 4, row 4 report
-148 kJ/mol (basis unstated)	TiH2		unspecified	H–Ti	[1] Wang 2010 cites Tokujiro 2001	Table 3, p. 4, row 5 report
-134 kJ/mol (basis unstated)	TiH2		unspecified	H–Ti	[1] Wang 2010 cites Shusuke 2007	Table 3, p. 4, row 8 report

Uncertainty budget

Components kept separate, in the value's unit (literature SCHEMA.md, UNCERTAINTY_CALIBRATION.md): effective = max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter). The method floor is the robust between-study scatter of the method class in ORCHID (calibrated) or a documented prior; printed values and printed uncertainties are unchanged.

Uncertainty budget of the literature values of TiH2
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-179	kJ/mol (basis unstated)		0.5	10.5 (unknown, calibrated)	10.5
-151.2	kJ/mol (basis unstated)	27.8	0.06126	10.5 (unknown, calibrated)	27.8
-137	kJ/mol (basis unstated)		0.5	10.5 (unknown, calibrated)	10.5
-136.95	kJ/mol (basis unstated)		0.005	10.5 (unknown, calibrated)	10.5
-146	kJ/mol (basis unstated)		0.5	11.7 (model_calculated, calibrated)	11.7
-142	kJ/mol (basis unstated)		0.5	11.7 (model_calculated, calibrated)	11.7
-139	kJ/mol (basis unstated)		0.5	11.7 (model_calculated, calibrated)	11.7
-133.2	kJ/mol (basis unstated)		0.05	11.7 (model_calculated, calibrated)	11.7
-129	kJ/mol (basis unstated)		0.5	11.7 (model_calculated, calibrated)	11.7
-47.3	kJ/mol (basis unstated)		5.000e-4	11.7 (model_calculated, calibrated)	11.7
-47.1	kJ/mol (basis unstated)		5.000e-4	11.7 (model_calculated, calibrated)	11.7
-165	kJ/mol (basis unstated)		0.5	10.5 (unknown, calibrated)	10.5
-148	kJ/mol (basis unstated)		0.5	10.5 (unknown, calibrated)	10.5
-134	kJ/mol (basis unstated)		0.5	10.5 (unknown, calibrated)	10.5

Sources

Kun Wang, Xiangcheng Kong, Junlin Du, Chonghe Li, Zhilin Li, Zhu Wu, Thermodynamic description of the Ti–H system, Calphad 34, 317-323 (2010). doi:10.1016/j.calphad.2010.07.001
E. Königsberger, G. Eriksson, W.A. Oates, Optimisation of the thermodynamic properties of the Ti–H and Zr–H systems, Journal of Alloys and Compounds 299, 148-152 (2000). doi:10.1016/s0925-8388(99)00816-6
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-Parity: DFT-vs-experiment formation-enthalpy benchmark (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735943
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); 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); G. Kim, S. V. Meschel, P. Nash, W. Chen, Experimental formation enthalpies for intermetallic phases and other inorganic compounds, Scientific Data 4 (2017) 170162, https://doi.org/10.1038/sdata.2017.162; 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. 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_dft_benchmark_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735943},
  url       = {https://doi.org/10.5281/zenodo.23735943},
  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}
}