SmTi3: enthalpy of formation

5 accepted literature formation-enthalpy value(s) (DFT 5).

Literature values

Enthalpy of formation of SmTi3 reported in the literature (5)
Value	Phase as printed	Class	Method	System	Source	Location
28.1351 kJ/mol-atom	D0₂₂ SmTi₃	DFT	DFT	Sm–Ti	[1] Saengdeejing 2021	Table 1, p. 5, row 25 report
28.1448 kJ/mol-atom	I4/mmm SmTi₃	DFT	DFT	Sm–Ti	[1] Saengdeejing 2021	Table 1, p. 5, row 35 report
29.3026 kJ/mol-atom	L1₂ SmTi₃	DFT	DFT	Sm–Ti	[1] Saengdeejing 2021	Table 1, p. 5, row 23 report
30.1903 kJ/mol-atom	D0₂₃ SmTi₃	DFT	DFT	Sm–Ti	[1] Saengdeejing 2021	Table 1, p. 5, row 27 report
32.5542 kJ/mol-atom	D0₃ SmTi₃	DFT	DFT	Sm–Ti	[1] Saengdeejing 2021	Table 1, p. 5, row 33 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 SmTi3
Value	Unit	Reading	Method (class, basis)	Effective
28.1351	kJ/mol-atom	0.004824	8.395 (dft, calibrated)	8.395
28.1448	kJ/mol-atom	0.004824	8.395 (dft, calibrated)	8.395
29.3026	kJ/mol-atom	0.004824	8.395 (dft, calibrated)	8.395
30.1903	kJ/mol-atom	0.004824	8.395 (dft, calibrated)	8.395
32.5542	kJ/mol-atom	0.004824	8.395 (dft, calibrated)	8.395

Sources

Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021). doi:10.1016/j.calphad.2021.102357

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}
}