RuSi: enthalpy of formation

18 accepted literature formation-enthalpy value(s) (experimental 8, model 10); experimental median -57.9 kJ/mol-atom (n = 8); Materials Project -62.629 kJ/mol-atom (mp-aaaaaahh); OQMD -61.662 kJ/mol-atom (oqmd-14277).

Systems: Ru–Si

Literature values

Enthalpy of formation of RuSi reported in the literature (18)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-58.3 kJ/mol-atom ± 2.1	RuSi	298.15	experimental	High temperature direct synthesis calorimetry	Ru–Si	[1] Liu 2001 cites Meschel 1998 doi	Table 1, p. 2, row 1 report
-58.3 kJ/mol-atom ± 2.1	RuSi	298.15	experimental	High temperature calorimetry	Ru–Si	[2] Long 2009 cites Meschel 1998 doi	Table 1, p. 2, row 6 report
-58.1 kJ/mol-atom ± 3.7	RuSi	298.15	experimental	Solute–solvent drop calorimetry	Ru–Si	[2] Long 2009 cites Topor 1988	Table 1, p. 2, row 7 report
-58.1 kJ/mol-atom ± 3.7	RuSi	298.15	experimental	Solute-solvent drop calorimetry	Ru–Si	[1] Liu 2001 cites Topor 1988	Table 1, p. 2, row 4 report
-57.7 kJ/mol-atom ± 1.4	RuSi	1505	experimental	High temperature calorimetry	Ru–Si	[2] Long 2009 cites Perring 1997 doi	Table 1, p. 2, row 5 report
-57.7 kJ/mol-atom ± 1.4	RuSi	1505	experimental	High temperature calorimetry	Ru–Si	[1] Liu 2001 cites Perring 1997 doi	Table 1, p. 2, row 2 report
-56.5 kJ/mol-atom	RuSi	298.15	experimental		Ru–Si	[1] Liu 2001 cites Kuntz 1997 doi	Table 1, p. 2, row 3 report
-33.4 kJ/mol-atom	RuSi	298.15	experimental		Ru–Si	[1] Liu 2001 cites Pretorius 1978 doi	Table 1, p. 2, row 9 report
-57.641 kJ/mol-atom	RuSi	298.15	model	Assessment	Ru–Si	[2] Long 2009	Table 1, p. 2, row 10 report
-56.454 kJ/mol-atom	RuSi	298.15	model	Assessment	Ru–Si	[2] Long 2009 cites Liu 2001 doi	Table 1, p. 2, row 9 report
-56.454 kJ/mol-atom	RuSi		model	Assessment	Ru–Si	[1] Liu 2001	Table 1, p. 2, row 12 report
-52.988 kJ/mol-atom	RuSi	298.15	model	Assessment	Ru–Si	[2] Long 2009 cites Du 2001	Table 1, p. 2, row 8 report
-43.9 kJ/mol-atom	RuSi		model	Prediction	Ru–Si	[1] Liu 2001 cites Pasturel 1984	Table 1, p. 2, row 6 report
-42 kJ/mol-atom	RuSi		model	Assessment	Ru–Si	[1] Liu 2001 cites Chart 1973	Table 1, p. 2, row 10 report
-39.2 kJ/mol-atom	RuSi		model	Prediction	Ru–Si	[1] Liu 2001 cites Machlin 1981 doi	Table 1, p. 2, row 8 report
-33.4 kJ/mol-atom	RuSi		model	Assessment	Ru–Si	[1] Liu 2001 cites Searcy 1962	Table 1, p. 2, row 11 report
-33.2 kJ/mol-atom	RuSi		model	Estimation	Ru–Si	[1] Liu 2001 cites Petersson 1982 doi	Table 1, p. 2, row 7 report
-32 kJ/mol-atom	RuSi		model	Prediction	Ru–Si	[1] Liu 2001 cites F 1988	Table 1, p. 2, row 5 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 RuSi
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-58.3	kJ/mol-atom	2.1	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-58.3	kJ/mol-atom	2.1	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-58.1	kJ/mol-atom	3.7	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.7
-58.1	kJ/mol-atom	3.7	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.7
-57.7	kJ/mol-atom	1.4	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-57.7	kJ/mol-atom	1.4	0.05	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-56.5	kJ/mol-atom		0.05	3.5 (unknown, calibrated)	3.5
-33.4	kJ/mol-atom		0.05	3.5 (unknown, calibrated)	3.5
-57.641	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-56.454	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-56.454	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-52.988	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-43.9	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-42	kJ/mol-atom		0.5	3.9 (model_calculated, calibrated)	3.9
-39.2	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-33.4	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-33.2	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-32	kJ/mol-atom		0.5	3.9 (model_calculated, calibrated)	3.9

DFT formation energies

Lowest-energy entries at this composition. Materials Project and OQMD use different energy references and are never averaged. 1 eV/atom = 96.485 kJ/mol-atom.

DFT formation energy of RuSi
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaaaaahh	-62.629	-0.649104	P2_13	0	0	no
OQMD	oqmd-14277	-61.662	-0.63908	P213	0	0	no

DFT sources: A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002. doi:10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501-1509; S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010. doi:10.1007/s11837-013-0755-4 (CC BY 4.0);

Sources

Y.Q. Liu, G. Shao, K.P. Homewood, Thermodynamic assessment of the Ru–Si and Os–Si systems, Journal of Alloys and Compounds 320, 72-79 (2001). doi:10.1016/s0925-8388(01)00931-8
Z.H. Long, H.S. Liu, Z.P. Jin, Thermodynamic description of Ru–Ge–Si ternary system, Journal of Alloys and Compounds 479, 262-267 (2009). doi:10.1016/j.jallcom.2009.01.079

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}
}