La2O3: enthalpy of formation

17 accepted literature formation-enthalpy value(s) (experimental 14, model 3); Materials Project -373.797 kJ/mol-atom (mp-aaaaadke); OQMD -358.204 kJ/mol-atom (oqmd-30652).

Systems: La–O

Literature values

Enthalpy of formation of La2O3 reported in the literature (17)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-2255.2 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Roth 1940	Table 3, p. 3, row 11 report
-2255.2 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Roth 1940	Table 3, p. 3, row 3 report
-1907.4 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Moose 1932	Table 3, p. 3, row 10 report
-1907.4 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Moose 1932	Table 3, p. 3, row 2 report
-1866.1 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Von 1959	Table 3, p. 3, row 5 report
-1866.1 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Von 1959	Table 3, p. 3, row 13 report
-1862.1 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Muthmann 1904 doi	Table 3, p. 3, row 1 report
-1862.1 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Muthmann 1904 doi	Table 3, p. 3, row 9 report
-1797.9 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Gvelesiani 1967	Table 3, p. 3, row 15 report
-1797.9 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Gvelesiani 1967	Table 3, p. 3, row 7 report
-1794.5 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Fitzgibbon 1965 doi	Table 3, p. 3, row 14 report
-1794.5 kJ/mol (basis unstated)	La2O3	298.15	experimental	Solution calorimetry, Born-Haber cycle	La–O	[1] Grundy 2001 cites Fitzgibbon 1965 doi	Table 3, p. 3, row 6 report
-1793.3 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Huber 1953 doi	Table 3, p. 3, row 12 report
-1793.3 kJ/mol (basis unstated)	La2O3	298.15	experimental	Combustion calorimetry	La–O	[1] Grundy 2001 cites Huber 1953 doi	Table 3, p. 3, row 4 report
-1795.5 kJ/mol (basis unstated)	La2O3	298.15	model	Optimized	La–O	[1] Grundy 2001	Table 3, p. 3, row 8 report
-1795.5 kJ/mol (basis unstated)	La2O3	298.15	model	Optimized	La–O	[1] Grundy 2001	Table 3, p. 3, row 16 report
-358.32 kJ/mol-atom	A-La2O3	298.15	model		La–O	[2] ZINKEVICH 2007	Table 6.1, p. 24, row 13 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 La2O3
Value	Unit	Reading	Method (class, basis)	Effective
-2255.2	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-2255.2	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1907.4	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1907.4	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1866.1	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1866.1	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1862.1	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1862.1	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1797.9	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1797.9	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1794.5	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1794.5	kJ/mol (basis unstated)	0.05	16 (solution_reaction_calorimetry, calibrated)	16
-1793.3	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1793.3	kJ/mol (basis unstated)	0.05	5 (combustion_calorimetry, cleaned_below_threshold)	5
-1795.5	kJ/mol (basis unstated)	0.05	19.5 (model_calculated, calibrated)	19.5
-1795.5	kJ/mol (basis unstated)	0.05	19.5 (model_calculated, calibrated)	19.5
-358.32	kJ/mol-atom	1.000e-4	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 La2O3
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaaaadke	-373.797	-3.87414	Ia-3	0	0	no
OQMD	oqmd-30652	-358.204	-3.71254	Ia-3	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

A. Nicholas Grundy, Bengt Hallstedt, Ludwig J. Gauckler, Thermodynamic assessment of the lanthanum-oxygen system, JPE 22, 105-113 (2001). doi:10.1361/105497101770338950
M ZINKEVICH, Thermodynamics of rare earth sesquioxides, Progress in Materials Science 52, 597-647 (2007). doi:10.1016/j.pmatsci.2006.09.002

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}
}