SbZn: enthalpy of formation

27 accepted literature formation-enthalpy value(s) (experimental 15, model 12); experimental median -12.845 kJ/mol-atom (n = 15); Materials Project -11.964 kJ/mol-atom (mp-aaaaabcz); OQMD -3.464 kJ/mol-atom (oqmd-2031988).

Systems: Sb–Zn

Literature values

Enthalpy of formation of SbZn reported in the literature (27)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-20.011 kJ/mol-atom	SbZn	804	experimental	emf	Sb–Zn	[1] Li 2007 cites DeWitt 1939 doi	Table 4, p. 4, row 10 report
-20.011 kJ/mol-atom	SbZn	804.15	experimental	EMF	Sb–Zn	[2] Zhang 2022 cites Seltz 1940 doi	Table 8, p. 14, row 11 report
-15.052 kJ/mol-atom	SbZn	298.15	experimental	Calorimetry	Sb–Zn	[1] Li 2007 cites Oelsen 1937	Table 4, p. 4, row 12 report
-15.052 kJ/mol-atom	SbZn	298.15	experimental	Calorimetry	Sb–Zn	[2] Zhang 2022 cites Oelsen 1937	Table 8, p. 14, row 2 report
-14.853 kJ/mol-atom	SbZn	298.15	experimental	Vapor	Sb–Zn	[1] Li 2007 cites Hirayama 1963 doi	Table 4, p. 4, row 6 report
-14.853 kJ/mol-atom	SbZn	298.15	experimental	Vapor	Sb–Zn	[2] Zhang 2022 cites Hirayama 1963 doi	Table 8, p. 14, row 3 report
-12.845 kJ/mol-atom	SbZn	298.15	experimental	emf	Sb–Zn	[1] Li 2007 cites DeWitt 1939 doi	Table 4, p. 4, row 8 report
-12.845 kJ/mol-atom	SbZn	298.15	experimental	EMF	Sb–Zn	[2] Zhang 2022 cites Seltz 1940 doi	Table 8, p. 14, row 1 report
-11.89 kJ/mol-atom	SbZn	750.15	experimental	EMF	Sb–Zn	[2] Zhang 2022 cites Zabdyr 1981	Table 8, p. 14, row 9 report
-11.89 kJ/mol-atom	SbZn	750	experimental	emf	Sb–Zn	[1] Li 2007 cites Zabdyr 1981	Table 4, p. 4, row 14 report
-11.89 kJ/mol-atom	β(SbZn)	723.15	experimental		Sb–Zn	[3] Liu 2000 cites Zabdyr 1981	Table 2, p. 3, row 11 report
-10.9 kJ/mol-atom	SbZn	420.15	experimental	EMF	Sb–Zn	[2] Zhang 2022 cites Goryacheva 1997	Table 8, p. 14, row 5 report
-10.9 kJ/mol-atom	SbZn	420	experimental	emf	Sb–Zn	[1] Li 2007 cites Goryacheva 1997	Table 4, p. 4, row 2 report
-9.517 kJ/mol-atom ± 0.627	β(SbZn)	700.15	experimental		Sb–Zn	[3] Liu 2000 cites Hultgren 1973	Table 2, p. 3, row 12 report
-9.517 kJ/mol-atom	SbZn	700.15	experimental	EMF	Sb–Zn	[2] Zhang 2022 cites Hultgren 1978	Table 8, p. 14, row 7 report
-25.086 kJ/mol-atom	SbZn	804	model		Sb–Zn	[1] Li 2007	Table 4, p. 4, row 9 report
-24.9572 kJ/mol-atom	SbZn	804.15	model	Calculation	Sb–Zn	[2] Zhang 2022	Table 8, p. 14, row 12 report
-15.149 kJ/mol-atom	SbZn	750	model		Sb–Zn	[1] Li 2007	Table 4, p. 4, row 13 report
-15.102 kJ/mol-atom	SbZn	750.15	model	Calculation	Sb–Zn	[2] Zhang 2022	Table 8, p. 14, row 10 report
-11.541 kJ/mol-atom	β(SbZn)		model		Sb–Zn	[3] Liu 2000	Table 2, p. 3, row 10 report
-11.4879 kJ/mol-atom	SbZn	298.15	model	Calculation	Sb–Zn	[2] Zhang 2022	Table 8, p. 14, row 4 report
-11.4875 kJ/mol-atom	SbZn	420.15	model	Calculation	Sb–Zn	[2] Zhang 2022	Table 8, p. 14, row 6 report
-11.459 kJ/mol-atom	SbZn	298.15	model		Sb–Zn	[1] Li 2007	Table 4, p. 4, row 7 report
-11.455 kJ/mol-atom	SbZn	420	model		Sb–Zn	[1] Li 2007	Table 4, p. 4, row 1 report
-11.455 kJ/mol-atom	SbZn	700	model		Sb–Zn	[1] Li 2007	Table 4, p. 4, row 3 report
-11.4395 kJ/mol-atom	SbZn	700.15	model	Calculation	Sb–Zn	[2] Zhang 2022	Table 8, p. 14, row 8 report
-9.517 kJ/mol-atom	SbZn	700	model	Evaluated	Sb–Zn	[1] Li 2007 cites Hulgren 1973	Table 4, p. 4, row 4 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 SbZn
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-20.011	kJ/mol-atom		5.000e-4	4.6 (emf, cleaned_below_threshold)	4.6
-20.011	kJ/mol-atom		5.000e-4	4.6 (emf, cleaned_below_threshold)	4.6
-15.052	kJ/mol-atom		5.000e-4	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-15.052	kJ/mol-atom		5.000e-4	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-14.853	kJ/mol-atom		5.000e-4	4.2 (kems_vapour, calibrated)	4.2
-14.853	kJ/mol-atom		5.000e-4	4.2 (kems_vapour, calibrated)	4.2
-12.845	kJ/mol-atom		5.000e-4	4.6 (emf, cleaned_below_threshold)	4.6
-12.845	kJ/mol-atom		5.000e-4	4.6 (emf, cleaned_below_threshold)	4.6
-11.89	kJ/mol-atom		0.005	4.6 (emf, cleaned_below_threshold)	4.6
-11.89	kJ/mol-atom		0.005	4.6 (emf, cleaned_below_threshold)	4.6
-11.89	kJ/mol-atom		0.005	3.5 (unknown, calibrated)	3.5
-10.9	kJ/mol-atom		0.05	4.6 (emf, cleaned_below_threshold)	4.6
-10.9	kJ/mol-atom		0.05	4.6 (emf, cleaned_below_threshold)	4.6
-9.517	kJ/mol-atom	0.627	5.000e-4	3.5 (unknown, calibrated)	3.5
-9.517	kJ/mol-atom		5.000e-4	4.6 (emf, cleaned_below_threshold)	4.6
-25.086	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-24.9572	kJ/mol-atom		5.000e-5	3.9 (model_calculated, calibrated)	3.9
-15.149	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-15.102	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.541	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.4879	kJ/mol-atom		5.000e-5	3.9 (model_calculated, calibrated)	3.9
-11.4875	kJ/mol-atom		5.000e-5	3.9 (model_calculated, calibrated)	3.9
-11.459	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.455	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.455	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.4395	kJ/mol-atom		5.000e-5	3.9 (model_calculated, calibrated)	3.9
-9.517	kJ/mol-atom		5.000e-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 SbZn
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaaaabcz	-11.964	-0.123996	Pbca	0	0	no
OQMD	oqmd-2031988	-3.464	-0.0359	Pbca	0	0	yes

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

Jing-Bo Li, Marie-Christine Record, Jean-Claude Tedenac, A thermodynamic assessment of the Sb–Zn system, Journal of Alloys and Compounds 438, 171-177 (2007). doi:10.1016/j.jallcom.2006.08.035
Jiyuan Zhang, Yuan Yuan, A coupled experimental and thermodynamic assessment of the Mg-Bi-Sb and Zn-Bi-Sb ternary system and extrapolate to the Mg-Bi-Zn-Sb system, Thermochimica Acta 716, 179327 (2022). doi:10.1016/j.tca.2022.179327
X. J. Liu, C. P. Wang, I. Ohnuma, R. Kainuma, K. Ishida, Thermodynamic assessment of the phase diagrams of the Cu-Sb and Sb-Zn systems, JPE 21, 432-442 (2000). doi:10.1361/105497100770339608

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}
}