GeP: enthalpy of formation

17 accepted literature formation-enthalpy value(s) (experimental 2, model 6, DFT 8, unspecified 1); experimental median -12.56 kJ/mol-atom (n = 1); Materials Project 0.383 kJ/mol-atom (mp-aaackifz); OQMD -11.483 kJ/mol-atom (oqmd-1349377).

Systems: Ge–P

Literature values

Enthalpy of formation of GeP reported in the literature (17)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-12.56 kJ/mol-atom	Ge1P1	298.15	experimental		Ge–P	[1] Dong 2021 cites Zumbusch 1939 doi	Table II, p. 6, row 1 report
-12.19 per mol-atom ± 1.5	Ge1P1	298.15	experimental		Ge–P	[1] Dong 2021 cites Suess 1982	Table II, p. 6, row 3 report
-13.82 kJ/mol-atom	Ge1P1	298.15	model	CALPHAD	Ge–P	[1] Dong 2021	Table II, p. 6, row 6 report
-13.6 kJ/mol-atom	Ge1P1	298.15	model		Ge–P	[1] Dong 2021 cites Barin 1977 doi	Table II, p. 6, row 5 report
-11.442 kJ/mol-atom	GeP	298.15	model	CALPHAD	Ge–P	[2] Chen 2022	Table II, p. 3, row 51 report
-11.44 kJ/mol-atom	GeP	0	model	First–principles	Ge–P	[2] Chen 2022 cites Saal 2013	Table II, p. 3, row 48 report
-10.5 kJ/mol-atom	Ge1P1	298.15	model		Ge–P	[1] Dong 2021 cites Lide 2005	Table II, p. 6, row 2 report
1.44 kJ/mol-atom	GeP	0	model	First–principles	Ge–P	[2] Chen 2022 cites ref. 36	Table II, p. 3, row 49 report
-11.4818 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
-11.48 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
-3.86 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Curtarolo 2012 doi	Table I, p. 5, row 5 report
-3.85941 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Curtarolo 2012 doi	Table I, p. 5, row 5 report
-0.072364 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021	Table I, p. 5, row 6 report
-0.072 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021	Table I, p. 5, row 6 report
1.44728 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
1.45 kJ/mol-atom	GeP	0	DFT	DFT, GGA	Ge–P	[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
-0.17 kJ/mol-atom	GeP	0	unspecified	First–principles	Ge–P	[2] Chen 2022	Table II, p. 3, row 50 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 GeP
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-12.56	kJ/mol-atom		0.005	3.5 (unknown, calibrated)	3.5
-12.19	per mol-atom	1.5	0.005	unit 'per mol-atom' not convertible to kJ/mol-atom	1.5
-13.82	kJ/mol-atom		0.005	3.9 (model_calculated, calibrated)	3.9
-13.6	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-11.442	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-11.44	kJ/mol-atom		0.005	3.9 (model_calculated, calibrated)	3.9
-10.5	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
1.44	kJ/mol-atom		0.005	3.9 (model_calculated, calibrated)	3.9
-11.4818	kJ/mol-atom		0.04824	9.966 (dft, calibrated)	9.966
-11.48	kJ/mol-atom		0.005	9.966 (dft, calibrated)	9.966
-3.86	kJ/mol-atom		0.005	9.966 (dft, calibrated)	9.966
-3.85941	kJ/mol-atom		0.4824	9.966 (dft, calibrated)	9.966
-0.072364	kJ/mol-atom		4.824e-4	9.966 (dft, calibrated)	9.966
-0.072	kJ/mol-atom		5.000e-4	9.966 (dft, calibrated)	9.966
1.44728	kJ/mol-atom		0.04824	9.966 (dft, calibrated)	9.966
1.45	kJ/mol-atom		0.005	9.966 (dft, calibrated)	9.966
-0.17	kJ/mol-atom		0.005	4.1 (experimental_unspecified, cleaned_below_threshold)	4.1

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 GeP
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaackifz	0.383	0.003971	C2/m	0.3831	0.004	no
OQMD	oqmd-1349377	-11.483	-0.119014	C2/m	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

Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021). doi:10.1007/s11664-021-08861-4
Shanxiong Chen, Jiong Wang, Shangzhao Yu, Biao Hu, Qing Wu, Yong Du, Thermodynamic Modeling of the Ge-X (X = As, Se, S, P) Systems, J. Electron. Mater. 51, 2114-2130 (2022). doi:10.1007/s11664-022-09474-1

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}
}