Ge–P system

41 accepted literature values from 2 paper(s) (experimental 14, model 9, DFT 17, unspecified 1); 2 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	14
model	9
DFT	17
unspecified	1

Accepted values by property group
Property group	Values
invariant reaction	1
formation	17
heat capacity / entropy / enthalpy	5
crystal structure	18

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
GeP-21Don.tdb	H. Dong, X. Tao, M. Paulasto-Krockel, J. Electron. Mater., 50, 4272-88(2021). doi:10.1007/s11664-021-08861-4	`e3a892ddc27c212777cacd4787f0d45cda2d7ce6dc4375cc2a69da0e1a08c3b6`	viewer · TDB · JSON
GeP-22Che.tdb	S. Chen, J. Wang, S. Yu, B. Hu, Q. Wu, Y. Du, J. Electron. Mater., 51, 2114-30(2022). doi:10.1007/s11664-022-09474-1	`3ebe2eeb4e7cc01d744d68c0e8a9eb6f7cf2c49d87a27d84759933a481f77c56`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
GeP-21Don.tdb	1002	DIAMOND_A4 (x(P) 0.00248) + GEP (x(P) 0.5) + LIQUID (x(P) 0.62661)
GeP-21Don.tdb	1002	DIAMOND_A4 (x(P) 0.00248) + GEP (x(P) 0.5) + LIQUID (x(P) 0.6265)
GeP-21Don.tdb	844.95	GEP (x(P) 0.5) + LIQUID (x(P) 0.97546) + RED_P (x(P) 1)
GeP-21Don.tdb	844.95	GEP (x(P) 0.5) + LIQUID (x(P) 0.97562) + RED_P (x(P) 1)
GeP-21Don.tdb	844.95	GEP (x(P) 0.5) + LIQUID (x(P) 0.97567) + RED_P (x(P) 1)
GeP-21Don.tdb	844.95	GEP (x(P) 0.5) + LIQUID (x(P) 0.97567) + RED_P (x(P) 1)
GeP-22Che.tdb	990.22	DIAMOND_A4 (x(P) 0) + GEP (x(P) 0.5) + LIQUID (x(P) 0.59679)
GeP-22Che.tdb	990.22	DIAMOND_A4 (x(P) 0) + GEP (x(P) 0.5) + LIQUID (x(P) 0.59634)
GeP-22Che.tdb	990.22	DIAMOND_A4 (x(P) 0) + GEP (x(P) 0.5) + LIQUID (x(P) 0.59623)
GeP-22Che.tdb	841.27	GEP (x(P) 0.5) + LIQUID (x(P) 0.96512) + RED_P (x(P) 1)
GeP-22Che.tdb	841.27	GEP (x(P) 0.5) + LIQUID (x(P) 0.96553) + RED_P (x(P) 1)
GeP-22Che.tdb	841.27	GEP (x(P) 0.5) + LIQUID (x(P) 0.96556) + RED_P (x(P) 1)
GeP-22Che.tdb	841.27	GEP (x(P) 0.5) + LIQUID (x(P) 0.96556) + RED_P (x(P) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull GeP-21Don

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ge–P system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
998.15	peritectic: liquid + Ge → GeP		experimental	[1] Dong 2021	p. 3 report	The T - x diagram includes the liquidus boundaries and two invariant reactions, i.e. (i) peritectic reaction of liquid + Ge → GeP at 725°C (liquid composition ~ 63 at.% P), and (ii) an undefined invariant reaction involving liquid, P and GeP.

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Ge–P system (17)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ge1P1	GeP	-13.82 kJ/mol-atom	298.15	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[1] Dong 2021	Table II, p. 6, row 6 report
Ge1P1	GeP	-13.6 kJ/mol-atom	298.15	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[1] Dong 2021 cites Barin 1977 doi	Table II, p. 6, row 5 report
Ge1P1	GeP	-12.56 kJ/mol-atom	298.15	experimental	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[1] Dong 2021 cites Zumbusch 1939 doi	Table II, p. 6, row 1 report
Ge1P1		-12.19 per mol-atom ± 1.5	298.15	experimental			[1] Dong 2021 cites Suess 1982	Table II, p. 6, row 3 report
Ge1P1	GeP	-10.5 kJ/mol-atom	298.15	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[1] Dong 2021 cites Lide 2005	Table II, p. 6, row 2 report
GeP		-11.4818 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
GeP		-11.48 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
GeP	GeP	-11.442 kJ/mol-atom	298.15	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[2] Chen 2022	Table II, p. 3, row 51 report
GeP	GeP	-11.44 kJ/mol-atom	0	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[2] Chen 2022 cites Saal 2013	Table II, p. 3, row 48 report
GeP		-3.86 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Curtarolo 2012 doi	Table I, p. 5, row 5 report
GeP		-3.85941 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Curtarolo 2012 doi	Table I, p. 5, row 5 report
GeP	GeP	-0.17 kJ/mol-atom	0	unspecified	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[2] Chen 2022	Table II, p. 3, row 50 report
GeP		-0.072364 kJ/mol-atom	0	DFT			[1] Dong 2021	Table I, p. 5, row 6 report
GeP		-0.072 kJ/mol-atom	0	DFT			[1] Dong 2021	Table I, p. 5, row 6 report
GeP	GeP	1.44 kJ/mol-atom	0	model	0.383 (mp-aaackifz)	-11.483 (oqmd-1349377)	[2] Chen 2022 cites ref. 36	Table II, p. 3, row 49 report
GeP		1.44728 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
GeP		1.45 kJ/mol-atom	0	DFT			[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report

Other properties

Heat capacity / entropy / enthalpy (5)

Heat capacity / entropy / enthalpy, Ge–P system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S298 0	30.54 J/mol-atom/K	298.15	Ge1P1 alloy: P 0.5	model	[1] Dong 2021 cites Barin 1977 doi	Table II, p. 6, row 5 report
Entropy printed: S298 0	26.42 J/mol-atom/K	298.15	Ge1P1 alloy: P 0.5	experimental	[1] Dong 2021 cites Ugai 1979	Table II, p. 6, row 4 report
Entropy printed: S298 0	25.57 J/mol-atom/K	298.15	Ge1P1 alloy: P 0.5	model	[1] Dong 2021	Table II, p. 6, row 6 report
Entropy printed: S0_298	27.64 per mol-atom ± 3.32	298.15	Ge1P1 alloy: P 0.5	experimental	[1] Dong 2021 cites Suess 1982	Table II, p. 6, row 3 report
Entropy printed: S298 0	31.5 J/mol-atom/K	298.15	Ge1P1 alloy: P 0.5	model	[1] Dong 2021 cites Lide 2005	Table II, p. 6, row 2 report

Crystal structure (18)

Crystal structure, Ge–P system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a	15.5183 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
Lattice a printed: a	15.1948 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021	Table I, p. 5, row 6 report
Lattice a printed: a	15.334 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
Lattice a printed: a	15.1948 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Lee 2015 doi	Table I, p. 5, row 2 report
Lattice a printed: a	15.14 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Wadsten 1967 doi	Table I, p. 5, row 1 report
Lattice a	15.334 Å	298.15	GeP alloy: Ge 0.5, P 0.5	experimental	[2] Chen 2022 cites Wadsten 1967 doi	Table I, p. 2, row 13 report
Lattice b printed: b	3.68332 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
Lattice b printed: b	3.6337 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021	Table I, p. 5, row 6 report
Lattice b printed: b	3.669 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
Lattice b printed: b	3.6337 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Lee 2015 doi	Table I, p. 5, row 2 report
Lattice b printed: b	3.638 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Wadsten 1967 doi	Table I, p. 5, row 1 report
Lattice b	3.669 Å	298.15	GeP alloy: Ge 0.5, P 0.5	experimental	[2] Chen 2022 cites Wadsten 1967 doi	Table I, p. 2, row 13 report
Lattice c printed: c	9.39563 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Jain 2013 doi	Table I, p. 5, row 4 report
Lattice c printed: c	9.1941 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021	Table I, p. 5, row 6 report
Lattice c printed: c	9.095 Å	0	GeP alloy: P 0.5	DFT	[1] Dong 2021 cites Kirklin 2015 doi	Table I, p. 5, row 3 report
Lattice c printed: c	9.1941 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Lee 2015 doi	Table I, p. 5, row 2 report
Lattice c printed: c	9.19 Å		GeP alloy: P 0.5	experimental	[1] Dong 2021 cites Wadsten 1967 doi	Table I, p. 5, row 1 report
Lattice c	9.274 Å	298.15	GeP alloy: Ge 0.5, P 0.5	experimental	[2] Chen 2022 cites Wadsten 1967 doi	Table I, p. 2, row 13 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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); 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; 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). 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_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}