Ge–Se system

30 accepted literature values from 1 paper(s) (experimental 16, model 12, unspecified 2); 1 calculated phase diagram(s). 2 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 (11) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	16
model	12
unspecified	2

Accepted values by property group
Property group	Values
phase transition	4
formation	19
crystal structure	7

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
GeSe-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	`04b410a9a7212717f50feeab970c881b29ffb4cd606d878609a64c442c37185b`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
GeSe-22Che.tdb	956.23	DIAMOND_A4 (x(Se) 0) + GESE_B1 (x(Se) 0.5) + LIQUID (x(Se) 0.50156)
GeSe-22Che.tdb	930.58	DIAMOND_A4 (x(Se) 0) + GESE_B16 (x(Se) 0.5) + GESE_B1 (x(Se) 0.5)
GeSe-22Che.tdb	930.58	GESE_B16 (x(Se) 0.5) + GESE_B1 (x(Se) 0.5) + LIQUID (x(Se) 0.51374)
GeSe-22Che.tdb	835.13	GESE_B16 (x(Se) 0.5) + LIQUID (x(Se) 0.57863) + GESE2_BETA (x(Se) 0.66667)
GeSe-22Che.tdb	835.13	GESE_B16 (x(Se) 0.5) + LIQUID (x(Se) 0.57873) + GESE2_BETA (x(Se) 0.66667)
GeSe-22Che.tdb	653.06	GESE2_BETA (x(Se) 0.66667) + GE3SE7 (x(Se) 0.7) + LIQUID (x(Se) 0.84684)
GeSe-22Che.tdb	469.66	GE3SE7 (x(Se) 0.7) + LIQUID (x(Se) 0.93566) + HEXAGONAL_A8 (x(Se) 1)
GeSe-22Che.tdb	420	GESE_B16 (x(Se) 0.5) + GESE2_ALPHA (x(Se) 0.66667) + GESE2_BETA (x(Se) 0.66667)
GeSe-22Che.tdb	420	GESE2_BETA (x(Se) 0.66667) + GESE2_ALPHA (x(Se) 0.66667) + GE3SE7 (x(Se) 0.7)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

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–Se system (19)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ge3Se7		-23.92 kJ/mol-atom	0	model			[1] Chen 2022 cites Saal 2013	Table II, p. 3, row 28 report
Ge3Se7		-22.065 kJ/mol-atom	298.15	model			[1] Chen 2022	Table II, p. 3, row 29 report
αGeSe	GeSe	-25.95 kJ/mol-atom	298.15	model	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022 cites ref. 48	Table II, p. 3, row 11 report
αGeSe	GeSe	-25.7 kJ/mol-atom ± 0.5	298.15	experimental	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022 cites ref. 47	Table II, p. 3, row 12 report
αGeSe	GeSe	-23.979 kJ/mol-atom	298.15	model	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022	Table II, p. 3, row 16 report
αGeSe	GeSe	-21.54 kJ/mol-atom	0	unspecified	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022	Table II, p. 3, row 15 report
αGeSe	GeSe	-21.5 kJ/mol-atom	0	model	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022 cites Saal 2013	Table II, p. 3, row 13 report
αGeSe	GeSe	-19.15 kJ/mol-atom	0	model	-43.583 (mp-aaaaabay)	-24.153 (oqmd-1694091)	[1] Chen 2022 cites ref. 36	Table II, p. 3, row 14 report
αGeSe2	GeSe2	-38 kJ/mol-atom ± 5.7	298.15	experimental	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 52	Table II, p. 3, row 21 report
αGeSe2	GeSe2	-34.4 kJ/mol-atom	298.15	model	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 48	Table II, p. 3, row 20 report
αGeSe2	GeSe2	-34.3 kJ/mol-atom ± 0.6	298.15	experimental	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 53	Table II, p. 3, row 19 report
αGeSe2	GeSe2	-30.3 kJ/mol-atom ± 2.8	298.15	experimental	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 49	Table II, p. 3, row 22 report
αGeSe2	GeSe2	-28.13 kJ/mol-atom ± 0.6	298.15	experimental	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 54	Table II, p. 3, row 18 report
αGeSe2	GeSe2	-25.8 kJ/mol-atom	0	unspecified	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022	Table II, p. 3, row 26 report
αGeSe2	GeSe2	-24.9 kJ/mol-atom	0	model	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites Saal 2013	Table II, p. 3, row 24 report
αGeSe2	GeSe2	-24.7 kJ/mol-atom ± 9.1	298.15	experimental	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 55	Table II, p. 3, row 17 report
αGeSe2	GeSe2	-23.28 kJ/mol-atom	0	model	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 36	Table II, p. 3, row 25 report
αGeSe2	GeSe2	-22.957 kJ/mol-atom	298.15	model	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022	Table II, p. 3, row 27 report
αGeSe2	GeSe2	-15.07 kJ/mol-atom	298.15	model	-55.896 (mp-aaabetth)	-25.539 (oqmd-1737214)	[1] Chen 2022 cites ref. 50	Table II, p. 3, row 23 report

Other properties

Phase transition (4)

Phase transition, Ge–Se system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	420 K	420	βGeSe2 → αGeSe2	experimental	[1] Chen 2022	p. 5 report	They observed that the λ-type phase transition βGeSe2 → αGeSe2 occurred at 420 K, and αGeSe2 is the low-temperature phase and βGeSe2 is the high-temperature phase.
Phase transition	931.4 K	931.4	βGeSe	model	[1] Chen 2022	p. 10 report	In the present thermodynamic assessment, the melting point of GeS2 is 1110 K, βGeSe melts incongruently at 931.4 K, and the transition between αGeS and βGeS occurs at
Phase transition	1013.15 K	1013.15	congruent transformation	experimental	[1] Chen 2022 cites ref. 38	p. 5 report	Meanwhile, the GeSe2 phase melting congruently at 1013.15 K was also confirmed.
Phase transition	1015 K	1015	congruent transformation	experimental	[1] Chen 2022	p. 5 report	The other GeSe2 phase melted congruently at 1015 ± 2 K.

Crystal structure (7)

Crystal structure, Ge–Se system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.5073 Å	298.15	GeSe2 alloy: Ge 0.333333, Se 0.666667	experimental	[1] Chen 2022 cites Grzechnik 2000 doi	Table I, p. 2, row 8 report
Lattice a	4.403 Å	298.15	αGeSe alloy: Ge 0.5, Se 0.5	experimental	[1] Chen 2022 cites Dutta 1965 doi	Table I, p. 2, row 6 report
Lattice a	5.73 Å	298.15	βGeSe alloy: Ge 0.5, Se 0.5	experimental	[1] Chen 2022 cites Wiedemeier 1975 doi	Table I, p. 2, row 7 report
Lattice b	5.5073 Å	298.15	GeSe2 alloy: Ge 0.333333, Se 0.666667	experimental	[1] Chen 2022 cites Grzechnik 2000 doi	Table I, p. 2, row 8 report
Lattice b	3.852 Å	298.15	αGeSe alloy: Ge 0.5, Se 0.5	experimental	[1] Chen 2022 cites Dutta 1965 doi	Table I, p. 2, row 6 report
Lattice c	9.9374 Å	298.15	GeSe2 alloy: Ge 0.333333, Se 0.666667	experimental	[1] Chen 2022 cites Grzechnik 2000 doi	Table I, p. 2, row 8 report
Lattice c	10.82 Å	298.15	αGeSe alloy: Ge 0.5, Se 0.5	experimental	[1] Chen 2022 cites Dutta 1965 doi	Table I, p. 2, row 6 report

Sources

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

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}
}