Ge–S system

25 accepted literature values from 1 paper(s) (experimental 14, model 9, unspecified 2); 1 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	14
model	9
unspecified	2

Accepted values by property group
Property group	Values
invariant reaction	1
formation	18
crystal structure	6

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
GeS-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	`785db495efac14d14276d4c4862c6153b577766e885d34b11e1f90d072d7fd9e`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
GeS-22Che.tdb	925.37	DIAMOND_A4 (x(S) 0) + LIQUID (x(S) 0.47089) + GES_BETA (x(S) 0.5)
GeS-22Che.tdb	882.76	GES_BETA (x(S) 0.5) + LIQUID (x(S) 0.59173) + GES2 (x(S) 0.66667)
GeS-22Che.tdb	863.49	GES_BETA (x(S) 0.5) + GES_B16 (x(S) 0.5) + GES2 (x(S) 0.66667)
GeS-22Che.tdb	863.49	DIAMOND_A4 (x(S) 0) + GES_B16 (x(S) 0.5) + GES_BETA (x(S) 0.5)
GeS-22Che.tdb	384.08	GES2 (x(S) 0.66667) + LIQUID (x(S) 0.99409) + MONOCLINIC_S (x(S) 1)
GeS-22Che.tdb	368.3	GES2 (x(S) 0.66667) + ORTHORHOMBIC_A16 (x(S) 1) + MONOCLINIC_S (x(S) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ge–S system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
381.1	eutectic: L→GeS2+(S)	L: S 0.995; GeS2: S 0.667; (S): S 1	model	[1] Chen 2022	Table III, p. 4, row 30 report

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–S system (18)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
GeS2	GeS2	-69.55 kJ/mol-atom	0	model	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 36	Table II, p. 3, row 45 report
GeS2	GeS2	-52.3 kJ/mol-atom ± 4.3	298.15	experimental	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 60	Table II, p. 3, row 42 report
GeS2	GeS2	-50.03 kJ/mol-atom	0	model	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites Saal 2013	Table II, p. 3, row 44 report
GeS2	GeS2	-50 kJ/mol-atom ± 6.7	298.15	experimental	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 64	Table II, p. 3, row 43 report
GeS2	GeS2	-48.733 kJ/mol-atom	298.15	model	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022	Table II, p. 3, row 47 report
GeS2	GeS2	-45.91 kJ/mol-atom	298.15	model	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 63	Table II, p. 3, row 41 report
GeS2	GeS2	-42.6 kJ/mol-atom ± 0.4	298.15	experimental	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 66	Table II, p. 3, row 39 report
GeS2	GeS2	-41.6 kJ/mol-atom ± 0.9	298.15	experimental	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022 cites ref. 65	Table II, p. 3, row 40 report
GeS2	GeS2	-31.88 kJ/mol-atom	0	unspecified	-64.065 (mp-aaabgpmi)	-50.116 (oqmd-2017)	[1] Chen 2022	Table II, p. 3, row 46 report
αGeS	GeS	-56.42 kJ/mol-atom	0	model	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 36	Table II, p. 3, row 36 report
αGeS	GeS	-38.27 kJ/mol-atom	0	model	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites Saal 2013	Table II, p. 3, row 35 report
αGeS	GeS	-38.1 kJ/mol-atom ± 4.2	298.15	experimental	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 59	Table II, p. 3, row 30 report
αGeS	GeS	-38.1 kJ/mol-atom ± 2.1	298.15	experimental	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 60	Table II, p. 3, row 33 report
αGeS	GeS	-37.7 kJ/mol-atom ± 1.5	298.15	experimental	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 61	Table II, p. 3, row 34 report
αGeS	GeS	-37.172 kJ/mol-atom	298.15	model	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022	Table II, p. 3, row 38 report
αGeS	GeS	-30.6 kJ/mol-atom ± 0.6	298.15	experimental	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 62	Table II, p. 3, row 31 report
αGeS	GeS	-29.96 kJ/mol-atom	298.15	model	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022 cites ref. 63	Table II, p. 3, row 32 report
αGeS	GeS	-24.6 kJ/mol-atom	0	unspecified	-48.403 (mp-aaaaadig)	-38.311 (oqmd-1877)	[1] Chen 2022	Table II, p. 3, row 37 report

Other properties

Crystal structure (6)

Crystal structure, Ge–S system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	6.808 Å	298.15	GeS2 alloy: Ge 0.333333, S 0.666667	experimental	[1] Chen 2022 cites Dittmar 1975 doi	Table I, p. 2, row 11 report
Lattice a	4.306 Å	298.15	αGeS alloy: Ge 0.5, S 0.5	experimental	[1] Chen 2022 cites Wiedemeier 1977 doi	Table I, p. 2, row 10 report
Lattice b	16.284 Å	298.15	GeS2 alloy: Ge 0.333333, S 0.666667	experimental	[1] Chen 2022 cites Dittmar 1975 doi	Table I, p. 2, row 11 report
Lattice b	3.653 Å	298.15	αGeS alloy: Ge 0.5, S 0.5	experimental	[1] Chen 2022 cites Wiedemeier 1977 doi	Table I, p. 2, row 10 report
Lattice c	11.698 Å	298.15	GeS2 alloy: Ge 0.333333, S 0.666667	experimental	[1] Chen 2022 cites Dittmar 1975 doi	Table I, p. 2, row 11 report
Lattice c	10.449 Å	298.15	αGeS alloy: Ge 0.5, S 0.5	experimental	[1] Chen 2022 cites Wiedemeier 1977 doi	Table I, p. 2, row 10 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}
}