Si system

36 accepted literature values from 16 paper(s) (experimental 10, model 7, DFT 12, unspecified 7); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	10
model	7
DFT	12
unspecified	7

Accepted values by property group
Property group	Values
invariant reaction	2
phase equilibrium	3
formation	8
mixing / partial	3
activity / EMF / Gibbs energy	1
crystal structure	19

Invariant reactions (literature)

Invariant reactions reported in the literature for the Si system (2)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1687	Si1(L) <=> Si1(dia_A4)	Si1(L): Si 1	model	[1] Chevalier 1995	Table 4, p. 9, row 46 report
1687	Si1(L) <=> Si1(dia_A4)	Si1(L): Si 1	experimental	[1] Chevalier 1995 cites ref. 2	Table 4, p. 9, row 47 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, Si system (8)
Phase	Value	T (K)	Class	Source	Location
Si2Si-γ	148.1 kJ/mol (basis unstated)		DFT	[2] Zhou 2016	Table I, p. 3, row 23 report
Si2Si-γ	148.1 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2016	Table I, p. 3, row 23 report
Si3Si-β	1.88 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2016	Table I, p. 3, row 17 report
Si3Si-β	1.88 kJ/mol (basis unstated)		DFT	[2] Zhou 2016	Table I, p. 3, row 17 report
Si5Si-μ	66.4 kJ/mol (basis unstated)		DFT	[2] Zhou 2016	Table I, p. 3, row 6 report
Si5Si-μ	66.4 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2016	Table I, p. 3, row 6 report
Si9Si2-α	62.4 kJ/mol (basis unstated)	0	DFT	[2] Zhou 2016	Table I, p. 3, row 11 report
Si9Si2-α	62.4 kJ/mol (basis unstated)		DFT	[2] Zhou 2016	Table I, p. 3, row 11 report

Other properties

Phase equilibrium (3)

Phase equilibrium, Si system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	900	Phase 1/dark + Phase 2/white + Phase 1/dark (EDX) + Phase 1/dark (XRD) + Phase 2/white (EDX) + Phase 2/white (XRD) Phase 1/dark (EDX): Si 0.02; Phase 1/dark (XRD): Si 0.07; Phase 2/white (EDX): Si 0.17; Phase 2/white (XRD): Si 0.3; Phase 1/dark: Si 0.07	experimental	[3] Berche 2015	Table 1, p. 3, row 2 report
Phase composition	900	Phase 1/dark + Phase 2/white + Phase 1/dark (EDX) + Phase 1/dark (XRD) + Phase 2/white (EDX) + Phase 2/white (XRD) Phase 1/dark (EDX): Si 0.067; Phase 1/dark (XRD): Si 0.02; Phase 2/white (EDX): Si 0.3; Phase 2/white (XRD): Si 0.29; Phase 1/dark: Si 0.02	experimental	[3] Berche 2015	Table 1, p. 3, row 3 report
Phase composition	900	Phase 1/dark + Phase 2/white + Phase 1/dark (EDX) + Phase 1/dark (XRD) + Phase 2/white (EDX) + Phase 2/white (XRD) Phase 1/dark (EDX): Si 0.042; Phase 1/dark (XRD): Si 0.04; Phase 2/white (EDX): Si 0.121; Phase 2/white (XRD): Si 0.16; Phase 1/dark: Si 0.04	experimental	[3] Berche 2015	Table 1, p. 3, row 1 report

Mixing / partial (3)

Mixing / partial, Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH	0 kJ/mol-atom	1890.15	liquid alloy: Si 1	experimental	[4] Gröbner 2004 cites Sudavtsova 1988	Table VIII, p. 11, row 48 report
Enthalpy of mixing printed: ΔH	0 kJ/mol-atom	1923.15	liquid alloy: Si 1	model	[4] Gröbner 2004	Table VIII, p. 11, row 49 report
Enthalpy of mixing printed: ΔH	0 kJ/mol-atom	1923.15	liquid alloy: Si 1	experimental	[4] Gröbner 2004 cites Ryss 1977	Table VIII, p. 11, row 47 report

Activity / EMF / Gibbs energy (1)

Activity / EMF / Gibbs energy, Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Gibbs energy printed: G^ex	0 kJ/mol	1723	liquid alloy: Si 1	experimental	[5] Bergman 1992	Table 3, p. 3, row 11 report

Crystal structure (19)

Crystal structure, Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.468 Å	0	Diamond_A4 (Si) alloy: Si 1	DFT	[6] Shin 2006	Table 1, p. 3, row 2 report
Lattice a	5.467 Å		Si alloy: Si 1	DFT	[7] Hao 2012	Table 1, p. 5, row 4 report
Lattice a	5.4306 Å	298.15	(Si) (Si): Si 1	unspecified	[8] Olesinski 1985	Table 3, p. 3, row 1 report
Lattice a	5.43 Å	298.15	(Si) alloy: Si 1	model	[9] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 1 report
Lattice a	5.4308 Å	298.15	(Si) alloy: Si 1	experimental	[8] Olesinski 1985 cites Bublik 1969	Table 3, p. 3, row 3 report
Lattice a	5.4306 Å	298.15	(Si) (Si): Si 1	model	[10] Olesinski 1984 cites King 1982	Table 3, p. 3, row 1 report
Lattice a	5.431 Å	298.15	(Si) alloy: Si 1	model	[11] Hu 2013 cites Massalski 1996	Table 3, p. 4, row 3 report
Lattice a	5.4311 Å	298.15	(Si) alloy: Si 1	experimental	[8] Olesinski 1985 cites Teague 1971 doi	Table 3, p. 3, row 2 report
Lattice a	5.4306 Å	298.15	(Si) (Si): Si 1	unspecified	[12] Olesinski 1985 cites ref. 1	Table 1, p. 2, row 1 report
Lattice a	5.4306 Å	298.15	(Si) alloy: Si 1	experimental	[13] Qin 2015 cites King 1981	Table 1, p. 2, row 1 report
Lattice a	5.43 Å	298.15	Si alloy: Si 1	model	[14] Li 2013 cites Daams 1991	Table 1, p. 2, row 2 report
Lattice a	5.4309 Å	298.15	Si alloy: Si 1	model	[15] Shao 2004 cites Villars 1991	Table 1, p. 2, row 3 report
Lattice a	5.431 Å	298.15	Si alloy: Si 1	unspecified	[7] Hao 2012 cites ref. 28	Table 1, p. 5, row 3 report
Lattice a	4.686 Å	298.15	Si alloy: Si 1	unspecified	[16] Olesinski 1984	Table 1, p. 3, row 4 report
Lattice a	5.431 Å	298.15	UNKNOWN alloy: Si 1	unspecified	[16] Olesinski 1984	Table 2, p. 3, row 21 report
Lattice b	5.468 Å	0	Diamond_A4 (Si) alloy: Si 1	DFT	[6] Shin 2006	Table 1, p. 3, row 2 report
Lattice c	5.468 Å	0	Diamond_A4 (Si) alloy: Si 1	DFT	[6] Shin 2006	Table 1, p. 3, row 2 report
Lattice c	2.585 Å	298.15	Si alloy: Si 1	unspecified	[16] Olesinski 1984	Table 1, p. 3, row 4 report
lattice unspecified axis	5.431 Å	298.15	UNKNOWN alloy: Si 1	unspecified	[16] Olesinski 1984	Table 2, p. 3, row 21 report

Sources

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

Pierre-Yves Chevalier, E. Fischer, A. Rivet, A thermodynamic evaluation of the Mn-Si system, Calphad 19, 57-68 (1995). doi:10.1016/0364-5916(95)00007-2
S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016). doi:10.1007/s11661-015-3206-8
Alexandre Berche, Elodie Théron-Ruiz, Jean-Claude Tédenac, Philippe Jund, Thermodynamic study of the Ge–Mn–Si system, Journal of Alloys and Compounds 632, 10-16 (2015). doi:10.1016/j.jallcom.2015.01.072
Joachim Gröbner, Djordje Mirković, Rainer Schmid-Fetzer, Thermodynamic aspects of the constitution, grain refining, and solidification enthalpies of Al-Ce-Si alloys, Metall Mater Trans A 35, 3349-3362 (2004). doi:10.1007/s11661-004-0172-y
C. Bergman, R. Chastel, R. Castanet, Thermodynamic investigation on the si-ge binary system by calorimetry and knudsen cell mass spectrometry, JPE 13, 113-118 (1992). doi:10.1007/bf02667471
Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu, Thermodynamic modeling of the Hf–Si–O system, Calphad 30, 375-386 (2006). doi:10.1016/j.calphad.2006.08.006
D. Hao, M. Bu, Y. Wang, Y. Tang, Q. Gao, M. Wang et al., Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems, J min metall B Metall 48, 273-282 (2012). doi:10.2298/jmmb120113024h
R. W. Olesinski, G. J. Abbaschian, The Sb-Si (Antimony-Silicon) system, Bulletin of Alloy Phase Diagrams 6, 445-448 (1985). doi:10.1007/bf02869508
Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018). doi:10.1016/j.jallcom.2018.07.211
R. W. Olesinski, G. J. Abbaschian, The Pb−Si (Lead−Silicon) system, Bulletin of Alloy Phase Diagrams 5, 271-273 (1984). doi:10.1007/bf02868551
Biao Hu, Wei-Wei Zhang, Yingbiao Peng, Yong Du, Shuhong Liu, Yuelan Zhang, Thermodynamic reassessment of the Al–Cr–Si system with the refined description of the Al–Cr system, Thermochimica Acta 561, 77-90 (2013). doi:10.1016/j.tca.2013.03.033
R. W. Olesinski, N. Kanani, G. J. Abbaschian, The In−Si (Indium-Silicon) system, Bulletin of Alloy Phase Diagrams 6, 128-130 (1985). doi:10.1007/bf02869223
Aning Qin, Dandan Liu, Chong Chen, Shuhong Liu, Yong Du, Man Wang et al., Heat contents of Sc5Si3 and ScSi intermetallics and thermodynamic modeling of the Sc–Si system, J Therm Anal Calorim 119, 1315-1321 (2015). doi:10.1007/s10973-014-4216-2
Yan Li, Changrong Li, Zhenmin Du, Cuiping Guo, Thermodynamic optimization of the Nb–Si–W ternary system, Calphad 43, 112-123 (2013). doi:10.1016/j.calphad.2013.04.004
G. Shao, Thermodynamic assessment of the Nb–Si–Al system, Intermetallics 12, 655-664 (2004). doi:10.1016/j.intermet.2004.03.011
R. W. Olesinski, G. J. Abbaschian, The Ge−Si (Germanium-Silicon) system, Bulletin of Alloy Phase Diagrams 5, 180-183 (1984). doi:10.1007/bf02868957

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 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_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}
}