N–Si system

34 accepted literature values from 1 paper(s) (experimental 26, model 4, unspecified 4); 0 calculated phase diagram(s). 3 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

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

Accepted values by evidence class
Evidence class	Values
experimental	26
model	4
unspecified	4

Accepted values by property group
Property group	Values
invariant reaction	7
phase transition	1
formation	4
heat capacity / entropy / enthalpy	6
crystal structure	16

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull SiN-03Ma-LB · CALPHAD hull SiN-92Hil

Invariant reactions (literature)

Invariant reactions reported in the literature for the N–Si system (7)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2151	Liquid + gas <-> Si3N4	Si3N4: N 0.571429	experimental	[1] Ma 2003 cites Chase 1998	Table 4, p. 5, row 5 report
2150	Liquid + gas <-> Si3N4	Si3N4: N 0.571429	experimental	[1] Ma 2003 cites Dorner 1981 doi	Table 4, p. 5, row 6 report
2150	Liquid + gas <-> Si3N4	L: N 0.00145; Si3N4: N 0.571429	model	[1] Ma 2003	Table 4, p. 5, row 7 report
2129	Liquid + gas <-> Si3N4	Si3N4: N 0.571429	experimental	[1] Ma 2003 cites Kaiser 1959 doi	Table 4, p. 5, row 4 report
1687	Liquid <-> diamond_Si + Si3N4	L: N 2.000e-4; diamond_Si: N 0; Si3N4: N 0.571429	experimental	[1] Ma 2003 cites Kaiser 1959 doi	Table 4, p. 5, row 1 report
1687	Liquid <-> diamond_Si + Si3N4	L: N 1.200e-4; diamond_Si: N 0; Si3N4: N 0.571429	experimental	[1] Ma 2003 cites Yatsurugi 1973 doi	Table 4, p. 5, row 2 report
1686.94	Liquid <-> diamond_Si + Si3N4	L: N 0.0012; diamond_Si: N 0; Si3N4: N 0.571429	model	[1] Ma 2003	Table 4, p. 5, row 3 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, N–Si system (4)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
α		-744.752 unknown ± 29.3	298.15	unspecified			[1] Ma 2003 cites Chase 1998	Table 2, p. 2, row 5 report
α		-735.68 unknown ± 25.08	298.15	experimental			[1] Ma 2003 cites Pehlke 1959	Table 2, p. 2, row 4 report
α-Si3N4	Si3N4	-106.393 kJ/mol-atom ± 4.18571	298.15	unspecified	-125.391 (mp-aaaaabma)	-117.182 (oqmd-3591)	[1] Ma 2003 cites Chase 1998	Table 2, p. 2, row 5 report
α-Si3N4	Si3N4	-105.097 kJ/mol-atom ± 3.58286	298.15	experimental	-125.391 (mp-aaaaabma)	-117.182 (oqmd-3591)	[1] Ma 2003 cites Pehlke 1959	Table 2, p. 2, row 4 report

Other properties

Phase transition (1)

Phase transition, N–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1687 K	1687	liquid	experimental	[1] Ma 2003 cites Kaiser 1959 doi	p. 1 report	Using zone-melting experiments, Kaiser and Thurmond [10] and Yatsurugi et al. [11] measured the distribution of N between solid and liquid semiconductor-grade Si near its melting point (1687 K).

Heat capacity / entropy / enthalpy (6)

Heat capacity / entropy / enthalpy, N–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S298 K	9.17143 J/mol-atom/K	298.15	Si3N4 alloy: Si 0.428571	model	[1] Ma 2003 cites Koshchenko 1985	Table 2, p. 2, row 3 report
Entropy printed: S298 K	64.2 J/mol (basis unstated)/K	298.15	Si3N4	model	[1] Ma 2003 cites Koshchenko 1985	Table 2, p. 2, row 3 report
Entropy printed: S298 K	112.967 unknown ± 16.7	298.15	α	unspecified	[1] Ma 2003 cites Chase 1998	Table 2, p. 2, row 2 report
Entropy printed: S298 K	107.008 J/mol (basis unstated)/K	298.15	α	experimental	[1] Ma 2003 cites Pehlke 1959	Table 2, p. 2, row 1 report
Entropy printed: S298 K	16.1381 J/mol-atom/K ± 2.38571	298.15	α-Si3N4 alloy: Si 0.428571	unspecified	[1] Ma 2003 cites Chase 1998	Table 2, p. 2, row 2 report
Entropy printed: S298 K	15.2869 J/mol-atom/K	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Pehlke 1959	Table 2, p. 2, row 1 report

Crystal structure (16)

Crystal structure, N–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	7.595 Å		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Grun 1979 doi	Table 1, p. 2, row 8 report
Lattice a	7.606 Å ± 0.003		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Ruddlesden 1958 doi	Table 1, p. 2, row 7 report
Lattice a	7.608 Å		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Arrowsmith 1963	Table 1, p. 2, row 6 report
Lattice a	7.748 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Arrowsmith 1963	Table 1, p. 2, row 1 report
Lattice a	7.766 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Kohatsu 1974 doi	Table 1, p. 2, row 4 report
Lattice a	7.753 Å ± 0.004	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Ruddlesden 1958 doi	Table 1, p. 2, row 2 report
Lattice a	7.818 Å ± 0.003	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Kato 1975	Table 1, p. 2, row 5 report
Lattice a	7.765 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Marchand 1969 doi	Table 1, p. 2, row 3 report
Lattice c	2.9023 Å		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Grun 1979 doi	Table 1, p. 2, row 8 report
Lattice c	2.909 Å ± 0.002		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Ruddlesden 1958 doi	Table 1, p. 2, row 7 report
Lattice c	2.9107 Å		β-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Arrowsmith 1963	Table 1, p. 2, row 6 report
Lattice c	5.617 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Arrowsmith 1963	Table 1, p. 2, row 1 report
Lattice c	5.615 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Kohatsu 1974 doi	Table 1, p. 2, row 4 report
Lattice c	5.618 Å ± 0.004	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Ruddlesden 1958 doi	Table 1, p. 2, row 2 report
Lattice c	5.591 Å ± 0.004	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Kato 1975	Table 1, p. 2, row 5 report
Lattice c	5.622 Å	298.15	α-Si3N4 alloy: Si 0.428571	experimental	[1] Ma 2003 cites Marchand 1969 doi	Table 1, p. 2, row 3 report

Sources

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

Xiaoyan Ma, Changrong Li, Fuming Wang, Weijing Zhang, Thermodynamic assessment of the Si–N system, Calphad 27, 383-388 (2003). doi:10.1016/j.calphad.2003.12.005

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-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); 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); 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_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}
}