F–Na system

10 accepted literature values from 1 paper(s) (experimental 4, model 4, DFT 2); 0 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 · phases (7) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	4
model	4
DFT	2

Accepted values by property group
Property group	Values
invariant reaction	5
phase transition	1
formation	2
crystal structure	2

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the F–Na system (5)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2556	Gas (P = 10 bar) = liquid	Gas: F 0.5; liquid: F 0.5	model	[1] Zhang 2006	Table 4, p. 9, row 1 report
1269	Gas (P = 10 bar) = liquid + NaF	Gas: F 0.999967; liquid: F 0.5; NaF: F 0.5	model	[1] Zhang 2006	Table 4, p. 9, row 2 report
1263	monotectic: Liquid 1 = liquid 2 + NaF	Liquid 1: F 0.495; liquid 2: F 0.145; NaF: F 0.497	experimental	[1] Zhang 2006 cites Bredig 1955 doi	Table 4, p. 9, row 4 report
1254	monotectic: Liquid 1 = liquid 2 + NaF	Liquid 1: F 0.488; liquid 2: F 0.142; NaF: F 0.5	model	[1] Zhang 2006	Table 4, p. 9, row 3 report
371	eutectic: Liquid = bcc + NaF	Liquid: F 0; bcc: F 0; NaF: F 0.5	model	[1] Zhang 2006	Table 4, p. 9, row 5 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, F–Na system (2)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
NaF	NaF	-287.69 kJ/mol-atom	298.15	experimental	-283.373 (mp-aaaaabag)	-286.946 (oqmd-5686)	[1] Zhang 2006 cites Chase 1998	Table 2, p. 3, row 29 report
NaF		-269.597 kJ/mol-atom	0	DFT			[1] Zhang 2006	Table 2, p. 3, row 28 report

Other properties

Phase transition (1)

Phase transition, F–Na system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1373 K	1373	other	experimental	[1] Zhang 2006	p. 2 report	The composition of the consolute point in the liquid was estimated to be 23.1 at.% F at 1373 K by extrapolation.

Crystal structure (2)

Crystal structure, F–Na system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Lattice a printed: Lattice constant a	4.5 Å	0	NaF alloy: Na 0.5	DFT	[1] Zhang 2006	Table 2, p. 3, row 28 report
Lattice a printed: Lattice constant a	4.62 Å ± 0.004		NaF alloy: Na 0.5	experimental	[1] Zhang 2006 cites Davey 1923 doi	Table 2, p. 3, row 11 report

Sources

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

Shengjun Zhang, Carl Brubaker, Chao Jiang, Mei Yang, Yu Zhong, Qingyou Han et al., A combined first-principles calculation and thermodynamic modeling of the F–K–Na system, Materials Science and Engineering: A 418, 161-171 (2006). doi:10.1016/j.msea.2005.11.037

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}
}