F–Nb system

25 accepted literature values from 1 paper(s) (experimental 1, model 16, unspecified 8); 0 calculated phase diagram(s). 28 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	1
model	16
unspecified	8

Accepted values by property group
Property group	Values
phase transition	2
formation	11
heat capacity / entropy / enthalpy	11
other property	1

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, F–Nb system (11)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Nb2F10(g)		-294.263 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 6 report
Nb3F15(g)		-296.38 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 7 report
NbF(g)		117.88 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 1 report
NbF2(g)		-112.887 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 2 report
NbF3 (cr)	NbF3	-294.228 kJ/mol-atom	298.15	unspecified	-283.574 (mp-aaaaacrb)	-279.161 (oqmd-11298)	[1] Capelli 2018	Table 1, p. 3, row 1 report
NbF3(g)		-201.102 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 3 report
NbF4 (cr)	NbF4	-303.534 kJ/mol-atom	298.15	unspecified	-307.535 (mp-aaaaaccm)	-301.623 (oqmd-4482)	[1] Capelli 2018	Table 1, p. 3, row 3 report
NbF4(g)		-259.292 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 4 report
NbF5 (cr)	NbF5	-302.293 kJ/mol-atom	298.15	unspecified	-323.687 (mp-aaaabbqt)	-314.07 (oqmd-5080)	[1] Capelli 2018	Table 1, p. 3, row 5 report
NbF5 (liq)		-299.917 kJ/mol-atom	298.15	unspecified			[1] Capelli 2018	Table 1, p. 3, row 6 report
NbF5(g)		-286.708 kJ/mol-atom	298.15	model			[1] Capelli 2018	Table 7, p. 6, row 5 report

Other properties

Phase transition (2)

Phase transition, F–Nb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	573 K	573	other: NbF4 disproportionation (P ≃ 6.6 · 10^-4 bar) alloy: Nb 0.2	model	[1] Capelli 2018	Table 8, p. 6, row 4 report
Phase transition	573 K	573	other: NbF4 disproportionation (P ≃ 6.6 · 10^-4 bar) alloy: Nb 0.2	model	[1] Capelli 2018 cites Gortsema 1965 doi	Table 8, p. 6, row 3 report

Heat capacity / entropy / enthalpy (11)

Heat capacity / entropy / enthalpy, F–Nb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S0(298)	44.5767 J/mol-atom/K	298.15	Nb2F10(g) alloy: Nb 0.166667	model	[1] Capelli 2018	Table 7, p. 6, row 6 report
Entropy printed: S0(298)	40.6472 J/mol-atom/K	298.15	Nb3F15(g) alloy: Nb 0.166667	model	[1] Capelli 2018	Table 7, p. 6, row 7 report
Entropy printed: S0(298)	119.93 J/mol-atom/K	298.15	NbF(g) alloy: Nb 0.5	model	[1] Capelli 2018	Table 7, p. 6, row 1 report
Entropy printed: S0(298)	94.9033 J/mol-atom/K	298.15	NbF2(g) alloy: Nb 0.333333	model	[1] Capelli 2018	Table 7, p. 6, row 2 report
Entropy printed: S0(298)	27.685 J/mol-atom/K	298.15	NbF3 (cr) alloy: Nb 0.25	unspecified	[1] Capelli 2018	Table 1, p. 3, row 1 report
Entropy printed: S0(298)	75.0625 J/mol-atom/K	298.15	NbF3(g) alloy: Nb 0.25	model	[1] Capelli 2018	Table 7, p. 6, row 3 report
Entropy printed: S0(298)	27.098 J/mol-atom/K	298.15	NbF4 (cr) alloy: Nb 0.2	unspecified	[1] Capelli 2018	Table 1, p. 3, row 3 report
Entropy printed: S0(298)	66.352 J/mol-atom/K	298.15	NbF4(g) alloy: Nb 0.2	model	[1] Capelli 2018	Table 7, p. 6, row 4 report
Entropy printed: S0(298)	26.7083 J/mol-atom/K	298.15	NbF5 (cr) alloy: Nb 0.166667	unspecified	[1] Capelli 2018	Table 1, p. 3, row 5 report
Entropy printed: S0(298)	33.4383 J/mol-atom/K	298.15	NbF5 (liq) alloy: Nb 0.166667	unspecified	[1] Capelli 2018	Table 1, p. 3, row 6 report
Entropy printed: S0(298)	57.81 J/mol-atom/K	298.15	NbF5(g) alloy: Nb 0.166667	model	[1] Capelli 2018	Table 7, p. 6, row 5 report

Other property (1)

Other property, F–Nb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Other printed: ΔfusH	12.22 unspecified ± 0.06	348.6		experimental	[1] Capelli 2018 cites Brady 1960 doi	p. 2 report	From their data, the standard entropy of formation S0(NbF5, cr, 298 K) = 160.25 ± 3 J K-1 mol-1 and the enthalpy of fusion ΔfusH = 12.22 ± 0.06 kJ mol-1 at Tfus = 348.6 K were also derived.

Sources

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

E. Capelli, R.J.M. Konings, Thermodynamic assessment of the niobium-fluorine system by coupling density functional theory and CALPHAD approach, Journal of Fluorine Chemistry 208, 55-64 (2018). doi:10.1016/j.jfluchem.2018.01.011

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}
}