Nb–Re system

42 accepted literature values from 2 paper(s) (experimental 12, model 24, DFT 6); 2 calculated phase diagram(s). 8 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	12
model	24
DFT	6

Accepted values by property group
Property group	Values
invariant reaction	20
phase transition	1
formation	13
heat capacity / entropy / enthalpy	2
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
NbRe-13Liu.tdb	X.L. Liu, C.Z. Hargather, Z.-K. Liu, Calphad, 41, 119-27(2013). doi:10.1016/j.calphad.2013.02.006	`9127581a18abfbf796e89ef8697ff3e913d6ac69087a786efa45855308b83b12`	viewer · TDB · JSON
NbRe-20Yen.tdb	S. Yen, S. Wu, M.A. Makhraja, K. Lo, A. Yeh, K. Yoshimi, C. Zhang, S. Lin, Calphad, 70, 101797(2020). doi:10.1016/j.calphad.2020.101797	`a3f16c73704aef3b4dea70b7faa4dd235462965e98bca54cc37a5d1cc7e42b6e`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
NbRe-13Liu.tdb	2982.47	CHI_A12 (x(Re) 0.85394) + LIQUID (x(Re) 0.86561) + HCP_A3 (x(Re) 0.97743)
NbRe-13Liu.tdb	2831.78	LIQUID (x(Re) 0.53985) + SIGMA_D8B (x(Re) 0.59992) + CHI_A12 (x(Re) 0.65735)
NbRe-13Liu.tdb	2724.38	BCC_A2 (x(Re) 0.45815) + LIQUID (x(Re) 0.46233) + SIGMA_D8B (x(Re) 0.568)
NbRe-13Liu.tdb	2439.06	BCC_A2 (x(Re) 0.46955) + SIGMA_D8B (x(Re) 0.57061) + CHI_A12 (x(Re) 0.63616)
NbRe-20Yen.tdb	2990.17	CHI_A12 (x(Re) 0.85278) + LIQUID (x(Re) 0.86135) + HCP_A3 (x(Re) 0.97513)
NbRe-20Yen.tdb	2804.19	LIQUID (x(Re) 0.53095) + SIGMA_D8B (x(Re) 0.56368) + CHI_A12 (x(Re) 0.61944)
NbRe-20Yen.tdb	2703.45	BCC_A2 (x(Re) 0.4333) + LIQUID (x(Re) 0.45597) + SIGMA_D8B (x(Re) 0.52522)
NbRe-20Yen.tdb	2435.76	BCC_A2 (x(Re) 0.45194) + SIGMA_D8B (x(Re) 0.54229) + CHI_A12 (x(Re) 0.60144)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull NbRe-13Liu

Invariant reactions (literature)

Invariant reactions reported in the literature for the Nb–Re system (20)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
3004	Liquid ↔ hcp + χ	L: Re 0.88	experimental	[1] Yen 2020 cites Giessen 1961	Table VIII, p. 44, row 4 report
3004	eutectic: L -> χ + hcp (eutectic)	L: Re 0.88	experimental	[2] Liu 2013 cites Giessen 1961	Table 6, p. 9, row 8 report
2990	Liquid ↔ hcp + χ	L: Re 0.861	model	[1] Yen 2020	Table VIII, p. 44, row 6 report
2982	eutectic: L -> χ + hcp (eutectic)	L: Re 0.87	model	[2] Liu 2013	Table 6, p. 9, row 7 report
2982	Liquid ↔ hcp + χ	L: Re 0.87	DFT	[1] Yen 2020 cites Liu 2013	Table VIII, p. 44, row 5 report
2843	Liquid + χ ↔ σ	L: Re 0.53	experimental	[1] Yen 2020 cites Giessen 1961	Table VIII, p. 44, row 7 report
2843	peritectic: L + χ -> σ (peritectic)	L: Re 0.53	experimental	[2] Liu 2013 cites Giessen 1961	Table 6, p. 9, row 4 report
2831	Liquid ↔ bcc + σ	L: Re 0.46	DFT	[1] Yen 2020 cites Liu 2013	Table VIII, p. 44, row 2 report
2831	Liquid + χ ↔ σ	L: Re 0.54	DFT	[1] Yen 2020 cites Liu 2013	Table VIII, p. 44, row 8 report
2831	peritectic: L + χ -> σ (peritectic)	L: Re 0.54	model	[2] Liu 2013	Table 6, p. 9, row 3 report
2804	Liquid + χ ↔ σ	L: Re 0.531	model	[1] Yen 2020	Table VIII, p. 44, row 9 report
2740	eutectic: L -> bcc + σ (eutectic)	L: Re 0.48	experimental	[2] Liu 2013 cites Giessen 1961	Table 6, p. 9, row 2 report
2740	Liquid ↔ bcc + σ	L: Re 0.48	experimental	[1] Yen 2020 cites Giessen 1961	Table VIII, p. 44, row 1 report
2724	eutectic: L -> bcc + σ (eutectic)	bcc: Re 0.46	model	[2] Liu 2013	Table 6, p. 9, row 1 report
2703	Liquid ↔ bcc + σ	L: Re 0.456	model	[1] Yen 2020	Table VIII, p. 44, row 3 report
2460	σ ↔ bcc + χ		experimental	[1] Yen 2020 cites Giessen 1961	Table VIII, p. 44, row 10 report
2460	eutectoid: σ -> bcc + χ (eutectoid)	σ: Re 0.54	experimental	[2] Liu 2013 cites Giessen 1961	Table 6, p. 9, row 6 report
2441	eutectoid: σ -> bcc + χ (eutectoid)	σ: Re 0.57	model	[2] Liu 2013	Table 6, p. 9, row 5 report
2441	σ ↔ bcc + χ		model	[1] Yen 2020 cites Liu 2013	Table VIII, p. 44, row 11 report
2436	σ ↔ bcc + χ		model	[1] Yen 2020	Table VIII, p. 44, row 12 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, Nb–Re system (5)
Phase	Value	T (K)	Class	Source	Location
(σ)	-13.588 kJ/mol-atom	298.15	model	[2] Liu 2013	Table 3, p. 5, row 2 report
(σ)	-2.247 kJ/mol-atom	298.15	model	[2] Liu 2013	Table 3, p. 5, row 1 report
(χ)	-13.542 kJ/mol-atom	298.15	model	[2] Liu 2013	Table 3, p. 5, row 4 report
(χ)	-10.519 kJ/mol-atom	298.15	model	[2] Liu 2013	Table 3, p. 5, row 6 report
(χ)	4.359 kJ/mol-atom	298.15	model	[2] Liu 2013	Table 3, p. 5, row 5 report

Other properties

Phase transition (1)

Phase transition, Nb–Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	3073 K	3073	congruent transformation	experimental	[2] Liu 2013 cites Knapton 1959 doi	p. 2 report	Knapton also noted the congruent melting of χ at 3073 K [6].

Formation (8)

Formation, Nb–Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔfS	-2.033 J/mol-atom/K	298.15	(σ)	model	[2] Liu 2013	Table 3, p. 5, row 1 report
Entropy of formation printed: ΔfS	-0.068 J/mol-atom/K	298.15	(σ)	model	[2] Liu 2013	Table 3, p. 5, row 1 report
Entropy of formation printed: ΔfS	-0.692 J/mol-atom/K	298.15	(σ)	model	[2] Liu 2013	Table 3, p. 5, row 2 report
Entropy of formation printed: ΔfS	-0.023 J/mol-atom/K	298.15	(σ)	model	[2] Liu 2013	Table 3, p. 5, row 2 report
Entropy of formation printed: ΔfS	0.88 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 5 report
Entropy of formation printed: ΔfS	0.492 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 4 report
Entropy of formation printed: ΔfS	0.237 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 6 report
Entropy of formation printed: ΔfS	13.751 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 6 report

Heat capacity / entropy / enthalpy (2)

Heat capacity / entropy / enthalpy, Nb–Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: ΔfS	51.029 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 5 report
Entropy printed: ΔfS	28.528 J/mol-atom/K	298.15	(χ)	model	[2] Liu 2013	Table 3, p. 5, row 4 report

Crystal structure (6)

Crystal structure, Nb–Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	9.782 Å		σ	experimental	[2] Liu 2013 cites Joubert 2008 doi	Table 1, p. 4, row 8 report
Lattice a	9.779 Å	0	σ-(Re)10(Nb)4(Nb)16	DFT	[2] Liu 2013	Table 1, p. 4, row 7 report
Lattice a	9.676 Å		χ	experimental	[2] Liu 2013 cites Joubert 2009 doi	Table 1, p. 4, row 10 report
Lattice a	9.677 Å	0	χ-(Re)24(Nb)10(Re)24	DFT	[2] Liu 2013	Table 1, p. 4, row 9 report
lattice c a	0.521 not_printed		σ	experimental	[2] Liu 2013 cites Joubert 2008 doi	Table 1, p. 4, row 8 report
lattice c a	0.523 not_printed	0	σ-(Re)10(Nb)4(Nb)16	DFT	[2] Liu 2013	Table 1, p. 4, row 7 report

Sources

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

Shao-yu Yen, Shu-chang Wu, M. Anshar Makhraja, Kai-chi Lo, An-chou Yeh, Kyosuke Yoshimi et al., Phase equilibria and thermodynamic assessment of the Mo–Nb-Re ternary system, Calphad 70, 101797 (2020). doi:10.1016/j.calphad.2020.101797
Xuan L. Liu, Chelsey Z. Hargather, Zi-Kui Liu, First-principles aided thermodynamic modeling of the Nb–Re system, Calphad 41, 119-127 (2013). doi:10.1016/j.calphad.2013.02.006

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}
}