Ga–Nb system

19 accepted literature values from 1 paper(s) (experimental 6, model 12, DFT 1); 1 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (12) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	6
model	12
DFT	1

Accepted values by property group
Property group	Values
invariant reaction	2
formation	17

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
GaNb-23Tam.tdb	R. Tamim, O. Rapaud, R. Boulesteix, A. Maitre, Calphad, 82, 102596(2023). doi:10.1016/j.calphad.2023.102596	`b16cd159aa8a4628bee89700d5e4f3b65134b84b88b8dd1653b5fc92b29642b5`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
GaNb-23Tam.tdb	2126.41	LIQUID (x(Nb) 0.77305) + GANB3_A15 (x(Nb) 0.79719) + BCC_A2 (x(Nb) 0.84335)
GaNb-23Tam.tdb	2039.75	GA3NB5_D8M (x(Nb) 0.625) + LIQUID (x(Nb) 0.72603) + GANB3_A15 (x(Nb) 0.78016)
GaNb-23Tam.tdb	2039.75	GA3NB5_D8M (x(Nb) 0.625) + LIQUID (x(Nb) 0.72592) + GANB3_A15 (x(Nb) 0.78013)
GaNb-23Tam.tdb	1804.68	LIQUID (x(Nb) 0.38769) + GA4NB5 (x(Nb) 0.55556) + GA3NB5_D8M (x(Nb) 0.625)
GaNb-23Tam.tdb	1804.68	LIQUID (x(Nb) 0.38791) + GA4NB5 (x(Nb) 0.55556) + GA3NB5_D8M (x(Nb) 0.625)
GaNb-23Tam.tdb	1567.57	LIQUID (x(Nb) 0.16615) + GA5NB4 (x(Nb) 0.44444) + GA4NB5 (x(Nb) 0.55556)
GaNb-23Tam.tdb	1567.57	LIQUID (x(Nb) 0.16591) + GA5NB4 (x(Nb) 0.44444) + GA4NB5 (x(Nb) 0.55556)
GaNb-23Tam.tdb	1567.57	LIQUID (x(Nb) 0.16625) + GA5NB4 (x(Nb) 0.44444) + GA4NB5 (x(Nb) 0.55556)
GaNb-23Tam.tdb	1544.7	LIQUID (x(Nb) 0.13629) + GA4NB (x(Nb) 0.2) + GA5NB4 (x(Nb) 0.44444)
GaNb-23Tam.tdb	1544.7	LIQUID (x(Nb) 0.13637) + GA4NB (x(Nb) 0.2) + GA5NB4 (x(Nb) 0.44444)
GaNb-23Tam.tdb	1544.7	LIQUID (x(Nb) 0.13663) + GA4NB (x(Nb) 0.2) + GA5NB4 (x(Nb) 0.44444)
GaNb-23Tam.tdb	1531.43	GA4NB (x(Nb) 0.2) + GA13NB5 (x(Nb) 0.27778) + GA5NB4 (x(Nb) 0.44444)
GaNb-23Tam.tdb	1446.2	LIQUID (x(Nb) 0.0462) + GA4NB (x(Nb) 0.2) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1446.2	LIQUID (x(Nb) 0.04617) + GA4NB (x(Nb) 0.2) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1446.2	LIQUID (x(Nb) 0.04607) + GA4NB (x(Nb) 0.2) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1446.2	LIQUID (x(Nb) 0.04607) + GA4NB (x(Nb) 0.2) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1393.64	LIQUID (x(Nb) 0.0307) + GA3NB_D022 (x(Nb) 0.25) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1393.64	LIQUID (x(Nb) 0.03062) + GA3NB_D022 (x(Nb) 0.25) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	1393.64	LIQUID (x(Nb) 0.0306) + GA3NB_D022 (x(Nb) 0.25) + GA13NB5 (x(Nb) 0.27778)
GaNb-23Tam.tdb	302.91	ORTHORHOMBIC_A11 (x(Nb) 0) + LIQUID (x(Nb) 0) + GA3NB_D022 (x(Nb) 0.25)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ga–Nb system (2)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1806.15	peritectoid: Ga13Nb5 ↔ ht_Ga4Nb + Ga5Nb4		experimental	[1] Tamim 2023 cites Okamoto 1990	Table 1, p. 7, row 17 report
1795.15	peritectoid: Ga13Nb5 ↔ ht_Ga4Nb + Ga5Nb4		model	[1] Tamim 2023	Table 1, p. 7, row 18 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, Ga–Nb system (17)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ga13Nb5	Ga13Nb5	-27.448 kJ/mol-atom	298.15	model	-23.383 (mp-aaaaabpg)	-30.729 (oqmd-30300)	[1] Tamim 2023	Table 2, p. 8, row 6 report
Ga13Nb5	Ga13Nb5	-20.501 kJ/mol-atom	298.15	model	-23.383 (mp-aaaaabpg)	-30.729 (oqmd-30300)	[1] Tamim 2023 cites De 1988	Table 2, p. 8, row 5 report
Ga3Nb		-38.5 per mol-atom ± 3	298.15	experimental			[1] Tamim 2023 cites Belgacem-Bouzida 2016	Table 2, p. 8, row 3 report
Ga3Nb	Ga3Nb	-26.911 kJ/mol-atom	298.15	model	-29.762 (mp-aaaaacxx)	-29.551 (oqmd-30302)	[1] Tamim 2023	Table 2, p. 8, row 4 report
Ga3Nb5	Ga3Nb5	-39.6 kJ/mol-atom ± 1	298.15	experimental	-32.041 (mp-aaabglqj)	-32.471 (oqmd-30301)	[1] Tamim 2023 cites Kober 1986	Table 2, p. 8, row 12 report
Ga3Nb5		-32.89 kJ/mol-atom	298.15	DFT			[1] Tamim 2023 cites Colinet 2015	Table 2, p. 8, row 13 report
Ga3Nb5	Ga3Nb5	-28.953 kJ/mol-atom	298.15	model	-32.041 (mp-aaabglqj)	-32.471 (oqmd-30301)	[1] Tamim 2023	Table 2, p. 8, row 15 report
Ga3Nb5	Ga3Nb5	-27.43 kJ/mol-atom	298.15	model	-32.041 (mp-aaabglqj)	-32.471 (oqmd-30301)	[1] Tamim 2023 cites De 1988	Table 2, p. 8, row 14 report
Ga3Nb5	Ga3Nb5	-26.5 kJ/mol-atom ± 1.7	1373	experimental	-32.041 (mp-aaabglqj)	-32.471 (oqmd-30301)	[1] Tamim 2023 cites Meschel 2000 doi	Table 2, p. 8, row 11 report
Ga4Nb5	Ga4Nb5	-33.02 kJ/mol-atom	298.15	model	-33.577 (mp-aaaabaro)	-33.569 (oqmd-17262)	[1] Tamim 2023	Table 2, p. 8, row 10 report
Ga4Nb5	Ga4Nb5	-29.575 kJ/mol-atom	298.15	model	-33.577 (mp-aaaabaro)	-33.569 (oqmd-17262)	[1] Tamim 2023 cites De 1988	Table 2, p. 8, row 9 report
Ga5Nb4	Ga5Nb4	-30.803 kJ/mol-atom	298.15	model	-32.391 (mp-aaacqaiu)		[1] Tamim 2023	Table 2, p. 8, row 8 report
Ga5Nb4	Ga5Nb4	-29 kJ/mol-atom ± 1	1673	experimental	-32.391 (mp-aaacqaiu)		[1] Tamim 2023 cites Belgacem-Bouzida 2016	Table 2, p. 8, row 7 report
GaNb3	GaNb3	-20.036 kJ/mol-atom	298.15	model	-16.594 (mp-aaaaadys)	-17.217 (oqmd-18843)	[1] Tamim 2023	Table 2, p. 8, row 17 report
GaNb3	GaNb3	-17 kJ/mol-atom ± 1	1723	experimental	-16.594 (mp-aaaaadys)	-17.217 (oqmd-18843)	[1] Tamim 2023 cites Belgacem-Bouzida 2016	Table 2, p. 8, row 16 report
ht_Ga4Nb		-15.083 kJ/mol-atom	298.15	model			[1] Tamim 2023	Table 2, p. 8, row 2 report
ht_Ga4Nb		-14.908 kJ/mol-atom	298.15	model			[1] Tamim 2023 cites De 1988	Table 2, p. 8, row 1 report

Sources

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

Rkia Tamim, Olivier Rapaud, Rémy Boulesteix, Alexandre Maître, Thermodynamic assessment of the Ga–Gd, Ga–Nb and Gd–Nb binary phase diagrams towards the Ga–Gd–Nb system, Calphad 82, 102596 (2023). doi:10.1016/j.calphad.2023.102596

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}
}