Na–Sb system

64 accepted literature values from 2 paper(s) (experimental 32, model 28, DFT 4); 2 calculated phase diagram(s). 2 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 (7) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	32
model	28
DFT	4

Accepted values by property group
Property group	Values
invariant reaction	5
phase transition	13
formation	34
heat capacity / entropy / enthalpy	12

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
NaSb-13Liu.tdb	Y. Liu, J. Xu, Z. Kang, J. Wang, Thermochim. Acta, 569, 119-26(2013). doi:10.1016/j.tca.2013.07.009	`35a80346e37417b2fe1442e0cd7a587a6a7cb3ae875da4a68fa196b95c200c48`	viewer · TDB · JSON
NaSb-17Dre.tdb	L. Dreval, M. Zschornak, W. Muenchgesang, O. Fabrichnaya, D. Rafaja, M.L. Martine, L. Giebeler, M. Motylenko, J. Alloys Compd., 695, 1725-42(2017). doi:10.1016/j.jallcom.2016.11.003	`b4cfe0c128f39fbc7ccc8abc05b0637258cbe77f32c8c1c9b7c8c63a8070a228`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
NaSb-13Liu.tdb	710.44	NA3SB_D018 (x(Sb) 0.25) + LIQUID (x(Sb) 0.44241) + NASB (x(Sb) 0.5)
NaSb-13Liu.tdb	671.9	NASB (x(Sb) 0.5) + LIQUID (x(Sb) 0.59703) + RHOMBOHEDRAL_A7 (x(Sb) 1)
NaSb-13Liu.tdb	370.87	BCC_A2 (x(Sb) 0) + LIQUID (x(Sb) 0) + NA3SB_D018 (x(Sb) 0.25)
NaSb-17Dre.tdb	707.91	NA3SB_D018 (x(Sb) 0.25) + LIQUID (x(Sb) 0.44004) + NASB (x(Sb) 0.5)
NaSb-17Dre.tdb	672.97	NASB (x(Sb) 0.5) + LIQUID (x(Sb) 0.60334) + RHOMBOHEDRAL_A7 (x(Sb) 1)
NaSb-17Dre.tdb	370.87	BCC_A2 (x(Sb) 0) + LIQUID (x(Sb) 0) + NA3SB_D018 (x(Sb) 0.25)

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

Invariant reactions (literature)

Invariant reactions reported in the literature for the Na–Sb system (5)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
710	eutectic: liq -> Na3Sb + NaSb	liq: Sb 0.45; Na3Sb: Sb 0.25; NaSb: Sb 0.5	model	[1] Liu 2013	Table 3, p. 5, row 6 report
708	eutectic: liq -> Na3Sb + NaSb	liq: Sb 0.45; Na3Sb: Sb 0.25; NaSb: Sb 0.5	experimental	[1] Liu 2013 cites Mathewson 1906 doi	Table 3, p. 5, row 7 report
672	eutectic: liq -> NaSb + Sb	liq: Sb 0.6; NaSb: Sb 0.5; Sb: Sb 1	model	[1] Liu 2013	Table 3, p. 5, row 11 report
370.9	eutectic: liq -> Na + Na3Sb	Na3Sb: Sb 0.25	model	[1] Liu 2013	Table 3, p. 5, row 1 report
370.8	eutectic: liq -> Na + Na3Sb	Na3Sb: Sb 0.25	experimental	[1] Liu 2013 cites Mathewson 1906 doi	Table 3, p. 5, row 2 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, Na–Sb system (22)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Na3Sb		-1.786 eV	0	DFT			[2] Dreval 2017	Table 3, p. 7, row 20 report
Na3Sb		-1.784 eV	0	DFT			[2] Dreval 2017	Table 3, p. 7, row 19 report
Na3Sb(s)		-234 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 2 report
Na3Sb(s)		-227 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 3 report
Na3Sb(s)		-226 kJ/mol (basis unstated)		model			[1] Liu 2013	Table 2, p. 4, row 1 report
Na3Sb(s)		-213 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Morozova 1959	Table 2, p. 4, row 4 report
Na3Sb(s)		-197 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Kubaschewski 1938	Table 2, p. 4, row 5 report
Na3Sb(s)	Na3Sb	-58.5 kJ/mol-atom	298.15	experimental	-45.951 (mp-aaaaalua)	-50.428 (oqmd-5156)	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 2 report
Na3Sb(s)	Na3Sb	-56.75 kJ/mol-atom	298.15	experimental	-45.951 (mp-aaaaalua)	-50.428 (oqmd-5156)	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 3 report
Na3Sb(s)	Na3Sb	-56.5 kJ/mol-atom		model	-45.951 (mp-aaaaalua)	-50.428 (oqmd-5156)	[1] Liu 2013	Table 2, p. 4, row 1 report
Na3Sb(s)	Na3Sb	-53.25 kJ/mol-atom	298.15	experimental	-45.951 (mp-aaaaalua)	-50.428 (oqmd-5156)	[1] Liu 2013 cites Morozova 1959	Table 2, p. 4, row 4 report
Na3Sb(s)	Na3Sb	-49.25 kJ/mol-atom	298.15	experimental	-45.951 (mp-aaaaalua)	-50.428 (oqmd-5156)	[1] Liu 2013 cites Kubaschewski 1938	Table 2, p. 4, row 5 report
NaSb		-0.679 eV	0	DFT			[2] Dreval 2017	Table 3, p. 7, row 21 report
NaSb		-0.663 eV	0	DFT			[2] Dreval 2017	Table 3, p. 7, row 22 report
NaSb(s)		-75 kJ/mol (basis unstated)		model			[1] Liu 2013	Table 2, p. 4, row 6 report
NaSb(s)		-72 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 8 report
NaSb(s)		-70 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 7 report
NaSb(s)		-66 kJ/mol (basis unstated)	298.15	experimental			[1] Liu 2013 cites Kubaschewski 1938	Table 2, p. 4, row 9 report
NaSb(s)	NaSb	-37.5 kJ/mol-atom		model	-40.415 (mp-aaaaalto)	-37.498 (oqmd-5018)	[1] Liu 2013	Table 2, p. 4, row 6 report
NaSb(s)	NaSb	-36 kJ/mol-atom	298.15	experimental	-40.415 (mp-aaaaalto)	-37.498 (oqmd-5018)	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 8 report
NaSb(s)	NaSb	-35 kJ/mol-atom	298.15	experimental	-40.415 (mp-aaaaalto)	-37.498 (oqmd-5018)	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 7 report
NaSb(s)	NaSb	-33 kJ/mol-atom	298.15	experimental	-40.415 (mp-aaaaalto)	-37.498 (oqmd-5018)	[1] Liu 2013 cites Kubaschewski 1938	Table 2, p. 4, row 9 report

Other properties

Phase transition (13)

Phase transition, Na–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	723 K	723	NaSb	experimental	[1] Liu 2013 cites Redslob 1982 doi	p. 2 report	In addition, the melting temperature of NaSb was also reported by Redslob et al. [10] as 723 K, who utilized electrical conductivity measurements.
Phase transition	723 K	723	congruent transformation	experimental	[2] Dreval 2017 cites Redslob 1982	p. 9 report	In the course of the optimization, it also became clear that the value of 723 K reported in Ref. [30] for the congruent melting of NaSb compound is not reliable, since a better fit to this temperature simultaneously results in a worse description of the conjugated invariant reactions.
Phase transition	723 K	723	liq -> NaSb liq: Sb 0.5; NaSb: Sb 0.5	experimental	[1] Liu 2013 cites Redslob 1982 doi	Table 3, p. 5, row 10 report
Phase transition	738 K	738	congruent transformation	model	[1] Liu 2013 cites Sangster 1993 doi	p. 1 report	According to the assessed phase diagram, two intermetallic phases can be identified, i.e. Na3 Sb and NaSb. Such two intermetallics melt congruently around 1130 and 738 K, respectively.
Phase transition	738 K	738	congruent transformation	experimental	[1] Liu 2013 cites Ugai 1961	p. 2 report	The congruent melting temperatures of Na3 Sb and NaSb were measured by Ugai [9] with thermal analysis, the results of which are 1132 and 738 K, respectively.
Phase transition	738 K	738	liq -> NaSb liq: Sb 0.5; NaSb: Sb 0.5	experimental	[1] Liu 2013 cites Mathewson 1906 doi	Table 3, p. 5, row 9 report
Phase transition	739 K	739	congruent transformation	model	[2] Dreval 2017	p. 9 report	According to our calculations, the congruent melting point of the NaSb compound is 739 K, which is only by 1 K higher than the value reported in Refs. [27,28].
Phase transition	739 K	739	liq -> NaSb liq: Sb 0.5; NaSb: Sb 0.5	model	[1] Liu 2013	Table 3, p. 5, row 8 report
Phase transition	1130 K	1130	congruent transformation	model	[1] Liu 2013 cites Sangster 1993 doi	p. 1 report	According to the assessed phase diagram, two intermetallic phases can be identified, i.e. Na3 Sb and NaSb. Such two intermetallics melt congruently around 1130 and 738 K, respectively.
Phase transition	1130 K	1130	liq -> Na3Sb liq: Sb 0.25; Na3Sb: Sb 0.25	experimental	[1] Liu 2013 cites Mathewson 1906 doi	Table 3, p. 5, row 4 report
Phase transition	1131 K	1131	liq -> Na3Sb liq: Sb 0.25; Na3Sb: Sb 0.25	model	[1] Liu 2013	Table 3, p. 5, row 3 report
Phase transition	1132 K	1132	congruent transformation	experimental	[1] Liu 2013 cites Ugai 1961	p. 2 report	The congruent melting temperatures of Na3 Sb and NaSb were measured by Ugai [9] with thermal analysis, the results of which are 1132 and 738 K, respectively.
Phase transition	1132 K	1132	liq -> Na3Sb liq: Sb 0.25; Na3Sb: Sb 0.25	experimental	[1] Liu 2013 cites Ugai 1961	Table 3, p. 5, row 5 report

Formation (12)

Formation, Na–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: Entropies of formation	-9.775 J/mol-atom/K		Na3Sb(s) alloy: Sb 0.25	model	[1] Liu 2013	Table 2, p. 4, row 1 report
Entropy of formation printed: Entropies of formation	-39.1 J/mol (basis unstated)/K		Na3Sb(s)	model	[1] Liu 2013	Table 2, p. 4, row 1 report
Entropy of formation printed: Entropies of formation	-2.315 J/mol-atom/K		NaSb(s) alloy: Sb 0.5	model	[1] Liu 2013	Table 2, p. 4, row 6 report
Entropy of formation printed: Entropies of formation	-4.63 J/mol (basis unstated)/K		NaSb(s)	model	[1] Liu 2013	Table 2, p. 4, row 6 report
Entropy of formation printed: Entropies of formation	-92 J/mol (basis unstated)/K	298.15	Na3Sb(s)	experimental	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 2 report
Entropy of formation printed: Entropies of formation	-23 J/mol-atom/K	298.15	Na3Sb(s) alloy: Sb 0.25	experimental	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 2 report
Entropy of formation printed: Entropies of formation	-60 J/mol (basis unstated)/K	298.15	Na3Sb(s)	experimental	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 3 report
Entropy of formation printed: Entropies of formation	-15 J/mol-atom/K	298.15	Na3Sb(s) alloy: Sb 0.25	experimental	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 3 report
Entropy of formation printed: Entropies of formation	-8.5 J/mol-atom/K	298.15	NaSb(s) alloy: Sb 0.5	experimental	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 8 report
Entropy of formation printed: Entropies of formation	-17 J/mol (basis unstated)/K	298.15	NaSb(s)	experimental	[1] Liu 2013 cites Voronin 1987	Table 2, p. 4, row 8 report
Entropy of formation printed: Entropies of formation	-7 J/mol (basis unstated)/K	298.15	NaSb(s)	experimental	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 7 report
Entropy of formation printed: Entropies of formation	-3.5 J/mol-atom/K	298.15	NaSb(s) alloy: Sb 0.5	experimental	[1] Liu 2013 cites Voronin 1967	Table 2, p. 4, row 7 report

Heat capacity / entropy / enthalpy (12)

Heat capacity / entropy / enthalpy, Na–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Heat capacity printed: Cp	51.9 J/mol (basis unstated)/K	298.15	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 1 report
Heat capacity printed: Cp	103.69 J/mol (basis unstated)/K	298.15	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 7 report
Heat capacity printed: Cp	51.94 J/mol (basis unstated)/K	300	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 2 report
Heat capacity printed: Cp	53.94 J/mol (basis unstated)/K	400	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 3 report
Heat capacity printed: Cp	105.84 J/mol (basis unstated)/K	400	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 8 report
Heat capacity printed: Cp	55.94 J/mol (basis unstated)/K	500	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 4 report
Heat capacity printed: Cp	57.94 J/mol (basis unstated)/K	600	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 5 report
Heat capacity printed: Cp	110.06 J/mol (basis unstated)/K	600	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 9 report
Heat capacity printed: Cp	59.94 J/mol (basis unstated)/K	700	Na3Sb alloy: Sb 0.25	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 6 report
Heat capacity printed: Cp	114.27 J/mol (basis unstated)/K	800	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 10 report
Heat capacity printed: Cp	118.49 J/mol (basis unstated)/K	1000	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 11 report
Heat capacity printed: Cp	120.6 J/mol (basis unstated)/K	1100	NaSb alloy: Sb 0.5	model	[2] Dreval 2017 cites Thermo-calc 2015	Table 7, p. 11, row 12 report

Sources

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

Yajun Liu, Jun Xu, Zhitao Kang, Jiang Wang, Thermodynamic descriptions and phase diagrams for Sb–Na and Sb–K binary systems, Thermochimica Acta 569, 119-126 (2013). doi:10.1016/j.tca.2013.07.009
Liya Dreval, Matthias Zschornak, Wolfram Münchgesang, Olga Fabrichnaya, David Rafaja, Miléna L. Martine et al., Thermodynamic assessment and first principle calculations of the Na Sb Sn system, Journal of Alloys and Compounds 695, 1725-1742 (2017). doi:10.1016/j.jallcom.2016.11.003

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}
}