Mg–Sb system

42 accepted literature values from 2 paper(s) (experimental 6, model 34, unspecified 2); 3 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 (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	6
model	34
unspecified	2

Accepted values by property group
Property group	Values
invariant reaction	15
phase transition	1
formation	20
heat capacity / entropy / enthalpy	4
crystal structure	2

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
MgSb-05Bal.tdb	T. Balakumar, M. Medraj, Calphad, 29, 24-36(2005). doi:10.1016/j.calphad.2005.03.001	`f1acf5dba3a7cdc8b2a8042ea7172a76385dbd076228abbe4554e0e77bb115dc`	viewer · TDB · JSON
MgSb-21Zha.tdb	J. Zhang, J. Wang, Y. Yuan, Calphad, 75, 102361(2021). doi:10.1016/j.calphad.2021.102361	`2dfe7cc47cfb6b8e0b3c4a659df00598fe694bfa105fbc9a42e6eedf56d0efdf`	viewer · TDB · JSON
MgSb-87Jon.tdb	B. Joensson, J. Agren, Metall. Trans. A, 18A, 1395-1401(1987). doi:10.1007/BF02646653	`9ad9f434fc7c389f36c6de1248379c0141452516879fcfa94abd1548cf6d7f22`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MgSb-05Bal.tdb	1191.83	MG3SB2_D53 (x(Sb) 0.39769) + MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.44953)
MgSb-05Bal.tdb	1181.68	LIQUID (x(Sb) 0.32559) + MG3SB2_D53 (x(Sb) 0.37561) + MG3SB2_D52 (x(Sb) 0.4)
MgSb-05Bal.tdb	902.18	HCP_A3 (x(Sb) 0) + LIQUID (x(Sb) 0.07648) + MG3SB2_D52 (x(Sb) 0.4)
MgSb-05Bal.tdb	902.18	HCP_A3 (x(Sb) 0) + LIQUID (x(Sb) 0.07627) + MG3SB2_D52 (x(Sb) 0.4)
MgSb-05Bal.tdb	854.9	MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.90078) + RHOMBOHEDRAL_A7 (x(Sb) 1)
MgSb-05Bal.tdb	854.9	MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.901) + RHOMBOHEDRAL_A7 (x(Sb) 1)
MgSb-21Zha.tdb	1203.91	MG3SB2_D53 (x(Sb) 0.39984) + MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.47072)
MgSb-21Zha.tdb	1166.72	LIQUID (x(Sb) 0.31516) + MG3SB2_D53 (x(Sb) 0.38351) + MG3SB2_D52 (x(Sb) 0.39337)
MgSb-21Zha.tdb	901.69	HCP_A3 (x(Sb) 7.100e-4) + LIQUID (x(Sb) 0.04766) + MG3SB2_D52 (x(Sb) 0.37942)
MgSb-21Zha.tdb	853.07	MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.85782) + RHOMBOHEDRAL_A7 (x(Sb) 1)
MgSb-87Jon.tdb	1203.07	MG3SB2_D53 (x(Sb) 0.39929) + MG3SB2_D52 (x(Sb) 0.4) + ION (x(Sb) 0.45982)
MgSb-87Jon.tdb	1165.55	ION (x(Sb) 0.30266) + MG3SB2_D53 (x(Sb) 0.38376) + MG3SB2_D52 (x(Sb) 0.4)
MgSb-87Jon.tdb	901.11	HCP_A3 (x(Sb) 0) + ION (x(Sb) 0.02542) + MG3SB2_D52 (x(Sb) 0.4)
MgSb-87Jon.tdb	851.75	MG3SB2_D52 (x(Sb) 0.4) + ION (x(Sb) 0.84712) + RHOMBOHEDRAL_A7 (x(Sb) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MgSb-05Bal · CALPHAD hull MgSb-87Jon

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mg–Sb system (15)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1203	β/α/Liq	β: Sb 0.399; α: Sb 0.4; Liq: Sb 0.452	model	[1] Jönsson 1987	Table I, p. 4, row 4 report
1167	Liq/β/α	Liq: Sb 0.31; β: Sb 0.384; α: Sb 0.4	model	[1] Jönsson 1987	Table I, p. 4, row 3 report
902	L = (Mg) + α-Mg3Sb2	L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Eremenko 1964	Table 7, p. 9, row 4 report
902	L = (Mg) + α-Mg3Sb2	L: Sb 0.026; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Jonsson 1987 doi	Table 7, p. 9, row 1 report
902	L = (Mg) + α-Mg3Sb2	L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Hansen 1958	Table 7, p. 9, row 3 report
902	L = (Mg) + α-Mg3Sb2	L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Grube 1934	Table 7, p. 9, row 2 report
902	HCP/Liq/α*	HCP: Sb 0; Liq: Sb 0.026; α*: Sb 0.4	model	[1] Jönsson 1987	Table I, p. 4, row 2 report
902	L = (Mg) + α-Mg3Sb2	L: Sb 0.076; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005	Table 7, p. 9, row 5 report
898.8	eutectic: L -> α-Mg3Sb2 + (Mg)	L: Mg 0.93, Sb 0.063	model	[2] Balakumar 2005	Table 9, p. 10, row 2 report
854	L = (Sb) + α-Mg3Sb2	L: Sb 0.9; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005	Table 7, p. 9, row 10 report
852	α/Liq/α-Sb	α: Sb 0.4; Liq: Sb 0.848; α-Sb: Sb 1	model	[1] Jönsson 1987	Table I, p. 4, row 5 report
852	L = (Sb) + α-Mg3Sb2	L: Sb 0.86; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Grube 1934	Table 7, p. 9, row 7 report
852	L = (Sb) + α-Mg3Sb2	L: Sb 0.848; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Jonsson 1987 doi	Table 7, p. 9, row 6 report
852	L = (Sb) + α-Mg3Sb2	L: Sb 0.87; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Eremenko 1964	Table 7, p. 9, row 9 report
852	L = (Sb) + α-Mg3Sb2	L: Sb 0.86; α-Mg3Sb2: Mg 0.6, Sb 0.4	model	[2] Balakumar 2005 cites Hansen 1958	Table 7, p. 9, row 8 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, Mg–Sb system (16)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Mg3Sb2	Mg3Sb2	-64 kJ/mol-atom ± 8	800	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987 cites Hultgren 1973	Table 1I, p. 4, row 8 report
Mg3Sb2	Mg3Sb2	-60 kJ/mol-atom	298.15	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987 cites Barin 1977 doi	Table 1I, p. 4, row 2 report
Mg3Sb2	Mg3Sb2	-59.8 kJ/mol-atom ± 0.6	900	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987 cites Rao 1971	Table 1I, p. 4, row 10 report
Mg3Sb2	Mg3Sb2	-57 kJ/mol-atom	923	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987 cites Kubaschewski 1939	Table 1I, p. 4, row 12 report
Mg3Sb2	Mg3Sb2	-55.2 kJ/mol-atom	298.15	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987	Table 1I, p. 4, row 1 report
Mg3Sb2	Mg3Sb2	-53.2 kJ/mol-atom	773	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987	Table 1I, p. 4, row 5 report
Mg3Sb2	Mg3Sb2	-53.2 kJ/mol-atom	800	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987	Table 1I, p. 4, row 7 report
Mg3Sb2	Mg3Sb2	-52.6 kJ/mol-atom	900	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987	Table 1I, p. 4, row 9 report
Mg3Sb2	Mg3Sb2	-52.4 kJ/mol-atom	923	model	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987	Table 1I, p. 4, row 11 report
Mg3Sb2	Mg3Sb2	-47 kJ/mol-atom ± 1.2	773	experimental	-43.056 (mp-aaacqblj)	-36.528 (oqmd-116230)	[1] Jönsson 1987 cites Eremenko 1964	Table 1I, p. 4, row 6 report
α-Mg3Sb2		-490 kJ/mol (basis unstated)	298.15	model			[2] Balakumar 2005	Table 8, p. 9, row 6 report
α-Mg3Sb2		-320 kJ/mol (basis unstated) ± 40	800	model			[2] Balakumar 2005 cites Hultgren 1973	Table 8, p. 9, row 4 report
α-Mg3Sb2		-300 kJ/mol (basis unstated)	298.15	model			[2] Balakumar 2005 cites Barin 1977	Table 8, p. 9, row 5 report
α-Mg3Sb2		-299 kJ/mol (basis unstated) ± 3	900	experimental			[2] Balakumar 2005 cites Rao 1971	Table 8, p. 9, row 1 report
α-Mg3Sb2		-285 kJ/mol (basis unstated)	923	experimental			[2] Balakumar 2005 cites Kubaschewski 1939	Table 8, p. 9, row 3 report
α-Mg3Sb2		-235 kJ/mol (basis unstated) ± 6	773	experimental			[2] Balakumar 2005 cites Eremenko 1964	Table 8, p. 9, row 2 report

Other properties

Phase transition (1)

Phase transition, Mg–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1518 K	1518	Liq/β* Liq: Sb 0.399; β*: Sb 0.399	model	[1] Jönsson 1987	Table I, p. 4, row 1 report

Formation (4)

Formation, Mg–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔSf	-54 J/mol (basis unstated)/K	298.15	α-Mg3Sb2 alloy: Sb 0.4	model	[2] Balakumar 2005	Table 8, p. 9, row 6 report
Entropy of formation printed: ΔSf	-15 J/mol (basis unstated)/K ± 10	773	α-Mg3Sb2 alloy: Sb 0.4	experimental	[2] Balakumar 2005 cites Eremenko 1964	Table 8, p. 9, row 2 report
Entropy of formation printed: ΔSf	-91 J/mol (basis unstated)/K ± 52	800	α-Mg3Sb2 alloy: Sb 0.4	model	[2] Balakumar 2005 cites Hultgren 1973	Table 8, p. 9, row 4 report
Entropy of formation printed: ΔSf	-59 J/mol (basis unstated)/K ± 5	900	α-Mg3Sb2 alloy: Sb 0.4	experimental	[2] Balakumar 2005 cites Rao 1971	Table 8, p. 9, row 1 report

Heat capacity / entropy / enthalpy (4)

Heat capacity / entropy / enthalpy, Mg–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S^α_298	26.06 J/mol-atom/K	298.15	Mg3Sb2 alloy: Sb 0.4	model	[1] Jönsson 1987 cites Barin 1977 doi	Table 1I, p. 4, row 4 report
Entropy printed: S°α 298	29 J/mol-atom/K	298.15	Mg3Sb2 alloy: Sb 0.4	model	[1] Jönsson 1987	Table 1I, p. 4, row 3 report
Entropy printed: ΔS α→β 1203	88.2 J/mol, K per formula unit	1203	Mg3Sb2 alloy: Sb 0.4	model	[1] Jönsson 1987	Table 1I, p. 4, row 15 report
Entropy printed: ΔS α→β 1203	61.2 J/mol, K per formula unit	1203	Mg3Sb2 alloy: Sb 0.4	model	[1] Jönsson 1987 cites Barin 1977 doi	Table 1I, p. 4, row 16 report

Crystal structure (2)

Crystal structure, Mg–Sb system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Lattice a	4.5822 Å	298.15	α-Mg3Sb2 α-Mg3Sb2: Mg 0.6, Sb 0.4	unspecified	[2] Balakumar 2005 cites Nayeb-Hashemi 1985	Table 1, p. 4, row 2 report
Lattice c	7.2436 Å	298.15	α-Mg3Sb2 α-Mg3Sb2: Mg 0.6, Sb 0.4	unspecified	[2] Balakumar 2005 cites Nayeb-Hashemi 1985	Table 1, p. 4, row 2 report

Sources

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

Björn Jönsson, John Ågren, A theoretical evaluation of chemical ordering and glass transition in liquid Mg-Sb alloys, Metall Trans A 18, 1395-1401 (1987). doi:10.1007/bf02646653
T. Balakumar, M. Medraj, Thermodynamic modeling of the Mg–Al–Sb system, Calphad 29, 24-36 (2005). doi:10.1016/j.calphad.2005.03.001

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}
}