Mg–Zr system

32 accepted literature values from 3 paper(s) (experimental 5, model 14, DFT 13); 3 calculated phase diagram(s). 5 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 (4) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	5
model	14
DFT	13

Accepted values by property group
Property group	Values
invariant reaction	11
mixing / partial	19
heat capacity / entropy / enthalpy	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
MgZr-05Arr.tdb	R. Arroyave, D. Shin, Z.-K. Liu, Calphad, 29, 230-38(2005). doi:10.1016/j.calphad.2005.07.004	`85f4adae387c05b410e6af37c8458ff91b3391face9de49049b2d171cd05b29a`	viewer · TDB · JSON
MgZr-98Ham-LB.tdb	M. Hamalainen, COST 507, Final report round 2, 1998. doi:10.1016/S0364-5916(98)00037-6	`248bb7c6c96c2e24ac1f35c297c4fb1ac6e66505267ff1e89fa288da038e68aa`	viewer · TDB · JSON
MgZr-98Ham-alt.tdb	M. Hamalainen, K. Zeng, Calphad, 22, 375-80(1998). doi:10.1016/S0364-5916(98)00037-6	`d680df7ab518a37341a526a6eb51d4578f881122227bbde1c56f7a06aff1db59`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MgZr-05Arr.tdb	2121.16	LIQUID (x(Zr) 0.00822) + LIQUID#2 (x(Zr) 0.99178) + BCC_A2 (x(Zr) 0.99574)
MgZr-05Arr.tdb	1139.24	LIQUID (x(Zr) 0.0027) + HCP_A3 (x(Zr) 0.99776) + BCC_A2 (x(Zr) 0.99787)
MgZr-05Arr.tdb	927.71	LIQUID (x(Zr) 0.00153) + HCP_A3#2 (x(Zr) 0.00731) + HCP_A3 (x(Zr) 0.99794)
MgZr-98Ham-LB.tdb	2104.84	LIQUID (x(Zr) 0.01475) + LIQUID#2 (x(Zr) 0.98525) + BCC_A2 (x(Zr) 0.99901)
MgZr-98Ham-LB.tdb	1154.63	LIQUID (x(Zr) 0.00315) + HCP_A3 (x(Zr) 0.99296) + BCC_A2 (x(Zr) 0.999)
MgZr-98Ham-LB.tdb	1154.63	LIQUID (x(Zr) 0.00315) + HCP_A3 (x(Zr) 0.99296) + BCC_A2 (x(Zr) 0.999)
MgZr-98Ham-LB.tdb	926.57	LIQUID (x(Zr) 0.00136) + HCP_A3#2 (x(Zr) 0.00575) + HCP_A3 (x(Zr) 0.99733)
MgZr-98Ham-alt.tdb	2122.4	LIQUID (x(Zr) 0.00766) + LIQUID#2 (x(Zr) 0.99234) + BCC_A2 (x(Zr) 0.99556)
MgZr-98Ham-alt.tdb	2122.4	LIQUID#2 (x(Zr) 0.00766) + LIQUID (x(Zr) 0.99234) + BCC_A2 (x(Zr) 0.99556)
MgZr-98Ham-alt.tdb	1137.31	LIQUID (x(Zr) 0.00221) + BCC_A2 (x(Zr) 0.9864) + HCP_A3 (x(Zr) 0.98709)
MgZr-98Ham-alt.tdb	926.71	LIQUID (x(Zr) 0.00119) + HCP_A3#2 (x(Zr) 0.00576) + HCP_A3 (x(Zr) 0.99424)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MgZr-98Ham-LB · CALPHAD hull MgZr-98Ham-alt

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mg–Zr system (11)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
2121.16	monotectic: L -> L#2 + bcc(Zr)	L: Zr 0.00822; L#2: Zr 0.992; bcc(Zr): Zr 0.996	model	[1] Arroyave 2005	Table 4, p. 8, row 7 report
2104.8	monotectic: Liquid" -> Liquid' + bcc-A2	Liquid": Zr 0.985; Liquid': Zr 0.015; bcc-A2: Zr 0.999	model	[2] (ed.) 1998	Table I, p. 251, row 2 report
1154.6	peritectic: Liquid' + bcc-A2 -> hcp-A3	Liquid': Zr 0.003; bcc-A2: Zr 1; hcp-A3: Zr 0.993	model	[2] (ed.) 1998	Table I, p. 251, row 1 report
1139.55	L + bcc(Zr) -> hcp(Zr)	L: Zr 0.00221; bcc(Zr): Zr 0.986	model	[1] Arroyave 2005 cites Hamalainen 1998 doi	Table 4, p. 8, row 6 report
1137.15	L + bcc(Zr) -> hcp(Zr)	L: Zr 0.00198	experimental	[1] Arroyave 2005 cites Nayeb-Hashemi 1985 doi	Table 4, p. 8, row 4 report
1137.1	L + bcc(Zr) -> hcp(Zr)	L: Zr 0.00227; bcc(Zr): Zr 0.998	model	[1] Arroyave 2005	Table 4, p. 8, row 5 report
927.75	L + hcp(Zr) -> hcp(Mg)	L: Zr 0.00153; hcp(Zr): Zr 0.998; hcp(Mg): Zr 0.00731	model	[1] Arroyave 2005	Table 4, p. 8, row 2 report
926.75	L + hcp(Zr) -> hcp(Mg)	L: Zr 0.00119; hcp(Zr): Zr 0.994; hcp(Mg): Zr 0.00576	model	[1] Arroyave 2005 cites Hamalainen 1998 doi	Table 4, p. 8, row 3 report
926.75	L + hcp(Zr) -> hcp(Mg)	L: Zr 0.00161; hcp(Mg): Zr 0.01042	experimental	[1] Arroyave 2005 cites Nayeb-Hashemi 1985 doi	Table 4, p. 8, row 1 report
926.65	peritectic: hcp(Zr) + liquid → hcp(Mg)		experimental	[1] Arroyave 2005 cites Mellor 1950	p. 3 report	By using thermal analysis, metallography, acidic dilution and resistivity measurements, several researchers [30,32,33, 36,39] determined the temperature and phase compositions at the peritectic reaction hcp(Zr) + liquid → hcp(Mg). The temperature for this reaction has been confidently determined to be 653.5 ± 0.5 ◦ C.
926.6	peritectic: Liquid' + hcp-A3" -> hcp-A3'	Liquid': Zr 0.001; hcp-A3": Zr 0.997; hcp-A3': Zr 0.006	model	[2] (ed.) 1998	Table I, p. 251, row 3 report

Other properties

Mixing / partial (19)

Mixing / partial, Mg–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: enthalpy of mixing	3.758 kJ/mol (basis unstated) ± 1	0	bcc alloy: Mg 0.75, Zr 0.25	DFT	[1] Arroyave 2005	Table 2, p. 5, row 3 report
Enthalpy of mixing printed: enthalpy of mixing	4.254 kJ/mol (basis unstated) ± 1	0	bcc alloy: Mg 0.25, Zr 0.75	DFT	[1] Arroyave 2005	Table 2, p. 5, row 5 report
Enthalpy of mixing printed: enthalpy of mixing	4.951 kJ/mol (basis unstated) ± 1	0	bcc alloy: Mg 0.5, Zr 0.5	DFT	[1] Arroyave 2005	Table 2, p. 5, row 4 report
Enthalpy of mixing printed: enthalpy of mixing	1.483 kJ/mol (basis unstated) ± 1	0	bcc alloy: Mg 0.015625, Zr 0.984375	DFT	[1] Arroyave 2005	Table 2, p. 5, row 7 report
Enthalpy of mixing printed: enthalpy of mixing	0.313 kJ/mol (basis unstated) ± 1	0	bcc alloy: Mg 0.984375, Zr 0.015625	DFT	[1] Arroyave 2005	Table 2, p. 5, row 1 report
Enthalpy of mixing printed: enthalpy of mixing	6.711 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.75, Zr 0.25	DFT	[1] Arroyave 2005	Table 2, p. 5, row 3 report
Enthalpy of mixing printed: enthalpy of mixing	4.233 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.25, Zr 0.75	DFT	[1] Arroyave 2005	Table 2, p. 5, row 5 report
Enthalpy of mixing printed: enthalpy of mixing	6.969 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.5, Zr 0.5	DFT	[1] Arroyave 2005	Table 2, p. 5, row 4 report
Enthalpy of mixing printed: enthalpy of mixing	1.324 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.018519, Zr 0.981481	DFT	[1] Arroyave 2005	Table 2, p. 5, row 6 report
Enthalpy of mixing printed: enthalpy of mixing	6.711 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.75, Zr 0.25	DFT	[1] Arroyave 2005	Table 2, p. 5, row 8 report
Enthalpy of mixing printed: enthalpy of mixing	0.856 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.981481, Zr 0.018519	DFT	[1] Arroyave 2005	Table 2, p. 5, row 2 report
Enthalpy of mixing printed: enthalpy of mixing	6.969 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.5, Zr 0.5	DFT	[1] Arroyave 2005	Table 2, p. 5, row 9 report
Enthalpy of mixing printed: enthalpy of mixing	4.233 kJ/mol (basis unstated) ± 1	0	hcp alloy: Mg 0.25, Zr 0.75	DFT	[1] Arroyave 2005	Table 2, p. 5, row 10 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	-15.738 kJ/mol (basis unstated)		bcc	model	[1] Arroyave 2005 cites Hamalainen 1998 doi	Table 3, p. 7, row 4 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	19.512 kJ/mol (basis unstated)		bcc	model	[1] Arroyave 2005	Table 3, p. 7, row 3 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	40.147 kJ/mol (basis unstated)		hcp	model	[1] Arroyave 2005 cites Hamalainen 1998 doi	Table 3, p. 7, row 6 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	48.973 kJ/mol (basis unstated)		hcp	model	[1] Arroyave 2005	Table 3, p. 7, row 5 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	4.961 kJ/mol (basis unstated)		liquid	model	[1] Arroyave 2005	Table 3, p. 7, row 1 report
Partial enthalpy printed: enthalpy of mixing at infinite dilution	7.363 kJ/mol (basis unstated)		liquid	model	[1] Arroyave 2005 cites Hamalainen 1998 doi	Table 3, p. 7, row 2 report

Heat capacity / entropy / enthalpy (2)

Heat capacity / entropy / enthalpy, Mg–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Heat capacity printed: Heat capacity Cp	0.972 J/g/K	298.15	UNKNOWN alloy: Mg 0.991, Zr 0.001	experimental	[3] Zhu 2018	Table 5, p. 11, row 2 report
Heat capacity printed: Heat capacity Cp	0.991 J/g/K	298.15	UNKNOWN alloy: Mg 0.997, Zr 0.001	experimental	[3] Zhu 2018	Table 5, p. 11, row 1 report

Sources

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

R. Arroyave, D. Shin, Z.K. Liu, Modification of the thermodynamic model for the Mg–Zr system, Calphad 29, 230-238 (2005). doi:10.1016/j.calphad.2005.07.004
I. Ansara, A. T. Dinsdale, M. H. Rand (eds.), COST 507: Thermochemical database for light metal alloys, Volume 2, EUR 18499 EN, Office for Official Publications of the European Communities, Luxembourg (1998), ISBN 92-828-3902-8.
Wen-Fei Zhu, Qun Luo, Jie-Yu Zhang, Qian Li, Phase equilibria of Mg-La-Zr system and thermal conductivity of selected alloys, Journal of Alloys and Compounds 731, 784-795 (2018). doi:10.1016/j.jallcom.2017.10.013

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}
}