Mg system

70 accepted literature values from 10 paper(s) (experimental 6, model 5, DFT 49, unspecified 10); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	6
model	5
DFT	49
unspecified	10

Accepted values by property group
Property group	Values
phase transition	3
formation	5
crystal structure	60
other property	2

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 system (5)
Phase	Value	Class	Source	Location
Hcp-Mg	0 kJ/mol-atom	unspecified	[1] Zhong 2006	Table 2, p. 4, row 1 report
Mg-hcp	0 kJ/mol-atom	DFT	[2] Zhou 2007	Table 1, p. 4, row 2 report
Mg2Mg-C14	7.7909 kJ/mol-atom	unspecified	[1] Zhong 2006	Table 2, p. 4, row 5 report
hcp-Mg	0 kJ/mol-atom	DFT	[3] Zhong 2005	Table 3, p. 4, row 15 report
γ-Mg5Mg12Mg12	4.806 kJ/mol-atom	DFT	[3] Zhong 2005	Table 3, p. 4, row 9 report

Other properties

Phase transition (3)

Phase transition, Mg system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	878 K	878	congruent melting: L -> Mg-hcp L: Mg 1	unspecified	[4] ISLAM 2005 cites ref. 14	Table II, p. 5, row 1 report
Phase transition	923 K	923	congruent melting: L -> Mg-hcp L: Mg 1	unspecified	[4] ISLAM 2005 cites ref. 15	Table II, p. 5, row 2 report
Phase transition	923 K	923	congruent melting: L -> Mg-hcp L: Mg 1	model	[4] ISLAM 2005	Table II, p. 5, row 4 report

Crystal structure (60)

Crystal structure, Mg system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	4.154 Å	0	FCC_A1(Mg) alloy: Mg 1	DFT	[5] Dębski 2022	Table 3, p. 6, row 1 report
Lattice a printed: a	3.177 Å	0	Hcp-Mg alloy: Mg 1	unspecified	[1] Zhong 2006	Table 2, p. 4, row 1 report
Lattice a	3.189 Å		Mg alloy: Mg 1	DFT	[6] Tao 2008 cites Wang 2004 doi	Table 1, p. 2, row 2 report
Lattice a	3.1946 Å	0	Mg alloy: Mg 1	DFT	[6] Tao 2008	Table 1, p. 2, row 1 report
Lattice a	3.2092 Å		Mg alloy: Mg 1	DFT	[6] Tao 2008 cites Okamoto 1988	Table 1, p. 2, row 3 report
Lattice a printed: a	5.829 Å	0	Mg2Mg-C14 alloy: Mg 1	unspecified	[1] Zhong 2006	Table 2, p. 4, row 5 report
Lattice a printed: a	4.513 Å	0	fcc alloy: Mg 1	DFT	[3] Zhong 2005	Table 1, p. 3, row 8 report
Lattice a printed: a	3.177 Å	0	hcp alloy: Mg 1	DFT	[3] Zhong 2005	Table 1, p. 3, row 16 report
Lattice a printed: a	3.177 Å	0	hcp-Mg alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 15 report
Lattice a printed: a	11.032 Å	0	γ-Mg5Mg12Mg12 alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 9 report
Lattice a	3.502 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 34 report
Lattice a	3.5 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 42 report
Lattice a	3.502 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 9 report
Lattice a	3.5 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 24 report
Lattice a	3.559 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 43 report
Lattice a	3.576 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 35 report
Lattice a	3.576 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 10 report
Lattice a	3.559 Å	2	bcc (A2) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 25 report
Lattice a	4.429 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 7 report
Lattice a	4.522 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 33 report
Lattice a	4.513 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 41 report
Lattice a	4.424 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 22 report
Lattice a	4.522 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 8 report
Lattice a	4.513 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 23 report
Lattice a	4.424 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 40 report
Lattice a	4.429 Å	2	fcc (A1) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 32 report
Lattice a	3.112 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 26 report
Lattice a	3.193 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 12 report
Lattice a	3.209 Å	2	hcp (A3) alloy: Mg 1	experimental	[7] Zhong 2006 cites King 1981 doi	Table 1, p. 4, row 13 report
Lattice a	3.177 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 27 report
Lattice a	3.128 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 11 report
Lattice a	3.213 Å	298.15	hcp-Mg alloy: Mg 1	experimental	[8] Zhou 2014 cites Villars 2004 doi	Table 2, p. 4, row 1 report
Lattice a	3.189 Å	298.15	hcp-Mg alloy: Mg 1	DFT	[8] Zhou 2014 cites Wang 2004 doi	Table 2, p. 4, row 2 report
Lattice a	3.219 Å	298.15	hcp-Mg alloy: Mg 1	DFT	[8] Zhou 2014	Table 2, p. 4, row 3 report
Lattice a	3.2094 Å	650 (<)	(Mg) alloy: Mg 1	unspecified	[9] Kozlov 2008	Table 1, p. 4, row 3 report
Lattice a	3.2089 Å	923.15 (<)	(Mg) alloy: Mg 1	model	[10] Wang 2011 cites Ghosh 2005	Table 1, p. 3, row 3 report
Lattice b printed: b	3.177 Å	0	hcp-Mg alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 15 report
Lattice b printed: b	11.032 Å	0	γ-Mg5Mg12Mg12 alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 9 report
Lattice c printed: c	5.172 Å	0	Hcp-Mg alloy: Mg 1	unspecified	[1] Zhong 2006	Table 2, p. 4, row 1 report
Lattice c	5.169 Å		Mg alloy: Mg 1	DFT	[6] Tao 2008 cites Wang 2004 doi	Table 1, p. 2, row 2 report
Lattice c	5.1804 Å	0	Mg alloy: Mg 1	DFT	[6] Tao 2008	Table 1, p. 2, row 1 report
Lattice c	5.2105 Å		Mg alloy: Mg 1	DFT	[6] Tao 2008 cites Okamoto 1988	Table 1, p. 2, row 3 report
Lattice c printed: c	9.628 Å	0	Mg2Mg-C14 alloy: Mg 1	unspecified	[1] Zhong 2006	Table 2, p. 4, row 5 report
Lattice c printed: c	5.172 Å	0	hcp alloy: Mg 1	DFT	[3] Zhong 2005	Table 1, p. 3, row 16 report
Lattice c printed: c	5.172 Å	0	hcp-Mg alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 15 report
Lattice c printed: c	11.032 Å	0	γ-Mg5Mg12Mg12 alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 9 report
Lattice c	5.075 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 26 report
Lattice c	5.184 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 12 report
Lattice c	5.211 Å	2	hcp (A3) alloy: Mg 1	experimental	[7] Zhong 2006 cites King 1981 doi	Table 1, p. 4, row 13 report
Lattice c	5.172 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 27 report
Lattice c	5.104 Å	2	hcp (A3) alloy: Mg 1	DFT	[7] Zhong 2006	Table 1, p. 4, row 11 report
Lattice c	5.213 Å	298.15	hcp-Mg alloy: Mg 1	experimental	[8] Zhou 2014 cites Villars 2004 doi	Table 2, p. 4, row 1 report
Lattice c	5.169 Å	298.15	hcp-Mg alloy: Mg 1	DFT	[8] Zhou 2014 cites Wang 2004 doi	Table 2, p. 4, row 2 report
Lattice c	5.099 Å	298.15	hcp-Mg alloy: Mg 1	DFT	[8] Zhou 2014	Table 2, p. 4, row 3 report
Lattice c	5.2107 Å	650 (<)	(Mg) alloy: Mg 1	unspecified	[9] Kozlov 2008	Table 1, p. 4, row 3 report
Lattice c	5.2101 Å	923.15 (<)	(Mg) alloy: Mg 1	model	[10] Wang 2011 cites Ghosh 2005	Table 1, p. 3, row 3 report
lattice unspecified axis printed: a = b	3.177 Å	0	hcp-Mg alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 15 report
lattice unspecified axis printed: a = b = c	11.032 Å	0	γ-Mg5Mg12Mg12 alloy: Mg 1	DFT	[3] Zhong 2005	Table 3, p. 4, row 9 report
volume printed: V	22.5 Å3/atom		hcp-Mg	experimental	[8] Zhou 2014 cites Errandonea 2003 doi	Table 3, p. 4, row 2 report
volume printed: V	22.885 Å3/atom	0	hcp-Mg	model	[8] Zhou 2014	Table 3, p. 4, row 1 report

Other property (2)

Other property, Mg system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
bulk modulus printed: B	36.8 GPa		hcp-Mg	experimental	[8] Zhou 2014 cites Errandonea 2003 doi	Table 3, p. 4, row 2 report
bulk modulus printed: B	36.18 GPa	0	hcp-Mg	model	[8] Zhou 2014	Table 3, p. 4, row 1 report

Sources

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

Yu Zhong, Jorge O. Sofo, Alan A. Luo, Zi-Kui Liu, Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems, Journal of Alloys and Compounds 421, 172-178 (2006). doi:10.1016/j.jallcom.2005.09.076
Shihuai Zhou, Yi Wang, Frank G. Shi, Ferdinand Sommer, Long-Qing Chen, Zi-Kui Liu et al., Modeling of Thermodynamic Properties and Phase Equilibria for the Cu-Mg Binary System, J Phs Eqil and Diff 28, 158-166 (2007). doi:10.1007/s11669-007-9022-0
Yu Zhong, Mei Yang, Zi-Kui Liu, Contribution of first-principles energetics to Al–Mg thermodynamic modeling, Calphad 29, 303-311 (2005). doi:10.1016/j.calphad.2005.08.004
F. ISLAM, M. MEDRAJ, THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM, Canadian Metallurgical Quarterly 44, 523-536 (2005). doi:10.1179/cmq.2005.44.4.523
A. Dębski, W. Gierlotka, W. Gąsior, Calorimetric studies and thermodynamic calculations of the Ag-Mg system, Journal of Alloys and Compounds 891, 161937 (2022). doi:10.1016/j.jallcom.2021.161937
X.M. Tao, H. Wang, W.J. Zhu, H.S. Liu, Y.F. Ouyang, Z.P. Jin, Thermodynamic description of the Mg–Eu binary system, Calphad 32, 462-465 (2008). doi:10.1016/j.calphad.2008.07.003
Yu Zhong, Koray Ozturk, Jorge O. Sofo, Zi-Kui Liu, Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling, Journal of Alloys and Compounds 420, 98-106 (2006). doi:10.1016/j.jallcom.2005.10.033
Bi-Cheng Zhou, Shun-Li Shang, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems, Calphad 46, 237-248 (2014). doi:10.1016/j.calphad.2014.04.003
A. Kozlov, M. Ohno, R. Arroyave, Z.K. Liu, R. Schmid-Fetzer, Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system, Intermetallics 16, 299-315 (2008). doi:10.1016/j.intermet.2007.10.010
Peisheng Wang, Yong Du, Shuhong Liu, Thermodynamic optimization of the Li–Mg and Al–Li–Mg systems, Calphad 35, 523-532 (2011). doi:10.1016/j.calphad.2011.09.003

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 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_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}
}